 
data_eric047_sq 
  
_audit_creation_method            'SHELXL-2017/1' 
_shelx_SHELXL_version_number      '2017/1' 
_chemical_name_systematic         ? 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C23.67 H22 Cu2 O12' 
_chemical_formula_weight          625.49 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0181   0.0091 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0492   0.0322 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cu'  'Cu'  -1.9646   0.5888 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_space_group_crystal_system       monoclinic 
_space_group_IT_number            14 
_space_group_name_H-M_alt         'P 21/c' 
_space_group_name_Hall            '-P 2ybc' 
  
_shelx_space_group_comment 
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
; 
  
loop_ 
 _space_group_symop_operation_xyz 
 'x, y, z' 
 '-x, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x, -y-1/2, z-1/2' 
  
_cell_length_a                    15.8733(3) 
_cell_length_b                    18.3788(4) 
_cell_length_c                    32.3346(7) 
_cell_angle_alpha                 90 
_cell_angle_beta                  93.2461(12) 
_cell_angle_gamma                 90 
_cell_volume                      9417.9(3) 
_cell_formula_units_Z             12 
_cell_measurement_temperature     200(2) 
_cell_measurement_reflns_used     9846 
_cell_measurement_theta_min       2.77 
_cell_measurement_theta_max       66.73 
  
_exptl_crystal_description        plate 
_exptl_crystal_colour             green 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     ? 
_exptl_crystal_density_diffrn     1.323 
_exptl_crystal_F_000              3816 
_exptl_transmission_factor_min    ? 
_exptl_transmission_factor_max    ? 
_exptl_crystal_size_max           0.295 
_exptl_crystal_size_mid           0.189 
_exptl_crystal_size_min           0.100 
_exptl_absorpt_coefficient_mu     2.132 
_shelx_estimated_absorpt_T_min    0.572 
_shelx_estimated_absorpt_T_max    0.815 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.6312  
_exptl_absorpt_correction_T_max   0.7528 
_exptl_absorpt_process_details    'APEX3 (Bruker, 2015)' 
_exptl_absorpt_special_details    ? 
_diffrn_ambient_temperature       200(2) 
_diffrn_radiation_wavelength      1.54178 
_diffrn_radiation_type            CuK\a 
_diffrn_source                    ? 
_diffrn_measurement_device_type   'Bruker AXS APEX diffractometer' 
_diffrn_measurement_method        'φ and ω scans' 
_diffrn_detector_area_resol_mean  8.33 
_diffrn_reflns_number             91824 
_diffrn_reflns_av_unetI/netI      0.0533 
_diffrn_reflns_av_R_equivalents   0.0603 
_diffrn_reflns_limit_h_min        -18 
_diffrn_reflns_limit_h_max        18 
_diffrn_reflns_limit_k_min        -21 
_diffrn_reflns_limit_k_max        21 
_diffrn_reflns_limit_l_min        -38 
_diffrn_reflns_limit_l_max        38 
_diffrn_reflns_theta_min          2.737 
_diffrn_reflns_theta_max          66.767 
_diffrn_reflns_theta_full         66.767 
_diffrn_measured_fraction_theta_max   0.989 
_diffrn_measured_fraction_theta_full  0.989 
_diffrn_reflns_Laue_measured_fraction_max    0.989 
_diffrn_reflns_Laue_measured_fraction_full   0.989 
_diffrn_reflns_point_group_measured_fraction_max   0.989 
_diffrn_reflns_point_group_measured_fraction_full  0.989 
_reflns_number_total              16504 
_reflns_number_gt                 11810 
_reflns_threshold_expression      'I > 2σ(I)' 
_reflns_Friedel_coverage          0.000 
_reflns_Friedel_fraction_max      . 
_reflns_Friedel_fraction_full     . 
  
_reflns_special_details 
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 Structure factors included contributions from the .fab file. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
; 
  
_computing_data_collection        'Bruker APEX2' 
_computing_cell_refinement        'Bruker SAINT' 
_computing_data_reduction         'Bruker SAINT' 
_computing_structure_solution     'SHELXS-97 (Sheldrick 2008)' 
_computing_structure_refinement 'SHELXL-2017/1 (Sheldrick, 2017)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 
_refine_special_details           
;
Formula represents only atoms that can be assigned and 
H-atoms that could be placed in calculated positions. 
Remaining electron density was treated as diffused 
contributions.
;
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
'w=1/[σ²(Fo²)+(0.1247P)²+37.0149P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      ? 
_atom_sites_solution_secondary    ? 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        . 
_refine_ls_number_reflns          16504 
_refine_ls_number_parameters      1045 
_refine_ls_number_restraints      483 
_refine_ls_R_factor_all           0.0990 
_refine_ls_R_factor_gt            0.0757 
_refine_ls_wR_factor_ref          0.2408 
_refine_ls_wR_factor_gt           0.2149 
_refine_ls_goodness_of_fit_ref    1.027 
_refine_ls_restrained_S_all       1.086 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_site_symmetry_order 
 _atom_site_calc_flag 
 _atom_site_refinement_flags_posn 
 _atom_site_refinement_flags_adp 
 _atom_site_refinement_flags_occupancy 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Cu1 Cu 0.71305(5) 0.49744(4) 0.47026(2) 0.0258(2) Uani 1 1 d . . . . . 
Cu2 Cu 0.84876(5) 0.50025(4) 0.52142(2) 0.02432(19) Uani 1 1 d . . . . . 
Cu3 Cu 0.71877(5) 0.27845(4) 0.25872(2) 0.0261(2) Uani 1 1 d . . . . . 
Cu4 Cu 0.85278(4) 0.20396(4) 0.23847(2) 0.02455(19) Uani 1 1 d . . . . . 
Cu5 Cu 0.71348(5) 0.70213(4) 0.24934(2) 0.0267(2) Uani 1 1 d . . . . . 
Cu6 Cu 0.84782(4) 0.77659(4) 0.22979(2) 0.02470(19) Uani 1 1 d . . . . . 
O1_1 O 0.7723(3) 0.4179(2) 0.44354(12) 0.0410(10) Uani 1 1 d . . . . . 
O2_1 O 0.8884(2) 0.4209(2) 0.48606(11) 0.0379(9) Uani 1 1 d . . . . . 
O3_1 O 0.7769(3) 0.2882(2) 0.31297(12) 0.0403(10) Uani 1 1 d . . . . . 
O4_1 O 0.8924(2) 0.2273(2) 0.29672(11) 0.0391(9) Uani 1 1 d . . . . . 
C1_1 C 0.8457(4) 0.3976(3) 0.45492(15) 0.0315(12) Uani 1 1 d . . . . . 
C2_1 C 0.8866(4) 0.3421(3) 0.42833(16) 0.0339(12) Uani 1 1 d . . . . . 
C3_1 C 0.9640(4) 0.3120(3) 0.44119(17) 0.0380(13) Uani 1 1 d . . . . . 
H3_1 H 0.990123 0.324379 0.467410 0.046 Uiso 1 1 calc R U . . . 
C4_1 C 1.0034(4) 0.2631(3) 0.41505(18) 0.0385(13) Uani 1 1 d . . . . . 
C5_1 C 0.9666(4) 0.2477(3) 0.37618(17) 0.0367(13) Uani 1 1 d . . . . . 
H5_1 H 0.994079 0.215977 0.358028 0.044 Uiso 1 1 calc R U . . . 
C6_1 C 0.8893(4) 0.2788(3) 0.36377(16) 0.0335(12) Uani 1 1 d . . . . . 
C7_1 C 0.8487(4) 0.3249(3) 0.38990(17) 0.0354(12) Uani 1 1 d . . . . . 
H7_1 H 0.795104 0.344724 0.381588 0.042 Uiso 1 1 calc R U . . . 
C8_1 C 0.8504(3) 0.2631(3) 0.32105(16) 0.0314(12) Uani 1 1 d . . . . . 
O5_1 O 1.0772(3) 0.2312(3) 0.42794(15) 0.0560(12) Uani 1 1 d D . . . . 
