#======================================================================= data_global #======================================================================= _audit_creation_method 'Jana2006 Version : 01/07/2011' # 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 ; Petricek, V., Dusek, M. & Palatinus L. (2006). Jana2006. Structure Determination Software Programs. Institute of Physics, Praha, Czech Republic. Palatinus L. & Chapuis G. (2007). J. Appl. Cryst. 40, 786-790. # 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 'Fe3 O16 P2' _chemical_formula_weight 485.5 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration . #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' _symmetry_Int_Tables_number 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,-y,-z _cell_length_a 4.6339(4) _cell_length_b 8.0079(7) _cell_length_c 9.3358(7) _cell_angle_alpha 108.649(8) _cell_angle_beta 97.387(7) _cell_angle_gamma 95.834(7) _cell_volume 321.74(5) loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 ? ? ? ? ? ? ? ? ? ? ? _cell_formula_units_Z 1 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 2.5048 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 236 _exptl_absorpt_coefficient_mu 3.671 _exptl_crystal_description ? _exptl_crystal_size_max 0.23 _exptl_crystal_size_mid 0.23 _exptl_crystal_size_min 0.17 _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min 0.1 _exptl_absorpt_correction_T_max 0.1 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'X-ray tube' _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_monochromator graphite _diffrn_measurement_device 'four-cycle diffractometer' _diffrn_measurement_device_type 'Oxford Diffraction CCD' _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 16814 _diffrn_reflns_theta_min 4.49 _diffrn_reflns_theta_max 56.3 _diffrn_reflns_theta_full 38.05 _diffrn_measured_fraction_theta_max 0.84 _diffrn_measured_fraction_theta_full 0.98 _diffrn_reflns_av_R_equivalents 0.0961 _diffrn_reflns_av_sigmaI/netI 0.3148 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 7242 _reflns_number_gt 1350 _reflns_threshold_expression 'I>3\s(I)' _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0600 _refine_ls_wR_factor_gt 0.0653 _refine_ls_R_factor_all 0.0600 _refine_ls_wR_factor_ref 0.0653 _refine_ls_goodness_of_fit_ref 1.04 _refine_ls_goodness_of_fit_gt 1.04 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 1350 _refine_ls_number_parameters 98 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w=1/(\s^2^(F)+0.0016810001F^2^)' _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0420 _refine_ls_shift/su_mean 0.0132 _refine_diff_density_max 0.89 _refine_diff_density_min -0.42 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef -156(14) _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Fe 0.3463 0.8444 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' O 0.0106 0.0060 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' P 0.1023 0.0942 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 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 Fe1 Fe 0 0.5 0.5 Uani 0.0112(4) 1 1 d . . . Fe2 Fe -0.50203(19) 0.13050(11) -0.08450(10) Uani 0.0117(3) 2 1 d . . . P1 P 0.0579(3) 0.18877(19) 0.17684(17) Uani 0.0098(4) 2 1 d . . . O1 O -0.6777(11) 0.3514(7) -0.0802(6) Uani 0.0238(18) 2 1 d . . . O2 O 0.6971(11) 0.2587(6) 0.4767(6) Uani 0.0200(15) 2 1 d . . . O3 O -0.1286(9) 0.0448(5) 0.2191(5) Uani 0.0129(13) 2 1 d . . . O4 O -0.3100(12) 0.1365(8) -0.2746(6) Uani 0.028(2) 2 1 d . . . O5 O -0.1288(9) 0.2569(5) 0.0642(5) Uani 0.0130(12) 2 1 d . . . O6 O 0.1888(9) 0.3428(6) 0.3243(5) Uani 0.0153(13) 2 1 d . . . O7 O 0.6956(10) 0.5601(7) 0.3416(6) Uani 0.0197(16) 2 1 d . . . O8 O 0.3123(9) 0.1050(5) 0.1012(5) Uani 0.0126(12) 2 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 Fe1 Fe 0.0087(5) 0.0124(5) 0.0079(6) 0.0020(4) -0.0013(4) -0.0019(4) Fe2 Fe 0.0078(4) 0.0126(4) 0.0105(4) 0.0011(3) -0.0007(3) -0.0008(3) P1 P 0.0065(6) 0.0103(6) 0.0078(6) 0.0010(4) 0.0000(5) -0.0030(4) O1 O 0.018(2) 0.025(2) 0.030(3) -0.0004(19) -0.004(2) 0.015(2) O2 O 0.019(2) 0.020(2) 0.019(2) 0.0003(17) 0.0024(18) 0.0048(17) O3 O 0.015(2) 0.0140(17) 0.010(2) 0.0018(14) 0.0064(16) 0.0037(14) O4 O 0.028(3) 0.037(3) 0.028(3) 0.017(2) 0.014(2) 0.017(2) O5 O 0.0091(18) 0.0103(16) 0.015(2) -0.0006(13) -0.0001(15) -0.0007(14) O6 O 0.0093(18) 0.0162(18) 0.012(2) 0.0009(14) 0.0011(15) -0.0056(14) O7 O 0.014(2) 0.029(2) 0.016(2) 0.0080(18) -0.0010(18) 0.0074(18) O8 O 0.0054(17) 0.0130(17) 0.016(2) 0.0046(13) 0.0026(15) -0.0004(14) #======================================================================= # 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 Fe1 O6 . . 2.075(4) ? Fe1 O6 . 2_566 2.075(4) ? Fe1 O7 . 1_455 2.111(5) ? Fe1 O7 . 2_666 2.111(5) ? Fe2 O1 . . 2.010(6) ? Fe2 O3 . 2_455 2.072(4) ? Fe2 O4 . . 2.093(6) ? Fe2 O5 . . 2.015(4) ? Fe2 O8 . 1_455 2.084(5) ? Fe2 O8 . 2_555 2.127(5) ? P1 O3 . . 1.546(5) ? P1 O5 . . 1.541(5) ? P1 O6 . . 1.525(4) ? P1 O8 . . 1.551(5) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag O6 Fe1 O6 . . 2_566 180.0(5) ? O6 Fe1 O7 . . 1_455 91.52(18) ? O6 Fe1 O7 . . 2_666 88.48(18) ? O6 Fe1 O7 2_566 . 1_455 88.48(18) ? O6 Fe1 O7 2_566 . 2_666 91.52(18) ? O7 Fe1 O7 1_455 . 2_666 180.0(5) ? O1 Fe2 O3 . . 2_455 94.61(18) ? O1 Fe2 O4 . . . 90.8(3) ? O1 Fe2 O5 . . . 96.46(18) ? O1 Fe2 O8 . . 1_455 93.3(2) ? O1 Fe2 O8 . . 2_555 176.9(2) ? O3 Fe2 O4 2_455 . . 93.24(19) ? O3 Fe2 O5 2_455 . . 167.4(2) ? O3 Fe2 O8 2_455 . 1_455 85.26(17) ? O3 Fe2 O8 2_455 . 