#======================================================================= data_global #======================================================================= _audit_creation_method 'Jana2000 Version : 08/11/2007' # 1. PROCESSING SUMMARY (IUCr Office Use Only) _journal_date_recd_electronic ? _journal_date_to_coeditor ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_date_printers_first ? _journal_date_printers_final ? _journal_date_proofs_out ? _journal_date_proofs_in ? _journal_coeditor_name ? _journal_coeditor_code ? _journal_coeditor_notes ; ? ; _journal_techeditor_code ? _journal_paper_category ? _journal_techeditor_notes ; ? ; _journal_coden_ASTM ? _journal_name_full 'Acta Crystallographica Section C' _journal_year ? _journal_volume ? _journal_issue ? _journal_page_first ? _journal_page_last ? _journal_suppl_publ_number ? _journal_suppl_publ_pages ? #======================================================================= # 2. SUBMISSION DETAILS _publ_contact_author_name ? _publ_contact_author_address ; ? ; _publ_contact_author_email ? _publ_contact_author_fax ? _publ_contact_author_phone ? _publ_requested_journal 'Acta Crystallographica Section C' _publ_requested_category ? _publ_contact_letter ; ? ; #======================================================================= # 3. TITLE AND AUTHOR LIST _publ_section_title ; ? ; _publ_section_title_footnote ; ? ; loop_ _publ_author_name _publ_author_footnote _publ_author_address ? # name ; ? # footnote ; ; ? # address ; #======================================================================= # 4. TEXT _publ_section_synopsis ; ? ; _publ_section_abstract ; ? ; _publ_section_comment ; ? ; _publ_section_introduction ; ? ; _publ_section_experimental ; ? ; _publ_section_exptl_prep ; ? ; _publ_section_exptl_refinement ; ? ; _publ_section_exptl_solution ; ? ; _publ_section_discussion ; ? ; _publ_section_acknowledgements ; ? ; _publ_section_references ; Becker, P. J. & Coppens, P. (1974). Acta Cryst. A30, 129-153. Petricek, V., Dusek, M. & Palatinus L. (2000). Jana2000. Structure Determination Software Programs. Institute of Physics, Praha, Czech Republic. # enable this reference if Diamond ver. 2 was used for visualization #Brandenburg, K. (1999). DIAMOND. Version. 2.1c. #Crystal Impact GbR, Bonn, Germany. # enable this reference if Diamond ver. 3 was used for visualization #Brandenburg, K. & Putz, H. (2005). DIAMOND Version 3. #Crystal Impact GbR, Postfach 1251, D-53002 Bonn, Germany. # enable this reference if SIR97 was used for solving of the structure #Altomare, A., Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C., #Guagliardi, A., Moliterni, A. G. G., Polidori, G., Spagna, R. (1997). #SIR97. A Package for Crystal Structure Solution by Direct Methods #and Refinement, Bari, Rome, Italy. # use this reference if SIR2002 was used for solving of the structure #Burla, M.C., Camalli, M., Carrozzini, B., Cascarano, G., Giacovazzo, C., #Polidori, G., Spagna, R. #SIR2002: the program, J. Appl. Cryst, (2003). 