#------------------------------------------------------------------------------ #$Date: 2024-12-06 19:27:29 +0200 (Fri, 06 Dec 2024) $ #$Revision: 296452 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/93/7249375.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7249375 loop_ _publ_author_name 'Tian, Zhengfang' 'Yang, Shun-Yi' 'Zhu, Junlun' 'Ruan, Zhijun' 'Shao, Dong' _publ_section_title ; Topological and magnetic regulation in three cobalt(ii) coordination polymers constructed using a mixed bipyrimidine--tetracarboxylate strategy ; _journal_issue 41 _journal_name_full CrystEngComm _journal_page_first 5933 _journal_page_last 5940 _journal_paper_doi 10.1039/D4CE00902A _journal_volume 26 _journal_year 2024 _chemical_formula_moiety 'C18 H9 Co N4 O8' _chemical_formula_sum 'C18 H9 Co N4 O8' _chemical_formula_weight 468.22 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary iterative _audit_creation_date 2024-07-25 _audit_creation_method ; Olex2 1.5 (compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928) ; _audit_update_record ; 2024-07-28 deposited with the CCDC. 2024-09-25 downloaded from the CCDC. ; _cell_angle_alpha 110.011(3) _cell_angle_beta 94.217(3) _cell_angle_gamma 107.725(3) _cell_formula_units_Z 2 _cell_length_a 8.5279(8) _cell_length_b 9.8241(9) _cell_length_c 11.5691(8) _cell_measurement_reflns_used 2551 _cell_measurement_temperature 190.00 _cell_measurement_theta_max 26.23 _cell_measurement_theta_min 2.36 _cell_volume 850.22(13) _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _computing_structure_solution 'olex2.solve 1.5 (Bourhis et al., 2015)' _diffrn_ambient_temperature 190.00 _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0914 _diffrn_reflns_av_unetI/netI 0.0586 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 19142 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.409 _diffrn_reflns_theta_min 2.357 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.073 _exptl_absorpt_correction_type none _exptl_crystal_colour red _exptl_crystal_colour_primary red _exptl_crystal_density_diffrn 1.829 _exptl_crystal_description block _exptl_crystal_F_000 472 _exptl_crystal_size_max 0.13 _exptl_crystal_size_mid 0.09 _exptl_crystal_size_min 0.06 _refine_diff_density_max 0.725 _refine_diff_density_min -0.337 _refine_diff_density_rms 0.094 