C9A_1 C 1.1195(8) 0.2430(8) 0.4644(4) 0.0644(18) Uani 0.517(7) 1 d D U P A 1 
H9A_1 H 1.082076 0.233603 0.487303 0.077 Uiso 0.517(7) 1 calc R U P A 1 
H9B_1 H 1.138150 0.294326 0.466194 0.077 Uiso 0.517(7) 1 calc R U P A 1 
C10A_1 C 1.1961(9) 0.1928(7) 0.4686(5) 0.0671(17) Uani 0.517(7) 1 d D U P A 1 
H10A_1 H 1.234586 0.208301 0.447265 0.080 Uiso 0.517(7) 1 calc R U P A 1 
H10B_1 H 1.225207 0.203951 0.495791 0.080 Uiso 0.517(7) 1 calc R U P A 1 
C11A_1 C 1.1902(10) 0.1112(9) 0.4659(7) 0.0701(19) Uani 0.517(7) 1 d D U P A 1 
H11A_1 H 1.172362 0.097201 0.437120 0.084 Uiso 0.517(7) 1 calc R U P A 1 
H11B_1 H 1.146642 0.093824 0.484242 0.084 Uiso 0.517(7) 1 calc R U P A 1 
C12A_1 C 1.2739(10) 0.0745(11) 0.4782(7) 0.076(2) Uani 0.517(7) 1 d D U P A 1 
H12A_1 H 1.320316 0.103690 0.468249 0.114 Uiso 0.517(7) 1 calc R U P A 1 
H12B_1 H 1.275035 0.025891 0.465743 0.114 Uiso 0.517(7) 1 calc R U P A 1 
H12C_1 H 1.280153 0.070296 0.508385 0.114 Uiso 0.517(7) 1 calc R U P A 1 
C9B_1 C 1.1181(9) 0.1827(8) 0.4062(5) 0.0644(18) Uani 0.483(7) 1 d D . P A 2 
H9C_1 H 1.136420 0.206038 0.380598 0.077 Uiso 0.483(7) 1 calc R U P A 2 
H9D_1 H 1.079136 0.142521 0.397921 0.077 Uiso 0.483(7) 1 calc R U P A 2 
C10B_1 C 1.1950(9) 0.1515(9) 0.4304(5) 0.0671(17) Uani 0.483(7) 1 d D . P A 2 
H10C_1 H 1.229906 0.122917 0.411815 0.080 Uiso 0.483(7) 1 calc R U P A 2 
H10D_1 H 1.229992 0.191130 0.442951 0.080 Uiso 0.483(7) 1 calc R U P A 2 
C11B_1 C 1.1620(11) 0.1029(11) 0.4638(7) 0.0701(19) Uani 0.483(7) 1 d D . P A 2 
H11C_1 H 1.117222 0.070335 0.452004 0.084 Uiso 0.483(7) 1 calc R U P A 2 
H11D_1 H 1.138375 0.132696 0.485908 0.084 Uiso 0.483(7) 1 calc R U P A 2 
C12B_1 C 1.2371(11) 0.0586(11) 0.4813(7) 0.076(2) Uani 0.483(7) 1 d D . P A 2 
H12E_1 H 1.264805 0.084560 0.504776 0.114 Uiso 0.483(7) 1 calc R U P A 2 
H12F_1 H 1.277337 0.051660 0.459714 0.114 Uiso 0.483(7) 1 calc R U P A 2 
H12G_1 H 1.217457 0.011080 0.490549 0.114 Uiso 0.483(7) 1 calc R U P A 2 
O1_2 O 0.7732(3) 0.5670(2) 0.43710(12) 0.0420(10) Uani 1 1 d . . . . . 
O2_2 O 0.8873(3) 0.5711(2) 0.48035(11) 0.0399(9) Uani 1 1 d . . . . . 
O3_2 O 0.7734(2) 0.6924(2) 0.30339(11) 0.0392(9) Uani 1 1 d . . . . . 
O4_2 O 0.8908(3) 0.7491(2) 0.28591(12) 0.0431(10) Uani 1 1 d . . . . . 
C1_2 C 0.8455(4) 0.5885(3) 0.44773(16) 0.0327(12) Uani 1 1 d . . . . . 
C2_2 C 0.8879(4) 0.6381(3) 0.41871(17) 0.0354(8) Uani 1 1 d . U . . . 
C3_2 C 0.9679(4) 0.6650(3) 0.42925(18) 0.0395(8) Uani 1 1 d . U . . . 
H3_2 H 0.995341 0.652912 0.455205 0.047 Uiso 1 1 calc R U . . . 
C4_2 C 1.0081(4) 0.7100(4) 0.4015(2) 0.0453(8) Uani 1 1 d . U . . . 
C5_2 C 0.9692(4) 0.7255(3) 0.36300(18) 0.0402(8) Uani 1 1 d . U . . . 
H5_2 H 0.996967 0.755111 0.343904 0.048 Uiso 1 1 calc R U . . . 
C6_2 C 0.8898(4) 0.6977(3) 0.35249(17) 0.0365(8) Uani 1 1 d . U . . . 
C7_2 C 0.8479(4) 0.6550(3) 0.38043(16) 0.0354(8) Uani 1 1 d . U . . . 
H7_2 H 0.792523 0.637569 0.373449 0.042 Uiso 1 1 calc R U . . . 
C8_2 C 0.8472(4) 0.7146(3) 0.31089(17) 0.0341(12) Uani 1 1 d . . . . . 
O5_2 O 1.0869(3) 0.7371(3) 0.41080(15) 0.0576(9) Uani 1 1 d D U . . . 
C9A_2 C 1.1186(8) 0.7501(7) 0.4494(4) 0.0618(12) Uani 0.597(8) 1 d D U P B 1 
H9A_2 H 1.180510 0.756599 0.449230 0.074 Uiso 0.597(8) 1 calc R U P B 1 
H9B_2 H 1.107297 0.707979 0.467381 0.074 Uiso 0.597(8) 1 calc R U P B 1 
C10A_2 C 1.0765(9) 0.8220(8) 0.4676(5) 0.080(2) Uani 0.597(8) 1 d D U P B 1 
H10A_2 H 1.098926 0.830240 0.496043 0.120 Uiso 0.597(8) 1 calc R U P B 1 
H10B_2 H 1.015188 0.815741 0.467310 0.120 Uiso 0.597(8) 1 calc R U P B 1 
H10C_2 H 1.089786 0.863979 0.450383 0.120 Uiso 0.597(8) 1 calc R U P B 1 
C9B_2 C 1.1136(12) 0.8015(8) 0.4011(6) 0.0618(12) Uani 0.403(8) 1 d D . P B 2 
H9C_2 H 1.100905 0.808869 0.371023 0.074 Uiso 0.403(8) 1 calc R U P B 2 
H9D_2 H 1.175793 0.802245 0.405825 0.074 Uiso 0.403(8) 1 calc R U P B 2 
C10B_2 C 1.0744(14) 0.8718(11) 0.4261(7) 0.080(2) Uani 0.403(8) 1 d D . P B 2 
H10D_2 H 1.079524 0.916025 0.409551 0.120 Uiso 0.403(8) 1 calc R U P B 2 
H10E_2 H 1.105845 0.877885 0.452864 0.120 Uiso 0.403(8) 1 calc R U P B 2 
H10F_2 H 1.014828 0.862736 0.430702 0.120 Uiso 0.403(8) 1 calc R U P B 2 
O1_3 O 0.6709(2) 0.4282(2) 0.51051(11) 0.0395(9) Uani 1 1 d . . . . . 
O2_3 O 0.7869(2) 0.4290(2) 0.55344(12) 0.0383(9) Uani 1 1 d . . . . . 
O3_3 O 0.6719(2) 0.2416(2) 0.70279(11) 0.0392(9) Uani 1 1 d . . . . . 
O4_3 O 0.7862(2) 0.3020(2) 0.68506(11) 0.0362(9) Uani 1 1 d . . . . . 
C1_3 C 0.7122(3) 0.4097(3) 0.54328(16) 0.0312(12) Uani 1 1 d . . . . . 
C2_3 C 0.6689(4) 0.3614(3) 0.57269(17) 0.0349(12) Uani 1 1 d . . . . . 
C3_3 C 0.5849(4) 0.3423(4) 0.56416(19) 0.0476(16) Uani 1 1 d . . . . . 
H3_3 H 0.555690 0.358947 0.539502 0.057 Uiso 1 1 calc R U . . . 
C4_3 C 0.5439(4) 0.2987(4) 0.5920(2) 0.0492(17) Uani 1 1 d . . . . . 
C5_3 C 0.5864(4) 0.2763(4) 0.62857(19) 0.0448(15) Uani 1 1 d . . . . . 
H5_3 H 0.558334 0.246974 0.647703 0.054 Uiso 1 1 calc R U . . . 
C6_3 C 0.6694(4) 0.2966(3) 0.63711(17) 0.0336(12) Uani 1 1 d . . . . . 
C7_3 C 0.7118(3) 0.3382(3) 0.60898(16) 0.0322(12) Uani 1 1 d . . . . . 
H7_3 H 0.769443 0.350712 0.614528 0.039 Uiso 1 1 calc R U . . . 
C8_3 C 0.7126(3) 0.2785(3) 0.67799(16) 0.0305(12) Uani 1 1 d . . . . . 
O5_3 O 0.4618(3) 0.2825(3) 0.58023(16) 0.0702(16) Uani 1 1 d . . . . . 
C9_3 C 0.4139(5) 0.2386(5) 0.6065(2) 0.064(2) Uani 1 1 d . . . . . 
H9A_3 H 0.406351 0.264065 0.633012 0.077 Uiso 1 1 calc R U . . . 
H9B_3 H 0.443659 0.192118 0.612610 0.077 Uiso 1 1 calc R U . . . 
C10_3 C 0.3302(4) 0.2241(4) 0.5849(2) 0.0577(18) Uani 1 1 d . . . . . 
H10A_3 H 0.338596 0.199643 0.558168 0.069 Uiso 1 1 calc R U . . . 
H10B_3 H 0.301082 0.270853 0.578958 0.069 Uiso 1 1 calc R U . . . 