36, 1103 # enable this reference if bond valences were calculated #Brown, I. D. (1996). J. Appl. Cryst. 29, 479-480. # enable this reference if Xshape wase used for crystal shape refinement #Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany. # enable this reference if Flack coefficient was refined #Flack, H. D. (1983). Acta Cryst. A39, 876-881. ; _publ_section_figure_captions ; ? ; _publ_section_table_legends ; ? ; #======================================================================= data_(I) #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'Cs0.042 Fe0.125 O1.75 Pb0.125 W0.458' _chemical_formula_weight 150.7 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration . #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P 63/m m c' _symmetry_space_group_name_Hall '-P 6c;-2c' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 x-y,x,1/2+z 3 y,x,1/2+z 4 -y,x-y,z 5 -x+y,y,z 6 -x,-y,1/2+z 7 -x,-x+y,1/2+z 8 -x+y,-x,z 9 -y,-x,z 10 y,-x+y,1/2+z 11 x-y,-y,1/2+z 12 x,x-y,z 13 -x,-y,-z 14 -x+y,-x,1/2-z 15 -y,-x,1/2-z 16 y,-x+y,-z 17 x-y,-y,-z 18 x,y,1/2-z 19 x,x-y,1/2-z 20 x-y,x,-z 21 y,x,-z 22 -y,x-y,1/2-z 23 -x+y,y,1/2-z 24 -x,-x+y,-z _cell_length_a 7.298 _cell_length_b 7.298 _cell_length_c 19.582 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 903.2238 _cell_formula_units_Z 24 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature ? _cell_special_details ; ? ; _exptl_crystal_density_diffrn 6.6456 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 1467 _exptl_absorpt_coefficient_mu 51.035 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type None _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min 1.000 _exptl_absorpt_correction_T_max 1.000 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_radiation_type Synchrotron _diffrn_radiation_wavelength 0.7100 _diffrn_radiation_source ? _diffrn_radiation_monochromator ? _diffrn_measurement_device_type ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_reflns_number 15562 _diffrn_reflns_theta_min 2.08 _diffrn_reflns_theta_max 30.21 _diffrn_reflns_theta_full 0.00 _diffrn_measured_fraction_theta_max ? _diffrn_measured_fraction_theta_full 0.00 _diffrn_reflns_av_R_equivalents 0.0717 _diffrn_reflns_av_sigmaI/netI 0.0271 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 514 _reflns_number_gt 471 _reflns_threshold_expression 'I>3\s(I)' _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0668 _refine_ls_wR_factor_gt 0.1088 _refine_ls_R_factor_all 0.0694 _refine_ls_wR_factor_ref 0.1141 _refine_ls_goodness_of_fit_ref 1.36 _refine_ls_goodness_of_fit_gt 1.35 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 514 _refine_ls_number_parameters 36 _refine_ls_number_restraints ? _refine_ls_number_constraints ? _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w=1/(\s^2^(F)+0.0064F^2^)' _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0094 _refine_ls_shift/su_mean 0.0032 _refine_diff_density_max 2.54 _refine_diff_density_min -3.03 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 2061(**) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c O 0.011 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.867 32.908901 0.2508 Fe 0.346 0.844 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 11.7695 4.7611 7.3573 0.3072 3.5222 15.3535 2.3045 76.880501 1.0369 W -0.849 6.872 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 29.0818 1.72029 15.43 9.2259 14.4327 0.321703 5.11982 57.056 9.8875 Pb -3.394 10.111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 31.061701 0.6902 13.0637 2.3576 18.441999 8.618 5.9696 47.2579 13.4118 Cs -0.368 2.119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 20.3892 3.569 19.106199 0.3107 10.662 24.387899 1.4953 213.904007 3.3352 _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'Jana2000 (Petricek, Dusek & Palatinus, 2000)' _computing_molecular_graphics ? _computing_publication_material 'Jana2000 (Petricek, Dusek & Palatinus, 2000)' #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group W1 W 0 0 0 Uani 0.0353(7) 2 0.97(4) d . . . Fe1 Fe 0 0 0 Uani 0.0353(7) 2 0.03(4) d . . . W2 W 0.16794(4) 0.33588(8) 0.15567(4) Uani 0.0274(6) 12 0.76(4) d . . . Fe2 Fe 0.16794 0.33588 0.155675 Uani 0.0274(6) 12 0.24(4) d . . . Pb1 Pb 0.5 0 0 Uani 0.041(3) 6 0.156(11) d . . . Pb2 Pb 0.333333 0.666667 0.6431(2) Uani 0.0277(12) 4 0.327(15) d . . . Cs Cs 0.333333 0.666667 0.75 Uiso 0.066(6) 2 0.215(16) d . . . O1 O 0.1253(6) 0.2506(13) 0.0574(3) Uiso 0.0180(19) 12 1 d . . . O2 O 0.4551(6) 0.9102(13) 0.1361(4) Uiso 0.0206(19) 12 1 d . . . O3 O 0.8749(7) 1.7498(14) 0.1685(4) Uiso 0.0180(19) 12 1 d . . . O4 O 0.2034(9) 0.4068(18) 0.25 Uiso 0.016(2) 6 1 d . . . O5 O 0.333333 0.666667 0.537(3) Uiso 0.12(2) 4 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 W1 W 0.0401(10) 0.0401(10) 0.0255(10) 0.0201(5) 0 0 Fe1 Fe 0.0401(10) 0.0401(10) 0.0255(10) 0.0201(5) 0 0 W2 W 0.0180(7) 0.0147(7) 0.0486(9) 0.0073(4) -0.00014(10) -0.00028(19) Fe2 Fe 0.0180(7) 0.0147(7) 0.0486(9) 0.0073(4) -0.00014(10) -0.00028(19) Pb1 Pb 0.046(4) 0.037(4) 0.036(4) 0.019(2) 0.0039(8) 0.0078(16) Pb2 Pb 0.0273(15) 0.0273(15) 0.0286(19) 0.0137(7) 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag W1 Fe1 . . 0 yes W1 O1 . . 1.942(8) yes W1 O1 . 13_555 1.942(8) yes W1 O1 . 4_555 1.942(8) yes W1 O1 . 16_555 1.942(8) yes W1 O1 . 8_555 1.942(9) yes W1 O1 . 20_555 1.942(9) yes Fe1 O1 . . 1.942(8) yes Fe1 O1 . 13_555 1.942(8) yes Fe1 O1 . 4_555 1.942(8) yes Fe1 O1 . 16_555 1.942(8) yes Fe1 O1 . 8_555 1.942(9) yes Fe1 O1 . 20_555 1.942(9) yes W2 Fe2 . . 0 yes W2 O1 . . 1.998(7) yes W2 O2 . 4_665 1.916(12) yes W2 O2 . 8_565 1.916(7) yes W2 O3 . 4_765 1.927(13) yes W2 O3 . 8_465 1.927(8) yes W2 O4 . . 1.901(3) yes Fe2 O1 . . 1.998(7) yes Fe2 O2 . 4_665 1.916(12) yes Fe2 O2 . 8_565 1.916(7) yes Fe2 O3 . 4_765 1.927(13) yes Fe2 O3 . 8_465 1.927(8) yes Fe2 O4 . . 1.901(3) yes Pb1 O1 . 4_655 2.660(11) yes Pb1 O1 . 16_555 2.660(11) yes Pb1 O1 . 