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.082 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 281 _refine_ls_number_reflns 3490 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.082 _refine_ls_R_factor_all 0.0554 _refine_ls_R_factor_gt 0.0404 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0350P)^2^+0.5717P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0884 _refine_ls_wR_factor_ref 0.0973 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2834 _reflns_number_total 3490 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4ce00902a2.cif _cod_data_source_block Co3 _cod_depositor_comments 'Adding full bibliography for 7249374--7249376.cif.' _cod_database_code 7249375 _shelx_shelxl_version_number 2017/1 _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. ; _shelx_estimated_absorpt_t_max 0.938 _shelx_estimated_absorpt_t_min 0.873 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All O(H) groups 2.a Aromatic/amide H refined with riding coordinates: C5(H5), C6(H6), C7(H7), C11(H11), C12(H12), C13(H13), C15(H15), C17(H17) 2.b Idealised tetrahedral OH refined as rotating group: O3(H3) ; _shelx_res_file ; TITL a_a.res in P-1 a_a.res created by SHELXL-2017/1 at 14:06:33 on 29-Apr-2023 REM Old TITL a in P-1 REM SHELXT solution in P-1: R1 0.103, Rweak 0.007, Alpha 0.043 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: C18 Co N9 O3 CELL 0.71073 8.5279 9.8241 11.5691 110.011 94.217 107.725 ZERR 2 0.0008 0.0009 0.0008 0.003 0.003 0.003 LATT 1 SFAC C H Co N O UNIT 36 18 2 8 16 L.S. 10 PLAN 5 SIZE 0.06 0.09 0.13 TEMP -83.15 CONF BOND LIST 6 fmap 2 MORE -1 BOND $H ACTA REM REM REM WGHT 0.035000 0.571700 FVAR 0.60280 CO1 3 0.894231 0.673037 0.877038 11.00000 0.01697 0.01014 = 0.01525 0.00519 -0.00133 0.00424 O1 5 0.085771 0.453429 0.299287 11.00000 0.02808 0.01650 = 0.01725 0.00481 0.00124 0.00710 O2 5 0.657683 0.901216 0.901986 11.00000 0.02518 0.01647 = 0.02226 0.00244 -0.00456 0.00675 O3 5 0.396197 0.332563 0.585020 11.00000 0.05289 0.01627 = 0.03210 0.01313 0.01395 0.01996 AFIX 147 H3 2 0.392123 0.259426 0.608048 11.00000 -1.50000 AFIX 0 O4 5 0.660657 0.660080 0.815524 11.00000 0.01917 0.01325 = 0.02970 0.00990 -0.00358 0.00591 O5 5 0.417191 1.088743 0.631469 11.00000 0.03183 0.01148 = 0.02910 0.00693 -0.00310 0.00726 O6 5 0.322647 0.432095 0.769198 11.00000 0.02420 0.01920 = 0.02553 0.01337 0.00505 