C11_3 C 0.2750(5) 0.1762(4) 0.6110(2) 0.0621(19) Uani 1 1 d . . . . . 
H11A_3 H 0.304252 0.129556 0.617258 0.074 Uiso 1 1 calc R U . . . 
H11B_3 H 0.265854 0.200832 0.637637 0.074 Uiso 1 1 calc R U . . . 
C12_3 C 0.1908(5) 0.1612(4) 0.5885(3) 0.070(2) Uani 1 1 d . . . . . 
H12A_3 H 0.165661 0.207200 0.578663 0.105 Uiso 1 1 calc R U . . . 
H12B_3 H 0.153195 0.137659 0.607469 0.105 Uiso 1 1 calc R U . . . 
H12C_3 H 0.198949 0.129168 0.564885 0.105 Uiso 1 1 calc R U . . . 
O1_4 O 0.6730(2) 0.5770(2) 0.50486(12) 0.0415(10) Uani 1 1 d . . . . . 
O2_4 O 0.7874(2) 0.5780(2) 0.54848(12) 0.0386(9) Uani 1 1 d . . . . . 
O3_4 O 0.6706(2) 0.7786(2) 0.69183(12) 0.0399(9) Uani 1 1 d . . . . . 
O4_4 O 0.7819(3) 0.7112(2) 0.67707(12) 0.0397(10) Uani 1 1 d . . . . . 
C1_4 C 0.7152(4) 0.5995(3) 0.53658(16) 0.0323(12) Uani 1 1 d . . . . . 
C2_4 C 0.6754(4) 0.6563(4) 0.5620(2) 0.0543(10) Uani 1 1 d . U . . . 
C3_4 C 0.6033(5) 0.6921(4) 0.5467(2) 0.0646(11) Uani 1 1 d . U . . . 
H3_4 H 0.578180 0.680025 0.520232 0.078 Uiso 1 1 calc R U . . . 
C4_4 C 0.5686(5) 0.7454(5) 0.5704(2) 0.0739(10) Uani 1 1 d D U . . . 
C5_4 C 0.6017(5) 0.7610(4) 0.6106(2) 0.0643(11) Uani 1 1 d . U . . . 
H5_4 H 0.575071 0.795472 0.627431 0.077 Uiso 1 1 calc R U . . . 
C6_4 C 0.6741(4) 0.7249(4) 0.6252(2) 0.0539(10) Uani 1 1 d . U . . . 
C7_4 C 0.7123(4) 0.6744(4) 0.60051(19) 0.0502(10) Uani 1 1 d . U . . . 
H7_4 H 0.763820 0.652154 0.609980 0.060 Uiso 1 1 calc R U . . . 
C8_4 C 0.7116(3) 0.7401(3) 0.66837(17) 0.0322(12) Uani 1 1 d . . . . . 
O5_4 O 0.4991(4) 0.7862(4) 0.5571(2) 0.0955(12) Uani 1 1 d . U . . . 
C9_4 C 0.4575(7) 0.7675(6) 0.5187(3) 0.1091(14) Uani 1 1 d D U . . . 
H9A_4 H 0.436023 0.716956 0.519815 0.131 Uiso 1 1 calc R U . . . 
H9B_4 H 0.497493 0.770381 0.496348 0.131 Uiso 1 1 calc R U . . . 
C10_4 C 0.3816(8) 0.8219(6) 0.5094(4) 0.1185(17) Uani 1 1 d D U . . . 
H10A_4 H 0.349604 0.831327 0.534240 0.142 Uiso 1 1 calc R U . . . 
H10B_4 H 0.342682 0.804668 0.486431 0.142 Uiso 1 1 calc R U . . . 
C11_4 C 0.4366(8) 0.8932(7) 0.4961(4) 0.135(2) Uani 1 1 d D U . . . 
H11A_4 H 0.477273 0.906115 0.518834 0.203 Uiso 1 1 calc R U . . . 
H11B_4 H 0.398433 0.934310 0.490193 0.203 Uiso 1 1 calc R U . . . 
H11C_4 H 0.466835 0.881718 0.471310 0.203 Uiso 1 1 calc R U . . . 
O1_5 O 0.7858(3) 0.3588(2) 0.23768(14) 0.0425(10) Uani 1 1 d . . . . . 
O2_5 O 0.8999(2) 0.29648(19) 0.22051(13) 0.0375(9) Uani 1 1 d . . . . . 
O3_5 O 0.7761(2) 0.61859(19) 0.22978(13) 0.0380(9) Uani 1 1 d . . . . . 
O4_5 O 0.8882(3) 0.68156(19) 0.21059(14) 0.0413(10) Uani 1 1 d . . . . . 
C1_5 C 0.8575(3) 0.3540(3) 0.22340(16) 0.0290(11) Uani 1 1 d . . . . . 
C2_5 C 0.8961(4) 0.4240(3) 0.20956(17) 0.0327(12) Uani 1 1 d . . . . . 
C3_5 C 0.9717(4) 0.4241(3) 0.19065(18) 0.0386(13) Uani 1 1 d . . . . . 
H3_5 H 1.000192 0.379465 0.186418 0.046 Uiso 1 1 calc R U . . . 
C4_5 C 1.0069(4) 0.4896(3) 0.1776(2) 0.0401(14) Uani 1 1 d . . . . . 
C5_5 C 0.9665(4) 0.5545(3) 0.18568(18) 0.0376(13) Uani 1 1 d . . . . . 
H5_5 H 0.990342 0.599504 0.177837 0.045 Uiso 1 1 calc R U . . . 
C6_5 C 0.8904(4) 0.5534(3) 0.20541(17) 0.0325(12) Uani 1 1 d . . . . . 
C7_5 C 0.8546(4) 0.4885(3) 0.21658(17) 0.0317(12) Uani 1 1 d . . . . . 
H7_5 H 0.801858 0.488203 0.229035 0.038 Uiso 1 1 calc R U . . . 
C8_5 C 0.8478(4) 0.6233(3) 0.21594(16) 0.0310(12) Uani 1 1 d . . . . . 
O5_5 O 1.0797(3) 0.4846(2) 0.15778(17) 0.0590(11) Uani 1 1 d . U . . . 
C9_5 C 1.1172(5) 0.5492(4) 0.1443(3) 0.0639(11) Uani 1 1 d . U . . . 
H9A_5 H 1.130587 0.581566 0.168267 0.077 Uiso 1 1 calc R U . . . 
H9B_5 H 1.077764 0.575040 0.124600 0.077 Uiso 1 1 calc R U . . . 
C10_5 C 1.1966(6) 0.5300(4) 0.1236(3) 0.0709(12) Uani 1 1 d . U . . . 
H10A_5 H 1.182078 0.501832 0.098113 0.085 Uiso 1 1 calc R U . . . 
H10B_5 H 1.232675 0.499047 0.142378 0.085 Uiso 1 1 calc R U . . . 
C11_5 C 1.2464(6) 0.5995(5) 0.1123(3) 0.0790(14) Uani 1 1 d . U . . . 
H11A_5 H 1.257504 0.630321 0.137182 0.095 Uiso 1 1 calc R U . . . 
H11B_5 H 1.213735 0.628348 0.091114 0.095 Uiso 1 1 calc R U . . . 
C12_5 C 1.3311(6) 0.5732(6) 0.0952(3) 0.099(2) Uani 1 1 d . U . . . 
H12A_5 H 1.360499 0.541390 0.115651 0.148 Uiso 1 1 calc R U . . . 
H12B_5 H 1.366630 0.615334 0.089859 0.148 Uiso 1 1 calc R U . . . 
H12C_5 H 1.319316 0.546175 0.069398 0.148 Uiso 1 1 calc R U . . . 
O1_6 O 0.6702(3) 0.7978(2) 0.26620(14) 0.0425(10) Uani 1 1 d . . . . . 
O2_6 O 0.7864(3) 0.8590(2) 0.25257(13) 0.0410(10) Uani 1 1 d . . . . . 
O3_6 O 0.6740(3) 1.1829(2) 0.27532(13) 0.0405(9) Uani 1 1 d . . . . . 
O4_6 O 0.7879(2) 1.12199(19) 0.25869(13) 0.0388(9) Uani 1 1 d . . . . . 
C1_6 C 0.7137(4) 0.8549(3) 0.26443(17) 0.0340(12) Uani 1 1 d . . . . . 
C2_6 C 0.6726(4) 0.9243(3) 0.2776(2) 0.0526(10) Uani 1 1 d . U . . . 
C3_6 C 0.5971(5) 0.9235(4) 0.2961(3) 0.0607(10) Uani 1 1 d . U . . . 
H3_6 H 0.570422 0.878258 0.301018 0.073 Uiso 1 1 calc R U . . . 
C4_6 C 0.5591(6) 0.9872(4) 0.3077(3) 0.0685(10) Uani 1 1 d . U . . . 
C5_6 C 0.5968(5) 1.0540(4) 0.2984(3) 0.0591(10) Uani 1 1 d . U . . . 
H5_6 H 0.569383 1.098454 0.304347 0.071 Uiso 1 1 calc R U . . . 