8_555 2.660(9) yes Pb1 O1 . 20_655 2.660(9) yes Pb1 O2 . 1_545 2.725(8) yes Pb1 O2 . 13_665 2.725(8) yes Pb1 O5 . 2_654 2.23(2) yes Pb1 O5 . 14_555 2.23(2) yes Pb2 Cs . . 2.093(4) yes Pb2 O2 . 2_655 2.678(10) yes Pb2 O2 . 3_455 2.678(8) yes Pb2 O2 . 6_675 2.678(8) yes Pb2 O3 . 2_655 2.679(10) yes Pb2 O3 . 3_455 2.679(9) yes Pb2 O3 . 6_675 2.679(9) yes Pb2 O5 . . 2.07(6) yes O1 O1 . 4_555 2.744(9) yes O1 O1 . 16_555 2.750(12) yes O1 O1 . 8_555 2.744(12) yes O1 O1 . 20_555 2.750(10) yes O1 O2 . 4_665 2.759(14) yes O1 O2 . 8_565 2.759(9) yes O1 O3 . 4_765 2.691(12) yes O1 O3 . 8_465 2.691(10) yes O2 O2 . 4_665 2.666(9) yes O2 O2 . 8_565 2.666(12) yes O2 O3 . 4_775 2.728(15) yes O2 O3 . 8_575 2.728(10) yes O2 O4 . 14_565 2.741(10) yes O2 O4 . 15_665 2.741(11) yes O3 O3 . 4_885 2.739(9) yes O3 O3 . 8_585 2.739(13) yes O3 O4 . 14_675 2.755(14) yes O3 O4 . 15_675 2.755(14) yes O4 O4 . 14_565 2.845(17) yes O4 O4 . 15_665 2.845(11) yes #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_meas _refln_F_calc _refln_F_sigma _refln_observed_status 0 1 0 165.16 160.69 13.62 o -1 2 0 21.41 22.90 1.76 o 0 2 0 189.98 184.76 15.54 o -1 3 0 82.11 97.26 6.62 o 0 3 0 85.14 86.67 6.97 o -1 4 0 109.94 112.67 8.88 o 0 4 0 190.02 167.91 15.60 o -2 5 0 116.26 110.19 9.38 o -1 5 0 24.34 22.13 1.99 o 0 5 0 61.45 74.27 5.03 o -3 6 0 55.54 41.25 4.55 o -2 6 0 137.66 118.29 11.20 o -1 6 0 72.63 76.86 5.88 o 0 6 0 358.59 351.59 29.35 o -3 7 0 68.21 76.49 5.53 o -2 7 0 44.61 42.81 3.62 o -1 7 0 48.07 42.15 3.90 o 0 7 0 54.08 43.95 4.49 o -4 8 0 275.75 297.66 23.06 o -3 8 0 56.05 46.48 4.57 o -2 8 0 165.70 107.11 13.56 o -1 8 0 15.28 15.26 1.37 o 0 8 0 116.20 68.83 9.73 o -4 9 0 33.41 23.11 2.81 o -3 9 0 46.04 42.25 3.75 o -2 9 0 46.52 50.69 3.80 o -1 9 0 54.96 50.33 4.52 o -5 10 0 13.56 10.92 2.17 o -4 10 0 120.07 68.47 10.04 o -3 10 0 39.58 32.61 3.37 o 0 1 1 95.90 107.07 7.74 o -1 3 1 24.58 23.48 1.98 o 0 3 1 29.93 23.69 2.43 o -1 4 1 76.41 77.13 6.14 o 0 4 1 364.05 330.21 29.79 o -2 5 1 89.17 90.11 7.16 o -1 5 1 26.86 16.97 2.17 o 0 5 1 21.66 13.08 1.79 o -2 6 1 270.57 265.09 21.77 o -1 6 1 49.94 49.60 4.02 o 0 6 1 88.40 1.36 7.24 o -3 7 1 37.97 33.77 3.06 o -2 7 1 27.53 22.17 2.24 o -1 7 1 45.03 45.59 3.63 o 0 7 1 53.20 51.32 4.34 o -3 8 1 51.65 46.79 4.17 o -2 8 1 199.89 200.71 16.11 o -1 8 1 17.10 6.48 1.44 o 0 8 1 158.40 149.30 12.93 o -4 9 1 33.36 34.83 2.72 o -3 9 1 25.00 12.69 2.08 o -2 9 1 26.99 19.24 2.21 o -1 9 1 43.95 33.77 3.58 o -4 10 1 138.74 132.45 11.33 o -3 10 1 37.02 30.69 3.03 o 0 0 2 84.46 100.03 7.06 o 0 1 2 78.50 89.43 6.33 o -1 2 2 142.85 149.80 11.52 o 0 2 2 259.34 243.39 21.09 o -1 3 2 33.06 35.54 2.66 o 0 3 2 118.94 129.20 9.61 o -2 4 2 81.41 82.70 6.56 o -1 4 2 49.40 49.81 3.97 o 0 4 2 196.95 189.64 15.96 o -2 5 2 58.75 60.39 4.72 o -1 5 2 87.77 87.49 7.07 o 0 5 2 13.55 11.36 1.23 o -3 6 2 75.64 69.35 6.12 o -2 6 2 160.19 151.39 12.90 o -1 6 2 23.17 18.08 1.88 o 0 6 2 68.83 64.87 5.58 o -3 7 2 17.15 11.43 1.41 o -2 7 2 55.95 59.86 4.51 