0.00583 O7 5 0.104736 0.687716 0.311936 11.00000 0.04824 0.02225 = 0.02453 0.00844 -0.00938 0.01627 O8 5 0.225136 0.949085 0.459633 11.00000 0.04060 0.02028 = 0.02666 0.00917 -0.00455 0.01855 N1 4 0.998186 0.878136 0.843149 11.00000 0.01695 0.01340 = 0.01633 0.00740 0.00208 0.00380 N2 4 0.796269 0.484043 0.931423 11.00000 0.01800 0.01250 = 0.01748 0.00617 -0.00069 0.00489 N3 4 1.066815 1.149996 0.940377 11.00000 0.01533 0.01308 = 0.01741 0.00723 0.00186 0.00386 N4 4 0.879917 0.341014 1.037249 11.00000 0.01922 0.01050 = 0.01456 0.00455 0.00074 0.00594 C1 1 0.467662 0.727384 0.710635 11.00000 0.01661 0.01349 = 0.01698 0.00554 -0.00008 0.00555 C2 1 0.606324 0.769812 0.820560 11.00000 0.01372 0.01666 = 0.01812 0.00953 0.00210 0.00324 C3 1 0.136570 0.597096 0.358260 11.00000 0.02106 0.01516 = 0.01576 0.00335 0.00119 0.00660 C4 1 0.367259 0.574910 0.637359 11.00000 0.01576 0.01390 = 0.01805 0.00686 0.00309 0.00747 C5 1 0.261044 0.544004 0.527734 11.00000 0.01826 0.01129 = 0.01958 0.00314 0.00091 0.00475 AFIX 43 H5 2 0.196199 0.439316 0.476644 11.00000 -1.20000 AFIX 0 C6 1 0.719005 0.250447 1.016735 11.00000 0.02450 0.01410 = 0.01733 0.00460 0.00571 0.00628 AFIX 43 H6 2 0.691819 0.169451 1.047182 11.00000 -1.20000 AFIX 0 C7 1 0.635714 0.393267 0.912257 11.00000 0.01791 0.01718 = 0.02106 0.00666 -0.00031 0.00510 AFIX 43 H7 2 0.550213 0.412744 0.870114 11.00000 -1.20000 AFIX 0 C8 1 1.018065 1.007532 0.940768 11.00000 0.01190 0.01187 = 0.01492 0.00526 -0.00098 0.00227 C9 1 0.245129 0.660109 0.489027 11.00000 0.01696 0.01321 = 0.01710 0.00497 0.00195 0.00693 C10 1 0.337295 0.815634 0.568142 11.00000 0.01925 0.01451 = 0.01849 0.00857 0.00409 0.00756 C11 1 1.020614 0.892089 0.734019 11.00000 0.01965 0.01865 = 0.01649 0.00450 0.00152 0.00485 AFIX 43 H11 2 1.007850 0.802376 0.662499 11.00000 -1.20000 AFIX 0 C12 1 0.447929 0.844306 0.675559 11.00000 0.01676 0.01314 = 0.02009 0.00599 0.00147 0.00630 AFIX 43 H12 2 0.513059 0.948649 0.727388 11.00000 -1.20000 AFIX 0 C13 1 1.061841 1.033481 0.722544 11.00000 0.02311 0.02509 = 0.01741 0.01322 0.00505 0.00920 AFIX 43 H13 2 1.072256 1.042029 0.643895 11.00000 -1.20000 AFIX 0 C14 1 0.911063 0.452295 0.991376 11.00000 0.01841 0.01233 = 0.01413 0.00429 0.00169 0.00857 C15 1 1.087348 1.162132 0.830245 11.00000 0.02113 0.01702 = 0.02276 0.01189 0.00361 0.00495 AFIX 43 H15 2 1.120229 