C6_6 C 0.6731(4) 1.0546(3) 0.2809(2) 0.0516(10) Uani 1 1 d . U . . . 
C7_6 C 0.7131(5) 0.9901(3) 0.2708(2) 0.0495(10) Uani 1 1 d . U . . . 
H7_6 H 0.767003 0.990961 0.259482 0.059 Uiso 1 1 calc R U . . . 
C8_6 C 0.7159(4) 1.1255(3) 0.27114(17) 0.0322(12) Uani 1 1 d . . . . . 
O5_6 O 0.4853(4) 0.9812(3) 0.3260(2) 0.0866(11) Uani 1 1 d . U . . . 
C9_6 C 0.4363(6) 1.0394(5) 0.3366(4) 0.0974(13) Uani 1 1 d D U . . . 
H9A_6 H 0.422924 1.069091 0.311551 0.117 Uiso 1 1 calc R U . . . 
H9B_6 H 0.469219 1.070151 0.356773 0.117 Uiso 1 1 calc R U . . . 
C10_6 C 0.3615(6) 1.0190(5) 0.3536(4) 0.1084(15) Uani 1 1 d D U . . . 
H10A_6 H 0.361056 1.044608 0.380541 0.130 Uiso 1 1 calc R U . . . 
H10B_6 H 0.315922 1.041272 0.335662 0.130 Uiso 1 1 calc R U . . . 
C11_6 C 0.3351(7) 0.9487(5) 0.3612(4) 0.1157(17) Uani 1 1 d D U . . . 
H11A_6 H 0.384390 0.924230 0.375253 0.139 Uiso 1 1 calc R U . . . 
H11B_6 H 0.327231 0.925537 0.333575 0.139 Uiso 1 1 calc R U . . . 
C12_6 C 0.2661(7) 0.9272(7) 0.3827(4) 0.125(2) Uani 1 1 d D U . . . 
H12A_6 H 0.262988 0.873968 0.383089 0.188 Uiso 1 1 calc R U . . . 
H12B_6 H 0.272251 0.945594 0.411122 0.188 Uiso 1 1 calc R U . . . 
H12C_6 H 0.214415 0.946917 0.368950 0.188 Uiso 1 1 calc R U . . . 
O1_7 O 0.5951(3) 0.4946(3) 0.43317(14) 0.0577(13) Uani 1 1 d . U . . . 
C1_7 C 0.5213(8) 0.4938(8) 0.4480(5) 0.133(5) Uani 1 1 d . U . . . 
O1_8 O 0.6108(3) 0.3442(3) 0.27252(16) 0.0646(14) Uani 1 1 d . . . . . 
O1_9 O 0.6041(3) 0.6393(3) 0.26648(15) 0.0536(12) Uani 1 1 d . U . . . 
C1_9 C 0.5329(5) 0.6622(6) 0.2698(3) 0.083(3) Uani 1 1 d . U . . . 
O1_10 O 0.9591(3) 0.5089(3) 0.56179(16) 0.0553(12) Uani 1 1 d . . . . . 
O1_11 O 0.9579(3) 0.1393(2) 0.22364(15) 0.0515(11) Uani 1 1 d . . . . . 
O1_12 O 0.9547(3) 0.8387(2) 0.21300(14) 0.0489(11) Uani 1 1 d . . . . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Cu1 O1_2 1.953(4) . ? 
Cu1 O1_1 1.964(4) . ? 
Cu1 O1_3 1.965(4) . ? 
Cu1 O1_4 1.968(4) . ? 
Cu1 O1_7 2.166(4) . ? 
Cu1 Cu2 2.6412(10) . ? 
Cu2 O2_4 1.963(4) . ? 
Cu2 O2_3 1.966(4) . ? 
Cu2 O2_1 1.978(4) . ? 
Cu2 O2_2 1.982(4) . ? 
Cu2 O1_10 2.130(4) . ? 
Cu3 O3_1 1.943(4) . ? 
Cu3 O3_3 1.951(4) 4_565 ? 
Cu3 O1_5 1.963(4) . ? 
Cu3 O3_6 1.980(4) 1_545 ? 
Cu3 O1_8 2.164(4) . ? 
Cu3 Cu4 2.6429(10) . ? 
Cu4 O4_6 1.958(4) 1_545 ? 
Cu4 O2_5 1.959(4) . ? 
Cu4 O4_3 1.976(4) 4_565 ? 
Cu4 O4_1 1.998(4) . ? 
Cu4 O1_11 2.125(4) . ? 
Cu5 O3_2 1.950(4) . ? 
Cu5 O3_5 1.954(4) . ? 
Cu5 O1_6 1.975(4) . ? 
Cu5 O3_4 1.976(4) 4_575 ? 
Cu5 O1_9 2.182(4) . ? 
Cu5 Cu6 2.6407(10) . ? 
Cu6 O4_4 1.961(4) 4_575 ? 
Cu6 O2_6 1.967(4) . ? 
Cu6 O4_2 1.968(4) . ? 
Cu6 O4_5 1.972(4) . ? 
Cu6 O1_12 2.140(4) . ? 
O1_1 C1_1 1.259(7) . ? 
O2_1 C1_1 1.256(6) . ? 
O3_1 C8_1 1.267(7) . ? 
O4_1 C8_1 1.247(6) . ? 
C1_1 C2_1 1.506(7) . ? 
C2_1 C7_1 1.386(7) . ? 
C2_1 C3_1 1.389(8) . ? 
C3_1 C4_1 1.404(8) . ? 
C4_1 O5_1 1.355(7) . ? 
C4_1 C5_1 1.384(8) . ? 
C5_1 C6_1 1.392(8) . ? 
C6_1 C7_1 1.382(8) . ? 
C6_1 C8_1 1.509(7) . ? 
O5_1 C9B_1 1.327(14) . ? 
O5_1 C9A_1 1.341(13) . ? 
C9A_1 C10A_1 1.525(13) . ? 
C10A_1 C11A_1 1.505(14) . ? 
C11A_1 C12A_1 1.522(13) . ? 
C9B_1 C10B_1 1.524(13) . ? 
C10B_1 C11B_1 1.518(15) . ? 
C11B_1 C12B_1 1.525(14) . ? 
O1_2 C1_2 1.243(7) . ? 
O2_2 C1_2 1.255(6) . ? 
O3_2 C8_2 1.251(7) . ? 
O4_2 C8_2 1.263(7) . ? 
C1_2 C2_2 1.495(7) . ? 
C2_2 C3_2 1.387(8) . ? 
C2_2 C7_2 1.394(7) . ? 
C3_2 C4_2 1.400(8) . ? 
C4_2 O5_2 1.364(8) . ? 
C4_2 C5_2 1.388(8) . ? 
C5_2 C6_2 1.385(8) . ? 
C6_2 C7_2 1.394(7) . ? 
C6_2 C8_2 1.503(7) . ? 
O5_2 C9B_2 1.302(15) . ? 
O5_2 C9A_2 1.341(11) . ? 
C9A_2 C10A_2 1.607(17) . ? 
C9B_2 C10B_2 1.66(2) . ? 
O1_3 C1_3 1.260(6) . ? 
O2_3 C1_3 1.264(6) . ? 
O3_3 C8_3 1.257(6) . ? 
O4_3 C8_3 1.255(6) . ? 
C1_3 C2_3 1.497(7) . ? 
C2_3 C7_3 1.390(7) . ? 
C2_3 C3_3 1.391(8) . ? 
C3_3 C4_3 1.393(8) . ? 
C4_3 O5_3 1.370(7) . ? 
C4_3 C5_3 1.391(8) . ? 
C5_3 C6_3 1.382(8) . ? 
C6_3 C7_3 1.392(8) . ? 
C6_3 C8_3 1.492(7) . ? 
O5_3 C9_3 1.423(8) . ? 
C9_3 C10_3 1.489(9) . ? 
C10_3 C11_3 1.530(10) . ? 
C11_3 C12_3 1.510(10) . ? 
O1_4 C1_4 1.263(6) . ? 
O2_4 C1_4 1.251(6) . ? 
O3_4 C8_4 1.247(7) . ? 
O4_4 C8_4 1.255(7) . ? 
C1_4 C2_4 1.493(8) . ? 
C2_4 C7_4 1.386(8) . ? 
C2_4 C3_4 1.386(9) . ? 
C3_4 C4_4 1.376(10) . ? 
C4_4 O5_4 1.383(9) . ? 
C4_4 C5_4 1.405(10) . ? 
C5_4 C6_4 1.387(9) . ? 
C6_4 C7_4 1.387(8) . ? 
C6_4 C8_4 1.510(8) . ? 
O5_4 C9_4 1.416(10) . ? 
C9_4 C10_4 1.581(11) . ? 
C10_4 C11_4 1.646(13) . ? 
O1_5 C1_5 1.256(7) . ? 
O2_5 C1_5 1.260(6) . ? 
O3_5 C8_5 1.249(7) . ? 
O4_5 C8_5 1.264(6) . ? 
C1_5 C2_5 1.503(7) . ? 
C2_5 C3_5 1.378(8) . ? 
C2_5 C7_5 1.381(7) . ? 