2_555 84.72(16) ? O4 Fe2 O5 . . . 92.6(2) ? O4 Fe2 O8 . . 1_455 175.8(2) ? O4 Fe2 O8 . . 2_555 86.2(2) ? O5 Fe2 O8 . . 1_455 88.14(17) ? O5 Fe2 O8 . . 2_555 84.54(16) ? O8 Fe2 O8 1_455 . 2_555 89.66(18) ? O3 P1 O5 . . . 111.5(2) ? O3 P1 O6 . . . 108.4(3) ? O3 P1 O8 . . . 108.3(3) ? O5 P1 O6 . . . 110.3(2) ? O5 P1 O8 . . . 109.3(3) ? O6 P1 O8 . . . 109.0(2) ? Fe2 O3 P1 2_455 . . 127.0(3) ? Fe2 O5 P1 . . . 128.2(3) ? Fe1 O6 P1 . . . 132.4(3) ? Fe2 O8 Fe2 1_655 . 2_555 90.34(17) ? Fe2 O8 P1 1_655 . . 131.5(3) ? Fe2 O8 P1 2_555 . . 135.2(3) ? 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status -5 1 0 213.82 280.18 34.86 o -4 1 0 99.30 119.44 20.82 o 1 1 0 2686.82 2584.21 22.56 o 2 1 0 206.66 222.53 13.89 o 3 1 0 1764.52 1802.00 28.39 o 4 1 0 66.53 78.58 20.10 o 5 1 0 1310.08 1422.20 38.35 o 7 1 0 487.44 407.49 57.46 o -6 2 0 168.93 255.98 78.88 o -5 2 0 567.40 604.61 43.25 o -4 2 0 287.02 274.22 24.95 o -3 2 0 792.48 755.69 15.82 o -6 3 0 453.76 393.11 41.47 o -4 3 0 925.36 884.64 32.55 o -3 3 0 491.16 592.08 19.05 o -2 3 0 7692.99 7429.57 44.05 o 0 3 0 4093.59 3997.81 26.08 o 1 3 0 394.02 478.17 15.09 o 2 3 0 1607.04 1568.51 27.37 o 4 3 0 1105.62 1159.45 44.95 o 5 3 0 227.61 217.97 29.25 o -7 4 0 304.23 347.13 49.34 o -6 4 0 181.49 132.12 40.89 o -5 4 0 223.37 246.45 33.78 o -4 4 0 829.24 920.71 36.23 o -3 4 0 117.18 135.62 15.14 o -2 4 0 411.00 413.42 17.24 o -1 4 0 3854.26 4289.23 29.59 o 2 4 0 69.62 102.90 15.86 o 3 4 0 1708.77 2086.93 41.23 o 5 4 0 776.12 921.65 42.67 o 7 4 0 283.22 366.52 50.62 o -6 5 0 418.60 546.22 46.57 o -3 5 0 46.26 82.39 19.76 o 1 5 0 1279.31 1567.08 29.43 o 3 5 0 114.28 156.82 28.44 o 4 5 0 205.90 228.01 28.83 o 6 5 0 332.57 306.26 37.54 o -6 6 0 184.61 183.63 43.74 o -5 6 0 274.26 229.32 40.10 o -4 6 0 516.14 495.42 36.80 o -3 6 0 122.83 176.73 24.91 o -2 6 0 836.93 755.05 21.13 o -1 6 0 327.49 372.62 18.06 o 0 6 0 385.39 393.83 18.96 o 1 6 0 130.96 120.10 20.08 o 2 6 0 287.11 298.11 26.52 o -5 7 0 225.34 203.70 39.94 o -4 7 0 200.97 176.00 34.03 o -3 7 0 204.97 182.59 23.83 o -1 7 0 734.20 786.93 28.25 o 1 7 0 1663.07 1602.20 33.03 o 3 7 0 615.18 526.76 34.92 o 5 7 0 399.37 319.88 58.31 o -6 8 0 533.21 440.84 50.35 o -4 8 0 187.04 171.78 31.23 o -3 8 0 47.35 79.18 20.67 o -2 8 0 169.63 132.40 21.57 o -1 8 0 1022.38 1148.22 29.15 o 0 8 0 412.54 437.17 23.74 o 2 8 0 167.47 160.65 26.02 o 4 8 0 267.85 212.70 42.17 o -5 9 0 188.94 173.02 36.12 o -4 9 0 94.26 110.90 31.36 o -1 9 0 784.94 970.28 37.51 o -1 10 0 190.26 204.72 41.19 o 1 10 0 118.84 126.09 36.53 o 2 10 0 121.92 120.54 33.62 o 3 10 0 254.24 220.33 36.65 o -3 11 0 151.48 112.48 36.70 o 2 11 0 153.88 161.12 36.06 o -5 12 0 187.46 176.74 56.99 o -3 12 0 171.85 193.60 38.40 o -1 12 0 304.52 233.73 