1.261511 0.825984 11.00000 -1.20000 AFIX 0 C16 1 0.329639 0.961349 0.552584 11.00000 0.02013 0.01613 = 0.02008 0.00777 0.00478 0.01053 C17 1 0.591786 0.272052 0.952400 11.00000 0.01491 0.01841 = 0.02370 0.00729 0.00080 0.00228 AFIX 43 H17 2 0.478193 0.205955 0.936335 11.00000 -1.20000 AFIX 0 C18 1 0.362403 0.440381 0.673163 11.00000 0.01488 0.01289 = 0.02198 0.00550 -0.00272 0.00186 HKLF 4 REM a_a.res in P-1 REM R1 = 0.0404 for 2834 Fo > 4sig(Fo) and 0.0554 for all 3490 data REM 281 parameters refined using 0 restraints END WGHT 0.0350 0.5716 REM Highest difference peak 0.725, deepest hole -0.337, 1-sigma level 0.094 Q1 1 0.1755 0.8368 0.3943 11.00000 0.05 0.73 Q2 1 0.0898 0.3706 0.2225 11.00000 0.05 0.46 Q3 1 1.0715 1.2248 1.0164 11.00000 0.05 0.44 Q4 1 1.0997 1.0069 0.7573 11.00000 0.05 0.37 Q5 1 1.0029 0.8181 0.8792 11.00000 0.05 0.37 ; _shelx_res_checksum 9252 _shelx_hkl_file ; -1 0 0 608.14 27.80 -1 0 0 684.43 28.80 -1 0 0 603.64 30.50 -1 0 0 588.64 26.30 1 0 0 645.14 28.00 1 0 0 641.14 28.40 -2 0 0 279.07 16.80 -2 0 0 278.47 18.20 -2 0 0 250.17 20.30 -2 0 0 244.58 14.00 2 0 0 226.48 16.10 2 0 0 269.57 17.40 2 0 0 269.47 13.90 -3 0 0 811.92 47.90 -3 0 0 833.22 37.70 -3 0 0 777.62 42.30 -3 0 0 823.02 41.20 3 0 0 794.32 41.40 3 0 0 858.11 37.10 3 0 0 729.03 41.70 -4 0 0 1875.61 93.99 -4 0 0 1802.82 85.99 -4 0 0 1662.53 83.59 -4 0 0 1890.31 79.29 4 0 0 1853.81 77.79 4 0 0 1697.03 85.49 4 0 0 1857.31 84.79 -5 0 0 334.67 22.50 -5 0 0 354.76 28.90 -5 0 0 317.57 33.10 -5 0 0 343.07 26.60 5 0 0 344.67 29.00 5 0 0 375.56 28.00 -6 0 0 262.07 29.50 -6 0 0 218.58 34.10 -6 0 0 195.68 27.60 6 0 0 245.98 29.70 6 0 0 177.18 25.80 -7 0 0 98.09 19.20 -7 0 0 48.50 19.60 -7 0 0 78.39 14.40 -7 0 0 93.39 19.50 7 0 0 86.29 18.70 7 0 0 93.79 19.50 -8 0 0 86.19 19.10 -8 0 0 127.89 18.80 -8 0 0 120.19 29.70 -8 0 0 82.29 21.60 8 0 0 95.39 22.30 8 0 0 96.49 20.90 -9 0 0 308.67 25.10 -9 0 0 300.47 48.30 -9 0 0 228.98 38.30 -9 0 0 274.77 36.40 9 0 0 235.18 34.60 9 0 0 236.88 37.70 10 -1 0 10.10 13.30 10 -1 0 0.00 9.10 -10 1 0 7.90 10.60 -10 1 0 -0.80 7.30 -10 1 0 11.20 15.60 9 -1 0 113.79 23.50 9 -1 0 115.19 26.10 -9 1 0 127.29 19.70 -9 1 0 88.79 25.90 -9 1 0 117.59 28.40 -9 1 0 110.29 22.30 8 -1 0 253.17 33.10 8 -1 0 205.68 32.50 -8 1 0 297.17 44.00 -8 1 0 351.16 41.60 -8 1 0 230.48 27.20 -8 1 0 273.17 34.90 7 -1 0 33.50 