C3_5 C4_5 1.403(8) . ? 
C4_5 O5_5 1.356(8) . ? 
C4_5 C5_5 1.387(8) . ? 
C5_5 C6_5 1.397(8) . ? 
C6_5 C7_5 1.377(7) . ? 
C6_5 C8_5 1.501(7) . ? 
O5_5 C9_5 1.407(8) . ? 
C9_5 C10_5 1.502(11) . ? 
C10_5 C11_5 1.557(11) . ? 
C11_5 C12_5 1.560(12) . ? 
O1_6 C1_6 1.258(7) . ? 
O2_6 C1_6 1.240(7) . ? 
O3_6 C8_6 1.259(6) . ? 
O4_6 C8_6 1.236(7) . ? 
C1_6 C2_6 1.505(8) . ? 
C2_6 C3_6 1.369(9) . ? 
C2_6 C7_6 1.394(8) . ? 
C3_6 C4_6 1.379(10) . ? 
C4_6 O5_6 1.347(9) . ? 
C4_6 C5_6 1.405(9) . ? 
C5_6 C6_6 1.366(9) . ? 
C6_6 C7_6 1.393(8) . ? 
C6_6 C8_6 1.510(8) . ? 
O5_6 C9_6 1.377(10) . ? 
C9_6 C10_6 1.388(6) . ? 
C10_6 C11_6 1.385(6) . ? 
C11_6 C12_6 1.387(6) . ? 
O1_7 C1_7 1.291(14) . ? 
O1_9 C1_9 1.218(10) . ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O1_2 Cu1 O1_1 89.09(19) . . ? 
O1_2 Cu1 O1_3 169.58(16) . . ? 
O1_1 Cu1 O1_3 89.94(18) . . ? 
O1_2 Cu1 O1_4 90.54(19) . . ? 
O1_1 Cu1 O1_4 168.73(16) . . ? 
O1_3 Cu1 O1_4 88.39(19) . . ? 
O1_2 Cu1 O1_7 98.41(18) . . ? 
O1_1 Cu1 O1_7 99.12(18) . . ? 
O1_3 Cu1 O1_7 91.99(18) . . ? 
O1_4 Cu1 O1_7 92.07(18) . . ? 
O1_2 Cu1 Cu2 85.65(12) . . ? 
O1_1 Cu1 Cu2 84.05(11) . . ? 
O1_3 Cu1 Cu2 83.93(11) . . ? 
O1_4 Cu1 Cu2 84.69(11) . . ? 
O1_7 Cu1 Cu2 174.85(15) . . ? 
O2_4 Cu2 O2_3 88.61(19) . . ? 
O2_4 Cu2 O2_1 167.60(16) . . ? 
O2_3 Cu2 O2_1 89.87(18) . . ? 
O2_4 Cu2 O2_2 89.98(18) . . ? 
O2_3 Cu2 O2_2 166.67(16) . . ? 
O2_1 Cu2 O2_2 88.67(18) . . ? 
O2_4 Cu2 O1_10 94.82(17) . . ? 
O2_3 Cu2 O1_10 98.32(18) . . ? 
O2_1 Cu2 O1_10 97.58(18) . . ? 
O2_2 Cu2 O1_10 95.01(18) . . ? 
O2_4 Cu2 Cu1 83.45(11) . . ? 
O2_3 Cu2 Cu1 84.44(11) . . ? 
O2_1 Cu2 Cu1 84.16(11) . . ? 
O2_2 Cu2 Cu1 82.23(12) . . ? 
O1_10 Cu2 Cu1 176.72(13) . . ? 
O3_1 Cu3 O3_3 172.13(16) . 4_565 ? 
O3_1 Cu3 O1_5 90.29(19) . . ? 
O3_3 Cu3 O1_5 90.36(18) 4_565 . ? 
O3_1 Cu3 O3_6 89.79(18) . 1_545 ? 
O3_3 Cu3 O3_6 87.70(18) 4_565 1_545 ? 
O1_5 Cu3 O3_6 166.09(16) . 1_545 ? 
O3_1 Cu3 O1_8 95.95(18) . . ? 
O3_3 Cu3 O1_8 91.79(18) 4_565 . ? 
O1_5 Cu3 O1_8 95.90(19) . . ? 
O3_6 Cu3 O1_8 97.93(19) 1_545 . ? 
O3_1 Cu3 Cu4 85.62(12) . . ? 
O3_3 Cu3 Cu4 86.73(12) 4_565 . ? 
O1_5 Cu3 Cu4 81.04(12) . . ? 
O3_6 Cu3 Cu4 85.09(12) 1_545 . ? 
O1_8 Cu3 Cu4 176.59(16) . . ? 
O4_6 Cu4 O2_5 169.68(16) 1_545 . ? 
O4_6 Cu4 O4_3 89.10(18) 1_545 4_565 ? 
O2_5 Cu4 O4_3 89.03(17) . 4_565 ? 
O4_6 Cu4 O4_1 89.67(18) 1_545 . ? 
O2_5 Cu4 O4_1 89.29(18) . . ? 
O4_3 Cu4 O4_1 163.72(16) 4_565 . ? 
O4_6 Cu4 O1_11 94.55(17) 1_545 . ? 
O2_5 Cu4 O1_11 95.76(17) . . ? 
O4_3 Cu4 O1_11 99.17(17) 4_565 . ? 
O4_1 Cu4 O1_11 97.11(17) . . ? 
O4_6 Cu4 Cu3 82.54(11) 1_545 . ? 
O2_5 Cu4 Cu3 87.15(11) . . ? 
O4_3 Cu4 Cu3 81.22(11) 4_565 . ? 
O4_1 Cu4 Cu3 82.52(11) . . ? 
O1_11 Cu4 Cu3 177.07(13) . . ? 
O3_2 Cu5 O3_5 89.22(18) . . ? 
O3_2 Cu5 O1_6 89.66(19) . . ? 
O3_5 Cu5 O1_6 168.51(16) . . ? 
O3_2 Cu5 O3_4 169.91(16) . 4_575 ? 
O3_5 Cu5 O3_4 89.48(18) . 4_575 ? 
O1_6 Cu5 O3_4 89.62(18) . 4_575 ? 
O3_2 Cu5 O1_9 94.51(17) . . ? 
O3_5 Cu5 O1_9 95.34(17) . . ? 
O1_6 Cu5 O1_9 96.15(18) . . ? 
O3_4 Cu5 O1_9 95.57(17) 4_575 . ? 
O3_2 Cu5 Cu6 84.40(12) . . ? 
O3_5 Cu5 Cu6 84.10(11) . . ? 
O1_6 Cu5 Cu6 84.41(12) . . ? 
O3_4 Cu5 Cu6 85.51(11) 4_575 . ? 
O1_9 Cu5 Cu6 178.78(13) . . ? 
O4_4 Cu6 O2_6 89.21(18) 4_575 . ? 
O4_4 Cu6 O4_2 166.03(17) 4_575 . ? 
O2_6 Cu6 O4_2 90.32(19) . . ? 
O4_4 Cu6 O4_5 89.69(18) 4_575 . ? 
O2_6 Cu6 O4_5 167.53(17) . . ? 
O4_2 Cu6 O4_5 87.76(19) . . ? 
O4_4 Cu6 O1_12 96.30(17) 4_575 . ? 
O2_6 Cu6 O1_12 95.77(17) . . ? 
O4_2 Cu6 O1_12 97.63(17) . . ? 
O4_5 Cu6 O1_12 96.69(17) . . ? 
O4_4 Cu6 Cu5 82.50(12) 4_575 . ? 
O2_6 Cu6 Cu5 83.44(12) . . ? 
O4_2 Cu6 Cu5 83.58(12) . . ? 
O4_5 Cu6 Cu5 84.11(12) . . ? 
O1_12 Cu6 Cu5 178.57(12) . . ? 
C1_1 O1_1 Cu1 123.4(3) . . ? 
C1_1 O2_1 Cu2 122.7(4) . . ? 
C8_1 O3_1 Cu3 122.5(3) . . ? 
C8_1 O4_1 Cu4 123.8(3) . . ? 
O2_1 C1_1 O1_1 125.6(5) . . ? 
O2_1 C1_1 C2_1 117.3(5) . . ? 
O1_1 C1_1 C2_1 117.1(5) . . ? 
C7_1 C2_1 C3_1 120.6(5) . . ? 
C7_1 C2_1 C1_1 119.1(5) . . ? 
C3_1 C2_1 C1_1 120.1(5) . . ? 
C2_1 C3_1 C4_1 119.4(5) . . ? 
O5_1 C4_1 C5_1 120.3(5) . . ? 
O5_1 C4_1 C3_1 119.8(5) . . ? 
C5_1 C4_1 C3_1 119.9(5) . . ? 
C4_1 C5_1 C6_1 119.8(5) . . ? 
C7_1 C6_1 C5_1 120.7(5) . . ? 
C7_1 C6_1 C8_1 119.7(5) . . ? 
C5_1 C6_1 C8_1 119.6(5) . . ? 
C6_1 C7_1 C2_1 119.6(5) . . ? 