50.91 o 0 13 0 239.85 204.72 56.02 o 1 -14 1 183.91 192.14 56.12 o -3 -11 1 376.04 397.50 39.82 o -1 -11 1 301.05 283.76 41.44 o 1 -11 1 360.27 349.31 48.63 o 3 -11 1 287.50 224.53 34.26 o 4 -10 1 447.55 528.84 46.11 o 2 -9 1 114.64 108.33 23.50 o -5 -8 1 411.00 303.95 60.67 o -3 -8 1 605.36 549.16 33.13 o -1 -8 1 346.75 339.26 26.16 o 1 -8 1 724.48 737.04 29.37 o 2 -8 1 122.29 109.61 21.83 o 3 -8 1 191.66 196.25 21.13 o -4 -7 1 276.99 230.82 37.69 o -3 -7 1 573.08 571.11 29.95 o -2 -7 1 478.86 444.63 26.10 o 0 -7 1 1225.14 1189.60 44.79 o 2 -7 1 3305.23 3281.88 58.92 o 4 -7 1 479.68 495.38 37.98 o 6 -7 1 359.27 309.69 46.19 o -5 -6 1 235.20 237.59 38.52 o -3 -6 1 88.63 91.95 27.76 o -2 -6 1 201.93 156.21 36.88 o -1 -6 1 100.61 139.56 19.78 o 0 -6 1 658.20 623.92 22.61 o 1 -6 1 957.59 1133.53 25.56 o 5 -6 1 589.85 731.21 44.12 o 7 -6 1 337.02 327.44 49.41 o -5 -5 1 131.77 116.92 34.83 o -3 -5 1 730.79 756.72 34.66 o -2 -5 1 709.21 746.52 24.96 o -1 -5 1 598.13 661.65 22.30 o 1 -5 1 360.02 376.47 16.24 o -5 -4 1 248.86 192.51 29.87 o -4 -4 1 1052.49 1019.97 32.25 o -2 -4 1 1241.18 1178.17 26.62 o -1 -4 1 62.76 73.97 12.61 o 0 -4 1 2287.64 2461.93 28.55 o 1 -4 1 1566.62 1765.60 22.46 o 2 -4 1 5085.41 5147.59 49.48 o 3 -4 1 789.27 753.55 24.15 o 4 -4 1 901.86 878.55 33.38 o 6 -4 1 431.83 388.57 42.32 o -7 -3 1 322.48 249.37 44.88 o -5 -3 1 502.88 423.24 31.05 o -4 -3 1 768.24 693.35 25.76 o -2 -3 1 868.15 826.80 21.00 o -1 -3 1 1073.38 1002.20 19.78 o 0 -3 1 1411.81 1649.12 19.08 o 1 -3 1 5352.81 5562.07 36.06 o 2 -3 1 212.40 234.46 15.27 o 3 -3 1 2876.09 2706.00 40.16 o 5 -3 1 847.05 720.15 47.12 o 7 -3 1 502.79 456.43 66.56 o -6 -2 1 352.12 305.86 40.83 o -5 -2 1 189.72 200.98 26.88 o -4 -2 1 958.02 835.96 26.03 o -2 -2 1 3349.54 3386.26 38.93 o 0 -2 1 1687.83 1757.80 18.03 o 1 -2 1 826.50 817.40 16.33 o 3 -2 1 694.08 766.49 19.72 o 4 -2 1 109.00 96.40 25.49 o 3 -1 1 40.59 41.86 12.68 o -6 0 1 268.42 295.15 47.92 o -5 0 1 348.46 346.93 30.73 o -4 0 1 123.62 158.93 19.69 o -3 0 1 1416.99 1674.14 24.53 o -2 0 1 870.88 979.23 16.21 o -1 0 1 2007.87 1919.97 15.01 o 1 0 1 4075.49 4291.39 24.01 o 3 0 1 1913.47 2138.88 26.30 o 5 0 1 1641.69 1900.89 40.61 o 7 0 1 502.08 541.33 93.04 o -6 1 1 697.14 651.83 55.22 o -4 1 1 5967.01 5369.64 50.95 o -3 1 1 115.57 125.33 11.34 o 1 1 1 11080.80 11195.80 45.97 o 2 1 1 8731.27 9264.86 56.95 o 5 1 1 397.12 405.87 28.49 o 6 1 1 478.19 413.93 40.63 o -5 2 1 96.89 89.26 25.10 o -3 2 1 1971.64 2090.69 27.87 o -2 2 1 996.27 1125.59 17.27 o -1 2 1 7554.73 7740.63 39.61 o 0 2 1 830.29 943.76 12.36 o 1 2 1 3885.40 4306.76 26.99 o 2 2 1 115.48 121.74 12.76 o 3 2 1 754.67 727.03 24.56 o -7 3 1 72.91 156.40 44.51 o -4 3 1 355.58 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