12.40 7 -1 0 27.60 12.00 7 -1 0 24.60 7.70 -7 1 0 48.90 16.20 -7 1 0 42.70 13.40 -7 1 0 31.30 10.00 -7 1 0 41.50 13.60 6 -1 0 137.59 22.50 6 -1 0 105.79 13.90 6 -1 0 88.39 17.10 -6 1 0 110.59 15.70 -6 1 0 98.19 18.60 -6 1 0 74.09 19.70 -6 1 0 88.69 16.70 5 -1 0 161.28 20.50 5 -1 0 98.59 18.60 5 -1 0 120.69 13.80 -5 1 0 125.19 22.20 -5 1 0 83.89 14.20 -5 1 0 114.19 18.50 -5 1 0 109.99 15.60 4 -1 0 2721.03 118.69 4 -1 0 2803.52 121.89 4 -1 0 2742.43 114.19 -4 1 0 2695.83 120.09 -4 1 0 2581.34 115.19 -4 1 0 2819.32 118.69 -4 1 0 2546.35 125.19 -3 1 0 2444.26 101.39 -3 1 0 2319.67 103.99 2 -1 0 1342.27 60.39 2 -1 0 1374.06 58.49 -2 1 0 1308.77 58.49 1 -1 0 5.10 3.10 1 -1 0 5.20 2.50 1 -1 0 10.70 3.40 -1 1 0 9.70 3.30 0 -1 0 745.83 34.50 0 -1 0 756.62 33.60 0 1 0 751.72 33.50 0 1 0 747.83 33.70 0 1 0 755.12 34.70 -1 -1 0 21.10 4.90 -1 -1 0 23.60 5.70 -1 -1 0 17.80 6.20 1 1 0 26.60 5.50 1 1 0 6.40 5.20 1 1 0 17.50 4.90 -2 -1 0 219.88 20.70 -2 -1 0 258.07 16.80 -2 -1 0 226.18 16.90 2 1 0 209.48 16.60 2 1 0 192.68 20.60 2 1 0 226.98 16.50 -3 -1 0 197.78 13.00 -3 -1 0 201.78 17.90 -3 -1 0 207.28 17.30 -3 -1 0 197.78 26.80 3 1 0 196.28 17.20 3 1 0 214.18 18.40 -4 -1 0 170.58 26.10 -4 -1 0 121.49 11.20 -4 -1 0 129.89 19.10 -4 -1 0 156.98 19.60 4 1 0 132.19 18.30 4 1 0 171.18 21.60 -5 -1 0 648.94 43.70 -5 -1 0 707.03 35.80 -5 -1 0 646.44 51.09 -5 -1 0 667.13 42.40 5 1 0 610.44 42.00 5 1 0 648.14 43.40 -6 -1 0 54.99 18.00 -6 -1 0 78.69 18.00 -6 -1 0 40.50 12.70 6 1 0 49.40 14.00 6 1 0 16.90 10.20 -7 -1 0 229.58 30.50 -7 -1 0 232.38 19.80 -7 -1 0 187.88 34.60 -7 -1 0 190.88 29.30 -8 -1 0 1.50 9.70 -8 -1 0 6.50 6.80 -8 -1 0 -0.90 8.20 -8 -1 0 -3.00 10.60 8 1 0 -0.80 8.50 8 1 0 -8.30 6.20 -9 -1 0 42.30 17.90 -9 -1 0 49.50 24.60 -9 -1 0 18.80 14.20 9 1 0 64.89 19.60 9 1 0 8.30 11.10 10 -2 0 140.69 29.00 10 -2 0 136.59 29.70 -10 2 0 96.49 27.00 -10 2 0 133.89 22.90 -10 2 0 190.28 32.20 -10 2 0 144.69 32.30 9 -2 0 4.90 10.10 9 -2 0 2.50 5.60 9 -2 0 -7.70 6.00 -9 2 0 1.10 6.70 -9 2 0 12.40 10.30 -9 2 0 -2.50 8.00 -9 2 0 -1.10 10.30 8 -2 0 22.60 12.60 8 -2 0 18.10 11.80 8 -2 0 12.20 7.00 -8 2 0 4.60 7.20 -8 2 0 11.50 9.80 -8 2 0 33.20 12.80 -8 2 0 1.30 9.00 7 -2 0 91.29 20.50 7 -2 0 88.29 14.50 7 -2 0 91.09 18.40 -7 2 0 82.59 20.30 -7 2 0 93.49 17.70 -7 2 0 54.29 14.90 -7 2 0 76.79 15.10 6 -2 0 356.16 28.60 6 -2 0 366.16 