O4_1 C8_1 O3_1 125.5(5) . . ? 
O4_1 C8_1 C6_1 118.2(5) . . ? 
O3_1 C8_1 C6_1 116.4(5) . . ? 
C9B_1 O5_1 C4_1 124.5(7) . . ? 
C9A_1 O5_1 C4_1 125.6(7) . . ? 
O5_1 C9A_1 C10A_1 109.7(11) . . ? 
C11A_1 C10A_1 C9A_1 123.4(13) . . ? 
C10A_1 C11A_1 C12A_1 112.1(13) . . ? 
O5_1 C9B_1 C10B_1 112.4(12) . . ? 
C11B_1 C10B_1 C9B_1 106.8(13) . . ? 
C10B_1 C11B_1 C12B_1 106.5(15) . . ? 
C1_2 O1_2 Cu1 121.9(3) . . ? 
C1_2 O2_2 Cu2 124.2(4) . . ? 
C8_2 O3_2 Cu5 123.2(3) . . ? 
C8_2 O4_2 Cu6 123.0(4) . . ? 
O1_2 C1_2 O2_2 126.0(5) . . ? 
O1_2 C1_2 C2_2 117.5(5) . . ? 
O2_2 C1_2 C2_2 116.6(5) . . ? 
C3_2 C2_2 C7_2 120.2(5) . . ? 
C3_2 C2_2 C1_2 120.1(5) . . ? 
C7_2 C2_2 C1_2 119.6(5) . . ? 
C2_2 C3_2 C4_2 119.8(5) . . ? 
O5_2 C4_2 C5_2 118.6(5) . . ? 
O5_2 C4_2 C3_2 121.3(5) . . ? 
C5_2 C4_2 C3_2 120.0(6) . . ? 
C6_2 C5_2 C4_2 119.8(5) . . ? 
C5_2 C6_2 C7_2 120.7(5) . . ? 
C5_2 C6_2 C8_2 120.0(5) . . ? 
C7_2 C6_2 C8_2 119.3(5) . . ? 
C6_2 C7_2 C2_2 119.4(5) . . ? 
O3_2 C8_2 O4_2 125.5(5) . . ? 
O3_2 C8_2 C6_2 118.3(5) . . ? 
O4_2 C8_2 C6_2 116.2(5) . . ? 
C9B_2 O5_2 C4_2 125.8(9) . . ? 
C9A_2 O5_2 C4_2 124.1(7) . . ? 
O5_2 C9A_2 C10A_2 110.1(10) . . ? 
O5_2 C9B_2 C10B_2 116.9(15) . . ? 
C1_3 O1_3 Cu1 123.4(4) . . ? 
C1_3 O2_3 Cu2 122.6(3) . . ? 
C8_3 O3_3 Cu3 120.7(3) . 4_566 ? 
C8_3 O4_3 Cu4 125.9(3) . 4_566 ? 
O1_3 C1_3 O2_3 125.4(5) . . ? 
O1_3 C1_3 C2_3 117.3(5) . . ? 
O2_3 C1_3 C2_3 117.3(5) . . ? 
C7_3 C2_3 C3_3 120.6(5) . . ? 
C7_3 C2_3 C1_3 119.9(5) . . ? 
C3_3 C2_3 C1_3 119.5(5) . . ? 
C2_3 C3_3 C4_3 119.6(5) . . ? 
O5_3 C4_3 C5_3 125.4(6) . . ? 
O5_3 C4_3 C3_3 114.8(5) . . ? 
C5_3 C4_3 C3_3 119.9(5) . . ? 
C6_3 C5_3 C4_3 120.0(6) . . ? 
C5_3 C6_3 C7_3 120.6(5) . . ? 
C5_3 C6_3 C8_3 120.2(5) . . ? 
C7_3 C6_3 C8_3 119.1(5) . . ? 
C2_3 C7_3 C6_3 119.2(5) . . ? 
O4_3 C8_3 O3_3 125.2(5) . . ? 
O4_3 C8_3 C6_3 117.5(5) . . ? 
O3_3 C8_3 C6_3 117.3(5) . . ? 
C4_3 O5_3 C9_3 119.4(5) . . ? 
O5_3 C9_3 C10_3 108.3(6) . . ? 
C9_3 C10_3 C11_3 111.6(6) . . ? 
C12_3 C11_3 C10_3 111.0(6) . . ? 
C1_4 O1_4 Cu1 122.1(4) . . ? 
C1_4 O2_4 Cu2 124.1(3) . . ? 
C8_4 O3_4 Cu5 120.7(4) . 4_576 ? 
C8_4 O4_4 Cu6 124.8(3) . 4_576 ? 
O2_4 C1_4 O1_4 125.5(5) . . ? 
O2_4 C1_4 C2_4 117.4(5) . . ? 
O1_4 C1_4 C2_4 117.0(5) . . ? 
C7_4 C2_4 C3_4 120.3(6) . . ? 
C7_4 C2_4 C1_4 119.5(5) . . ? 
C3_4 C2_4 C1_4 120.2(5) . . ? 
C4_4 C3_4 C2_4 119.1(6) . . ? 
C3_4 C4_4 O5_4 123.5(7) . . ? 
C3_4 C4_4 C5_4 121.3(7) . . ? 
O5_4 C4_4 C5_4 115.2(7) . . ? 
C6_4 C5_4 C4_4 118.5(6) . . ? 
C7_4 C6_4 C5_4 120.2(6) . . ? 
C7_4 C6_4 C8_4 119.6(5) . . ? 
C5_4 C6_4 C8_4 120.1(6) . . ? 
C2_4 C7_4 C6_4 120.2(6) . . ? 
O3_4 C8_4 O4_4 126.3(5) . . ? 
O3_4 C8_4 C6_4 118.3(5) . . ? 
O4_4 C8_4 C6_4 115.3(5) . . ? 
C4_4 O5_4 C9_4 117.6(6) . . ? 
O5_4 C9_4 C10_4 109.0(8) . . ? 
C9_4 C10_4 C11_4 98.3(9) . . ? 
C1_5 O1_5 Cu3 126.5(3) . . ? 
C1_5 O2_5 Cu4 119.5(4) . . ? 
C8_5 O3_5 Cu5 123.5(3) . . ? 
C8_5 O4_5 Cu6 122.0(4) . . ? 
O1_5 C1_5 O2_5 125.8(5) . . ? 
O1_5 C1_5 C2_5 116.3(5) . . ? 
O2_5 C1_5 C2_5 117.9(5) . . ? 
C3_5 C2_5 C7_5 120.5(5) . . ? 
C3_5 C2_5 C1_5 120.8(5) . . ? 
C7_5 C2_5 C1_5 118.7(5) . . ? 
C2_5 C3_5 C4_5 120.4(5) . . ? 
O5_5 C4_5 C5_5 124.3(5) . . ? 
O5_5 C4_5 C3_5 116.7(5) . . ? 
C5_5 C4_5 C3_5 119.0(6) . . ? 
C4_5 C5_5 C6_5 119.6(5) . . ? 
C7_5 C6_5 C5_5 120.8(5) . . ? 
C7_5 C6_5 C8_5 118.9(5) . . ? 
C5_5 C6_5 C8_5 120.2(5) . . ? 
C6_5 C7_5 C2_5 119.5(5) . . ? 
O3_5 C8_5 O4_5 126.0(5) . . ? 
O3_5 C8_5 C6_5 117.0(5) . . ? 
O4_5 C8_5 C6_5 117.1(5) . . ? 
C4_5 O5_5 C9_5 118.4(5) . . ? 
O5_5 C9_5 C10_5 108.7(6) . . ? 
C9_5 C10_5 C11_5 111.2(7) . . ? 
C10_5 C11_5 C12_5 106.7(7) . . ? 
C1_6 O1_6 Cu5 122.0(4) . . ? 
C1_6 O2_6 Cu6 123.9(4) . . ? 
C8_6 O3_6 Cu3 120.9(4) . 1_565 ? 
C8_6 O4_6 Cu4 125.7(3) . 1_565 ? 
O2_6 C1_6 O1_6 126.0(5) . . ? 
O2_6 C1_6 C2_6 117.5(5) . . ? 
O1_6 C1_6 C2_6 116.5(5) . . ? 
C3_6 C2_6 C7_6 120.1(6) . . ? 
C3_6 C2_6 C1_6 121.3(6) . . ? 
C7_6 C2_6 C1_6 118.6(6) . . ? 
C2_6 C3_6 C4_6 121.1(6) . . ? 
O5_6 C4_6 C3_6 117.0(6) . . ? 
O5_6 C4_6 C5_6 123.8(7) . . ? 
C3_6 C4_6 C5_6 119.1(7) . . ? 
C6_6 C5_6 C4_6 119.6(6) . . ? 
C5_6 C6_6 C7_6 121.1(6) . . ? 
C5_6 C6_6 C8_6 120.9(5) . . ? 
C7_6 C6_6 C8_6 118.0(6) . . ? 
C6_6 C7_6 C2_6 118.8(6) . . ? 
O4_6 C8_6 O3_6 125.7(5) . . ? 