o -1 7 2 24.49 19.32 1.99 o 0 7 2 26.97 26.65 2.22 o -4 8 2 69.39 59.05 5.67 o -3 8 2 19.28 10.90 1.60 o -2 8 2 103.38 83.25 8.34 o -1 8 2 40.13 39.37 3.24 o 0 8 2 106.40 76.19 8.74 o -4 9 2 19.30 14.59 1.63 o -3 9 2 35.39 37.81 2.87 o -2 9 2 9.79 0.68 1.25 o -1 9 2 15.88 3.20 1.41 o -5 10 2 25.67 28.07 2.26 o -4 10 2 78.87 57.40 6.55 o -3 10 2 14.97 0.42 1.75 o 0 1 3 17.85 15.94 1.45 o 0 2 3 140.48 138.83 11.32 o -1 3 3 19.26 17.22 1.56 o 0 3 3 78.18 74.70 6.30 o -1 4 3 6.52 2.69 0.76 o 0 4 3 96.74 93.74 7.83 o -2 5 3 11.51 9.23 0.98 o -1 5 3 27.01 17.35 2.19 o 0 5 3 16.16 15.22 1.38 o -2 6 3 80.74 71.78 6.49 o -1 6 3 5.57 4.01 1.12 < 0 6 3 29.54 25.96 2.44 o -3 7 3 13.41 10.76 1.15 o -2 7 3 22.03 13.47 1.80 o -1 7 3 8.92 6.24 0.97 o 0 7 3 7.23 2.57 1.42 < -3 8 3 3.99 2.66 1.80 < -2 8 3 57.46 46.79 4.64 o -1 8 3 12.49 5.07 1.13 o 0 8 3 52.10 42.69 4.24 o -4 9 3 8.26 5.35 1.37 o -3 9 3 16.28 13.51 1.47 o -2 9 3 4.00 2.38 1.93 < -1 9 3 6.29 4.89 1.62 < -4 10 3 42.86 36.89 3.49 o -3 10 3 5.56 3.91 3.93 < 0 1 4 60.70 65.40 4.89 o -1 2 4 169.90 174.43 13.71 o 0 2 4 295.31 273.38 23.90 o -1 3 4 65.10 65.65 5.23 o 0 3 4 151.34 160.30 12.20 o -2 4 4 236.37 236.57 19.05 o -1 4 4 24.53 14.46 1.98 o 0 4 4 253.56 257.52 20.44 o -2 5 4 37.11 34.45 2.98 o -1 5 4 101.38 105.74 8.15 o 0 5 4 41.71 38.94 3.39 o -3 6 4 77.51 77.27 6.25 o -2 6 4 208.77 204.37 16.77 o -1 6 4 14.69 4.94 1.26 o 0 6 4 161.55 170.28 13.08 o -3 7 4 18.98 12.44 1.55 o -2 7 4 69.34 71.12 5.59 o -1 7 4 21.31 14.15 1.75 o 0 7 4 20.32 15.99 1.76 o -4 8 4 157.02 150.78 12.77 o -3 8 4 20.13 10.41 1.68 o -2 8 4 146.49 142.54 11.81 o -1 8 4 49.83 51.97 4.02 o 0 8 4 108.46 104.28 8.81 o -4 9 4 17.97 18.05 1.56 o -3 9 4 49.46 49.68 4.00 o -2 9 4 2.98 5.32 2.53 < -1 9 4 11.58 9.44 1.19 o -5 10 4 33.73 40.48 2.80 o -4 10 4 83.04 85.85 6.73 o 0 1 5 106.79 115.11 8.61 o 0 2 5 345.04 310.97 28.23 o -1 3 5 32.19 28.18 2.59 o 0 3 5 33.96 29.54 2.74 o -1 4 5 111.25 120.70 8.93 o 0 4 5 355.27 334.49 28.66 o -2 5 5 82.45 88.65 6.63 o -1 5 5 22.24 16.10 1.80 o 0 5 5 12.04 5.32 1.23 o -2 6 5 284.40 282.70 22.85 o -1 6 5 81.41 84.75 6.55 o 0 6 5 20.60 4.98 1.78 o -3 7 5 37.79 32.10 3.04 o -2 7 5 19.40 20.96 1.60 o -1 7 5 53.18 55.67 4.28 o 0 7 5 51.54 52.86 4.19 o -3 8 5 78.32 81.76 6.32 o -2 8 5 219.36 228.55 17.66 o -1 8 5 12.51 5.78 1.17 o 0 8 5 169.10 173.03 13.69 o -4 9 5 28.56 31.01 2.35 o -3 9 5 10.78 9.93 1.22 o -2 9 5 24.08 21.52 1.98 o -1 9 5 40.08 37.75 3.24 o -4 10 5 138.04 150.09 11.30 o 0 1 6 138.87 153.09 11.19 o -1 2 6 36.13 40.67 2.92 o 0 2 6 77.68 81.13 6.26 o -1 3 6 97.22 112.82 7.81 o 0 3 6 41.42 42.31 3.34 o -2 4 6 481.28 405.07 40.23 o -1 4 6 105.47 117.25 8.47 o 0 4 6 88.48 96.74 7.14 o -2 5 6 90.16 94.70 7.24 o -1 5 6 34.52 36.98 2.78 o 0 5 6 61.68 73.78 4.99 o -3 6 6 31.33 34.05 2.54 o -2 6 6 79.08 81.12 6.35 o -1 6 6 74.52 82.29 5.99 o 0 6 6 304.88 301.93 24.67 o -3 7 6 60.68 68.41 4.87 o -2 7 6 32.92 27.90 2.66 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