25.00 6 -2 0 345.87 31.10 -6 2 0 368.06 28.80 -6 2 0 335.57 26.40 -6 2 0 293.87 27.90 -6 2 0 297.87 31.10 5 -2 0 479.05 35.50 5 -2 0 542.05 31.40 5 -2 0 504.75 33.20 -5 2 0 505.35 37.70 -5 2 0 499.25 34.90 -5 2 0 504.65 33.30 4 -2 0 103.39 13.60 4 -2 0 118.29 17.90 4 -2 0 96.59 13.80 -4 2 0 112.39 16.40 -4 2 0 98.49 14.20 -4 2 0 87.59 13.80 3 -2 0 334.77 21.30 3 -2 0 332.37 21.60 3 -2 0 326.57 23.20 -3 2 0 278.07 20.30 -3 2 0 299.77 22.00 -3 2 0 338.17 22.30 2 -2 0 128.39 12.30 2 -2 0 110.59 10.60 2 -2 0 125.29 14.70 -2 2 0 122.29 12.20 -2 2 0 106.39 10.50 -2 2 0 118.69 14.20 1 -2 0 109.29 12.00 1 -2 0 102.79 9.30 1 -2 0 130.89 14.40 1 -2 0 84.99 11.40 -1 2 0 120.59 13.10 -1 2 0 101.49 13.00 -1 2 0 106.29 12.30 -1 2 0 105.49 9.40 0 -2 0 3.50 3.80 0 -2 0 5.80 4.60 0 -2 0 5.30 4.00 0 2 0 5.20 4.60 0 2 0 -1.20 3.60 0 2 0 -3.40 3.50 -1 -2 0 115.09 14.00 -1 -2 0 127.59 14.20 -1 -2 0 124.99 17.40 1 2 0 127.79 19.00 1 2 0 120.89 14.10 1 2 0 126.39 12.50 -2 -2 0 240.98 18.70 -2 -2 0 230.38 19.10 -2 -2 0 238.78 23.40 2 2 0 220.08 18.80 2 2 0 266.57 33.00 2 2 0 218.08 18.60 -3 -2 0 201.58 28.00 -3 -2 0 164.78 21.70 -3 -2 0 173.58 20.90 3 2 0 123.99 24.20 3 2 0 175.88 20.90 3 2 0 187.08 21.40 -4 -2 0 538.85 43.40 -4 -2 0 438.06 32.30 -4 -2 0 468.85 26.10 -4 -2 0 438.66 33.50 4 2 0 441.76 33.20 4 2 0 444.16 43.30 4 2 0 518.45 35.70 -5 -2 0 32.10 11.80 -5 -2 0 11.20 12.00 -5 -2 0 25.00 10.10 -5 -2 0 43.50 8.50 5 2 0 44.20 13.50 5 2 0 73.99 16.90 -6 -2 0 3.40 8.70 -6 -2 0 2.00 7.20 -6 -2 0 -2.20 8.10 -6 -2 0 9.80 6.20 6 2 0 -1.40 7.00 6 2 0 0.20 6.70 -7 -2 0 8.20 9.80 -7 -2 0 12.70 14.80 -7 -2 0 5.80 10.20 -7 -2 0 31.40 8.90 7 2 0 24.10 13.20 7 2 0 45.90 15.60 -8 -2 0 141.49 18.20 -8 -2 0 158.58 37.30 8 2 0 135.29 28.00 8 2 0 161.38 29.80 -9 -2 0 11.60 7.30 -9 -2 0 24.60 14.50 -9 -2 0 -6.90 10.90 9 2 0 35.50 18.90 9 2 0 17.70 13.70 10 -3 0 19.30 14.60 10 -3 0 7.40 8.30 10 -3 0 36.00 17.60 -10 3 0 32.20 15.90 -10 3 0 42.70 15.20 -10 3 0 40.90 15.50 -10 3 0 28.70 18.00 9 -3 0 14.60 12.40 9 -3 0 55.99 17.00 9 -3 0 42.30 12.00 -9 3 0 52.29 14.90 -9 3 0 27.90 14.20 -9 3 0 32.70 21.20 -9 3 0 49.99 16.20 8 -3 0 195.78 23.90 8 -3 0 171.98 29.50 8 -3 0 184.68 27.60 -8 3 0 159.58 30.70 -8 3 0 193.38 26.30 -8 3 0 190.78 29.80 -8 3 0 143.89 24.90 7 -3 0 126.49 18.50 7 -3 0 144.19 22.20 7 -3 0 116.69 21.80 -7 3 0 145.49 24.20 -7 3 