O4_6 C8_6 C6_6 117.3(5) . . ? 
O3_6 C8_6 C6_6 117.0(5) . . ? 
C4_6 O5_6 C9_6 124.3(6) . . ? 
O5_6 C9_6 C10_6 113.4(8) . . ? 
C11_6 C10_6 C9_6 126.5(10) . . ? 
C10_6 C11_6 C12_6 127.5(11) . . ? 
C1_7 O1_7 Cu1 124.7(7) . . ? 
C1_9 O1_9 Cu5 126.5(6) . . ? 
  
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
Cu2 O2_1 C1_1 O1_1 -4.1(8) . . . . ? 
Cu2 O2_1 C1_1 C2_1 174.3(4) . . . . ? 
Cu1 O1_1 C1_1 O2_1 5.4(8) . . . . ? 
Cu1 O1_1 C1_1 C2_1 -173.0(4) . . . . ? 
O2_1 C1_1 C2_1 C7_1 -168.2(5) . . . . ? 
O1_1 C1_1 C2_1 C7_1 10.3(8) . . . . ? 
O2_1 C1_1 C2_1 C3_1 7.8(8) . . . . ? 
O1_1 C1_1 C2_1 C3_1 -173.6(5) . . . . ? 
C7_1 C2_1 C3_1 C4_1 -0.8(9) . . . . ? 
C1_1 C2_1 C3_1 C4_1 -176.7(5) . . . . ? 
C2_1 C3_1 C4_1 O5_1 -177.4(6) . . . . ? 
C2_1 C3_1 C4_1 C5_1 2.7(9) . . . . ? 
O5_1 C4_1 C5_1 C6_1 177.8(6) . . . . ? 
C3_1 C4_1 C5_1 C6_1 -2.3(9) . . . . ? 
C4_1 C5_1 C6_1 C7_1 -0.1(9) . . . . ? 
C4_1 C5_1 C6_1 C8_1 178.7(5) . . . . ? 
C5_1 C6_1 C7_1 C2_1 2.0(9) . . . . ? 
C8_1 C6_1 C7_1 C2_1 -176.8(5) . . . . ? 
C3_1 C2_1 C7_1 C6_1 -1.6(9) . . . . ? 
C1_1 C2_1 C7_1 C6_1 174.4(5) . . . . ? 
Cu4 O4_1 C8_1 O3_1 1.6(8) . . . . ? 
Cu4 O4_1 C8_1 C6_1 -178.1(4) . . . . ? 
Cu3 O3_1 C8_1 O4_1 -3.2(8) . . . . ? 
Cu3 O3_1 C8_1 C6_1 176.5(4) . . . . ? 
C7_1 C6_1 C8_1 O4_1 172.9(5) . . . . ? 
C5_1 C6_1 C8_1 O4_1 -6.0(8) . . . . ? 
C7_1 C6_1 C8_1 O3_1 -6.9(8) . . . . ? 
C5_1 C6_1 C8_1 O3_1 174.3(5) . . . . ? 
C5_1 C4_1 O5_1 C9B_1 -2.3(13) . . . . ? 
C3_1 C4_1 O5_1 C9B_1 177.9(10) . . . . ? 
C5_1 C4_1 O5_1 C9A_1 178.5(10) . . . . ? 
C3_1 C4_1 O5_1 C9A_1 -1.3(13) . . . . ? 
C4_1 O5_1 C9A_1 C10A_1 175.8(9) . . . . ? 
O5_1 C9A_1 C10A_1 C11A_1 -57(2) . . . . ? 
C9A_1 C10A_1 C11A_1 C12A_1 -170.6(16) . . . . ? 
C4_1 O5_1 C9B_1 C10B_1 -174.7(9) . . . . ? 
O5_1 C9B_1 C10B_1 C11B_1 70.7(19) . . . . ? 
C9B_1 C10B_1 C11B_1 C12B_1 167.2(16) . . . . ? 
Cu1 O1_2 C1_2 O2_2 -2.2(8) . . . . ? 
Cu1 O1_2 C1_2 C2_2 176.2(4) . . . . ? 
Cu2 O2_2 C1_2 O1_2 3.4(8) . . . . ? 
Cu2 O2_2 C1_2 C2_2 -175.0(4) . . . . ? 
O1_2 C1_2 C2_2 C3_2 178.8(5) . . . . ? 
O2_2 C1_2 C2_2 C3_2 -2.7(8) . . . . ? 
O1_2 C1_2 C2_2 C7_2 -3.6(8) . . . . ? 
O2_2 C1_2 C2_2 C7_2 174.9(5) . . . . ? 
C7_2 C2_2 C3_2 C4_2 0.8(9) . . . . ? 
C1_2 C2_2 C3_2 C4_2 178.4(6) . . . . ? 
C2_2 C3_2 C4_2 O5_2 -179.7(6) . . . . ? 
C2_2 C3_2 C4_2 C5_2 -2.3(10) . . . . ? 
O5_2 C4_2 C5_2 C6_2 178.9(6) . . . . ? 
C3_2 C4_2 C5_2 C6_2 1.5(10) . . . . ? 
C4_2 C5_2 C6_2 C7_2 0.9(10) . . . . ? 
C4_2 C5_2 C6_2 C8_2 179.7(6) . . . . ? 
C5_2 C6_2 C7_2 C2_2 -2.3(9) . . . . ? 
C8_2 C6_2 C7_2 C2_2 178.8(5) . . . . ? 
C3_2 C2_2 C7_2 C6_2 1.5(9) . . . . ? 
C1_2 C2_2 C7_2 C6_2 -176.1(5) . . . . ? 
Cu5 O3_2 C8_2 O4_2 3.9(8) . . . . ? 
Cu5 O3_2 C8_2 C6_2 -174.3(4) . . . . ? 
Cu6 O4_2 C8_2 O3_2 1.6(8) . . . . ? 
Cu6 O4_2 C8_2 C6_2 179.8(4) . . . . ? 
C5_2 C6_2 C8_2 O3_2 -175.6(5) . . . . ? 
C7_2 C6_2 C8_2 O3_2 3.2(8) . . . . ? 
C5_2 C6_2 C8_2 O4_2 6.0(8) . . . . ? 
C7_2 C6_2 C8_2 O4_2 -175.1(5) . . . . ? 
C5_2 C4_2 O5_2 C9B_2 39.5(14) . . . . ? 
C3_2 C4_2 O5_2 C9B_2 -143.1(12) . . . . ? 
C5_2 C4_2 O5_2 C9A_2 154.3(9) . . . . ? 
C3_2 C4_2 O5_2 C9A_2 -28.3(12) . . . . ? 
C4_2 O5_2 C9A_2 C10A_2 -74.5(12) . . . . ? 
C4_2 O5_2 C9B_2 C10B_2 70.8(18) . . . . ? 
Cu1 O1_3 C1_3 O2_3 -4.8(8) . . . . ? 
Cu1 O1_3 C1_3 C2_3 174.9(4) . . . . ? 
Cu2 O2_3 C1_3 O1_3 6.2(8) . . . . ? 
Cu2 O2_3 C1_3 C2_3 -173.5(4) . . . . ? 
O1_3 C1_3 C2_3 C7_3 178.9(5) . . . . ? 
O2_3 C1_3 C2_3 C7_3 -1.4(8) . . . . ? 
O1_3 C1_3 C2_3 C3_3 -3.6(8) . . . . ? 
O2_3 C1_3 C2_3 C3_3 176.1(6) . . . . ? 
C7_3 C2_3 C3_3 C4_3 -1.0(10) . . . . ? 
C1_3 C2_3 C3_3 C4_3 -178.5(6) . . . . ? 
C2_3 C3_3 C4_3 O5_3 -179.2(6) . . . . ? 
C2_3 C3_3 C4_3 C5_3 1.8(11) . . . . ? 
O5_3 C4_3 C5_3 C6_3 -179.6(7) . . . . ? 
C3_3 C4_3 C5_3 C6_3 -0.7(11) . . . . ? 
C4_3 C5_3 C6_3 C7_3 -1.3(10) . . . . ? 
C4_3 C5_3 C6_3 C8_3 174.3(6) . . . . ? 
C3_3 C2_3 C7_3 C6_3 -1.0(9) . . . . ? 
C1_3 C2_3 C7_3 C6_3 176.5(5) . . . . ? 
C5_3 C6_3 C7_3 C2_3 2.1(9) . . . . ? 
C8_3 C6_3 C7_3 C2_3 -173.5(5) . . . . ? 
Cu4 O4_3 C8_3 O3_3 -6.7(8) 4_566 . . . ? 
Cu4 O4_3 C8_3 C6_3 172.5(4) 4_566 . . . ? 
Cu3 O3_3 C8_3 O4_3 4.2(8) 4_566 . . . ? 
Cu3 O3_3 C8_3 C6_3 -175.0(4) 4_566 . . . ? 
C5_3 C6_3 C8_3 O4_3 -175.8(5) . . . . ? 
C7_3 C6_3 C8_3 O4_3 -0.2(8) . . . . ? 
C5_3 C6_3 C8_3 O3_3 3.4(8) . . . . ? 