0 93.79 18.40 -7 3 0 116.09 21.00 -7 3 0 93.59 20.00 6 -3 0 239.98 28.00 6 -3 0 228.28 30.50 6 -3 0 209.78 24.20 -6 3 0 174.88 25.00 -6 3 0 243.58 23.80 -6 3 0 225.68 22.40 5 -3 0 217.08 24.90 5 -3 0 231.18 21.00 5 -3 0 224.48 28.20 -5 3 0 237.88 22.00 -5 3 0 232.48 20.90 -5 3 0 218.58 21.80 4 -3 0 206.48 18.80 4 -3 0 237.78 20.60 4 -3 0 241.68 22.10 -4 3 0 255.77 21.90 -4 3 0 224.18 20.90 3 -3 0 -0.80 4.80 3 -3 0 0.00 3.90 -3 3 0 -4.20 3.50 -3 3 0 -2.90 3.90 -3 3 0 0.40 3.10 2 -3 0 329.27 24.10 2 -3 0 332.57 20.50 2 -3 0 380.76 25.20 -2 3 0 331.37 24.10 -2 3 0 318.47 20.80 -2 3 0 349.27 24.20 -2 3 0 313.07 24.30 1 -3 0 263.87 20.30 1 -3 0 249.68 20.90 1 -3 0 253.77 19.20 1 -3 0 295.27 21.50 -1 3 0 285.37 20.80 -1 3 0 280.17 21.30 -1 3 0 273.47 20.20 0 -3 0 707.63 41.20 0 -3 0 765.12 43.90 0 -3 0 737.73 41.70 0 3 0 819.22 43.00 0 3 0 804.92 42.00 0 3 0 814.72 45.50 -1 -3 0 100.69 15.20 -1 -3 0 99.79 14.40 -1 -3 0 77.49 15.80 1 3 0 122.09 16.70 1 3 0 96.79 14.30 -2 -3 0 170.68 21.60 -2 -3 0 188.08 27.90 -2 -3 0 217.88 19.60 2 3 0 218.28 20.00 2 3 0 165.58 20.40 2 3 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8 -4 0 124.49 25.80 8 -4 0 153.28 22.60 8 -4 0 188.98 27.30 -8 4 0 92.89 20.70 -8 4 0 135.99 27.30 -8 4 0 143.39 24.40 -8 4 0 107.19 22.50 7 -4 0 102.79 19.30 7 -4 0 109.59 23.30 7 -4 0 84.19 17.10 -7 4 0 71.79 16.30 -7 4 0 95.19 19.00 -7 4 0 88.19 20.00 6 -4 0 138.29 21.10 6 -4 0 104.79 19.00 6 -4 0 92.49 21.30 -6 4 0 139.49 21.30 -6 4 0 54.09 14.70 -6 4 0 87.79 17.00 5 -4 0 1.40 5.90 5 -4 0 0.40 6.50 5 -4 0 11.20 8.30 -5 4 0 33.60 11.00 -5 4 0 10.10 9.50 -5 4 0 8.30 7.00 4 -4 0 456.95 32.40 4 -4 0 391.76 31.90 4 -4 0 404.16 28.90 -4 4 0 378.86 31.10 -4 4 0 477.75 33.10 -4 4 0 436.56 26.90 -4 4 0 433.46 33.20 3 -4 0 224.48 27.80 3 -4 0 183.38 17.40 3 -4 0 194.78 25.70 -3 4 0 232.68 26.80 -3 4 0 162.58 22.40 -3 4 0 178.28 15.90 2 -4 0 220.38 18.00 2 -4 0 212.78 20.20 2 -4 0 241.28 22.00 2 -4 0 217.68 20.90 -2 4 0 210.08 18.70 -2 4 0 217.78 20.10 -2 4 0 180.28 22.60 1 -4 0 29.70 8.90 1 -4 0 14.10 7.40 1 -4 0 16.50 8.40 -1 4 0 16.50 7.70 -1 4 0 18.70 8.10 -1 4 0 19.30 8.20 0 -4 0 443.96 30.30 0 -4 0 400.06 29.60 0 -4 0 424.36 29.90 0 -4 0 376.66 30.60 0 4 0 399.26 29.00 0 4 0 376.36 29.00 0 4 0 411.26 32.60 -1 -4 0 320.77 26.80 -1 -4 0 398.36 33.00 -1 -4 0 323.67 26.20 1 4 0 300.47 26.50 1 4 0 