C7_3 C6_3 C8_3 O3_3 179.1(5) . . . . ? 
C5_3 C4_3 O5_3 C9_3 -0.7(12) . . . . ? 
C3_3 C4_3 O5_3 C9_3 -179.7(7) . . . . ? 
C4_3 O5_3 C9_3 C10_3 -175.1(7) . . . . ? 
O5_3 C9_3 C10_3 C11_3 179.3(7) . . . . ? 
C9_3 C10_3 C11_3 C12_3 -179.3(7) . . . . ? 
Cu2 O2_4 C1_4 O1_4 -3.2(8) . . . . ? 
Cu2 O2_4 C1_4 C2_4 176.6(4) . . . . ? 
Cu1 O1_4 C1_4 O2_4 4.2(8) . . . . ? 
Cu1 O1_4 C1_4 C2_4 -175.6(4) . . . . ? 
O2_4 C1_4 C2_4 C7_4 -10.3(10) . . . . ? 
O1_4 C1_4 C2_4 C7_4 169.5(7) . . . . ? 
O2_4 C1_4 C2_4 C3_4 167.9(7) . . . . ? 
O1_4 C1_4 C2_4 C3_4 -12.3(10) . . . . ? 
C7_4 C2_4 C3_4 C4_4 -0.5(14) . . . . ? 
C1_4 C2_4 C3_4 C4_4 -178.7(8) . . . . ? 
C2_4 C3_4 C4_4 O5_4 177.1(9) . . . . ? 
C2_4 C3_4 C4_4 C5_4 -4.0(15) . . . . ? 
C3_4 C4_4 C5_4 C6_4 4.4(15) . . . . ? 
O5_4 C4_4 C5_4 C6_4 -176.6(8) . . . . ? 
C4_4 C5_4 C6_4 C7_4 -0.3(13) . . . . ? 
C4_4 C5_4 C6_4 C8_4 -179.9(8) . . . . ? 
C3_4 C2_4 C7_4 C6_4 4.4(13) . . . . ? 
C1_4 C2_4 C7_4 C6_4 -177.3(7) . . . . ? 
C5_4 C6_4 C7_4 C2_4 -4.0(13) . . . . ? 
C8_4 C6_4 C7_4 C2_4 175.5(7) . . . . ? 
Cu5 O3_4 C8_4 O4_4 -1.4(8) 4_576 . . . ? 
Cu5 O3_4 C8_4 C6_4 177.8(4) 4_576 . . . ? 
Cu6 O4_4 C8_4 O3_4 -2.9(8) 4_576 . . . ? 
Cu6 O4_4 C8_4 C6_4 177.9(4) 4_576 . . . ? 
C7_4 C6_4 C8_4 O3_4 -171.1(7) . . . . ? 
C5_4 C6_4 C8_4 O3_4 8.4(10) . . . . ? 
C7_4 C6_4 C8_4 O4_4 8.2(10) . . . . ? 
C5_4 C6_4 C8_4 O4_4 -172.3(7) . . . . ? 
C3_4 C4_4 O5_4 C9_4 5.7(15) . . . . ? 
C5_4 C4_4 O5_4 C9_4 -173.2(10) . . . . ? 
C4_4 O5_4 C9_4 C10_4 -178.9(9) . . . . ? 
O5_4 C9_4 C10_4 C11_4 75.2(11) . . . . ? 
Cu3 O1_5 C1_5 O2_5 -0.9(8) . . . . ? 
Cu3 O1_5 C1_5 C2_5 -179.5(3) . . . . ? 
Cu4 O2_5 C1_5 O1_5 1.1(7) . . . . ? 
Cu4 O2_5 C1_5 C2_5 179.6(3) . . . . ? 
O1_5 C1_5 C2_5 C3_5 -175.2(5) . . . . ? 
O2_5 C1_5 C2_5 C3_5 6.1(8) . . . . ? 
O1_5 C1_5 C2_5 C7_5 5.5(7) . . . . ? 
O2_5 C1_5 C2_5 C7_5 -173.1(5) . . . . ? 
C7_5 C2_5 C3_5 C4_5 -1.1(9) . . . . ? 
C1_5 C2_5 C3_5 C4_5 179.6(5) . . . . ? 
C2_5 C3_5 C4_5 O5_5 -177.4(6) . . . . ? 
C2_5 C3_5 C4_5 C5_5 2.9(9) . . . . ? 
O5_5 C4_5 C5_5 C6_5 178.3(6) . . . . ? 
C3_5 C4_5 C5_5 C6_5 -2.0(9) . . . . ? 
C4_5 C5_5 C6_5 C7_5 -0.7(9) . . . . ? 
C4_5 C5_5 C6_5 C8_5 177.4(5) . . . . ? 
C5_5 C6_5 C7_5 C2_5 2.4(8) . . . . ? 
C8_5 C6_5 C7_5 C2_5 -175.7(5) . . . . ? 
C3_5 C2_5 C7_5 C6_5 -1.5(8) . . . . ? 
C1_5 C2_5 C7_5 C6_5 177.8(5) . . . . ? 
Cu5 O3_5 C8_5 O4_5 -3.7(8) . . . . ? 
Cu5 O3_5 C8_5 C6_5 175.1(3) . . . . ? 
Cu6 O4_5 C8_5 O3_5 7.2(8) . . . . ? 
Cu6 O4_5 C8_5 C6_5 -171.7(3) . . . . ? 
C7_5 C6_5 C8_5 O3_5 -8.8(8) . . . . ? 
C5_5 C6_5 C8_5 O3_5 173.1(5) . . . . ? 
C7_5 C6_5 C8_5 O4_5 170.2(5) . . . . ? 
C5_5 C6_5 C8_5 O4_5 -7.9(8) . . . . ? 
C5_5 C4_5 O5_5 C9_5 -0.1(10) . . . . ? 
C3_5 C4_5 O5_5 C9_5 -179.8(6) . . . . ? 
C4_5 O5_5 C9_5 C10_5 179.7(7) . . . . ? 
O5_5 C9_5 C10_5 C11_5 -173.7(7) . . . . ? 
C9_5 C10_5 C11_5 C12_5 174.5(8) . . . . ? 
Cu6 O2_6 C1_6 O1_6 4.6(9) . . . . ? 
Cu6 O2_6 C1_6 C2_6 -174.8(4) . . . . ? 
Cu5 O1_6 C1_6 O2_6 -0.3(8) . . . . ? 
Cu5 O1_6 C1_6 C2_6 179.2(4) . . . . ? 
O2_6 C1_6 C2_6 C3_6 -171.5(7) . . . . ? 
O1_6 C1_6 C2_6 C3_6 9.0(10) . . . . ? 
O2_6 C1_6 C2_6 C7_6 8.4(10) . . . . ? 
O1_6 C1_6 C2_6 C7_6 -171.1(7) . . . . ? 
C7_6 C2_6 C3_6 C4_6 1.0(14) . . . . ? 
C1_6 C2_6 C3_6 C4_6 -179.1(8) . . . . ? 
C2_6 C3_6 C4_6 O5_6 -179.3(9) . . . . ? 
C2_6 C3_6 C4_6 C5_6 3.1(15) . . . . ? 
O5_6 C4_6 C5_6 C6_6 178.0(9) . . . . ? 
C3_6 C4_6 C5_6 C6_6 -4.6(14) . . . . ? 
C4_6 C5_6 C6_6 C7_6 2.0(13) . . . . ? 
C4_6 C5_6 C6_6 C8_6 -179.2(7) . . . . ? 
C5_6 C6_6 C7_6 C2_6 2.1(13) . . . . ? 
C8_6 C6_6 C7_6 C2_6 -176.8(7) . . . . ? 
C3_6 C2_6 C7_6 C6_6 -3.6(13) . . . . ? 
C1_6 C2_6 C7_6 C6_6 176.5(7) . . . . ? 
Cu4 O4_6 C8_6 O3_6 -4.6(9) 1_565 . . . ? 
Cu4 O4_6 C8_6 C6_6 173.3(4) 1_565 . . . ? 
Cu3 O3_6 C8_6 O4_6 3.5(8) 1_565 . . . ? 
Cu3 O3_6 C8_6 C6_6 -174.4(4) 1_565 . . . ? 
C5_6 C6_6 C8_6 O4_6 173.9(7) . . . . ? 
C7_6 C6_6 C8_6 O4_6 -7.3(10) . . . . ? 
C5_6 C6_6 C8_6 O3_6 -8.0(10) . . . . ? 
C7_6 C6_6 C8_6 O3_6 170.8(7) . . . . ? 
C3_6 C4_6 O5_6 C9_6 -174.9(10) . . . . ? 
C5_6 C4_6 O5_6 C9_6 2.5(17) . . . . ? 
C4_6 O5_6 C9_6 C10_6 177.5(11) . . . . ? 
O5_6 C9_6 C10_6 C11_6 2(2) . . . . ? 
C9_6 C10_6 C11_6 C12_6 171.4(15) . . . . ? 
  
_refine_diff_density_max    1.632 
_refine_diff_density_min   -1.334 
_refine_diff_density_rms    0.138 
  
  
  
  