330.57 32.00 1 4 0 326.07 26.30 -2 -4 0 48.80 15.50 -2 -4 0 58.89 13.90 -2 -4 0 37.70 12.10 2 4 0 32.50 10.70 2 4 0 47.50 16.90 2 4 0 66.29 14.90 -3 -4 0 519.55 38.60 -3 -4 0 441.66 41.70 -3 -4 0 444.76 34.40 3 4 0 426.56 35.10 3 4 0 478.05 58.99 3 4 0 483.75 36.20 -4 -4 0 113.49 21.00 -4 -4 0 89.59 22.60 -4 -4 0 105.59 21.40 4 4 0 98.29 26.40 4 4 0 114.39 21.40 4 4 0 92.59 19.80 -5 -4 0 119.69 23.40 -5 -4 0 119.19 15.80 -5 -4 0 105.99 20.40 -5 -4 0 143.99 30.90 5 4 0 93.19 19.40 5 4 0 119.19 28.80 5 4 0 109.19 31.40 -6 -4 0 11.70 15.00 -6 -4 0 45.00 10.00 -6 -4 0 23.40 14.30 -6 -4 0 13.60 12.20 6 4 0 11.10 11.60 6 4 0 2.60 9.50 -7 -4 0 76.59 20.20 -7 -4 0 68.19 12.50 -7 -4 0 76.49 22.10 7 4 0 89.79 22.80 7 4 0 40.10 19.20 -8 -4 0 -6.00 4.70 -8 -4 0 3.90 9.90 8 4 0 7.00 13.20 10 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43.30 12.80 -5 7 0 5.60 9.50 4 -7 0 265.87 36.60 4 -7 0 262.67 30.70 4 -7 0 266.37 36.80 -4 7 0 271.97 35.70 -4 7 0 241.98 30.70 3 -7 0 916.41 56.09 3 -7 0 855.01 59.69 3 -7 0 922.01 62.19 -3 7 0 965.10 61.89 -3 7 0 1000.80 61.99 -3 7 0 1018.20 64.49 2 -7 0 707.23 51.49 2 -7 0 649.83 46.90 2 -7 0 739.33 52.49 2 -7 0 667.33 49.99 -2 7 0 647.74 50.69 -2 7 0 692.33 50.79 -2 7 0 798.22 53.99 1 -7 0 72.59 19.10 1 -7 0 71.99 17.80 1 -7 0 52.19 16.00 1 -7 0 47.90 17.20 -1 7 0 61.79 16.10 -1 7 0 46.80 14.90 -1 7 0 78.49 21.60 0 -7 0 9.20 9.50 0 -7 0 29.40 12.50 0 -7 0 6.90 11.10 0 -7 0 1.40 10.50 0 7 0 23.20 12.70 0 7 0 1.00 10.10 0 7 0 18.80 11.30 -1 -7 0 6.00 8.90 -1 -7 0 8.40 10.00 -1 -7 0 -5.40 7.30 -1 -7 0 9.90 9.80 1 7 0 12.10 13.10 1 7 0 5.70 8.50 1 7 0 -8.40 3.80 -2 -7 0 14.60 11.30 -2 -7 0 19.00 14.30 -2 -7 0 38.60 17.20 -2 -7 0 12.00 10.80 2 7 0 32.80 13.00 2 7 0 39.10 15.40 -3 -7 0 157.38 34.60 -3 -7 0 130.59 27.90 -3 -7 0 163.78 28.50 -3 -7 0 152.28 31.20 3 7 0 120.59 26.90 3 7 0 119.99 33.30 3 7 0 123.99 24.10 -4 -7 0 48.20 14.20 -4 -7 0 49.20 22.80 -4 -7 0 27.70 15.20 -4 -7 0 12.00 14.40 4 7 0 34.30 23.80 4 7 0 26.20 16.60 4 7 0 28.70 15.90 -5 -7 0 -4.50 8.40 -5 -7 0 15.00 12.70 -5 -7 0 5.90 15.90 -5 -7 0 0.70 10.60 5 7 0 7.60 10.10 5 7 0 8.50 13.90 5 7 0 20.80 24.10 9 -8 0 100.09 26.10 9 -8 0 109.19 25.50 9 -8 0 105.19 28.80 -9 8 0 91.79 25.90 -9 8 0 82.59 16.90 -9 8 0 73.59 22.80 8 -8 0 -3.40 10.30 8 -8 0 42.60 15.90 8 -8 0 27.40 14.10 -8 8 0 5.50 8.10 -8 8 0 4.00 11.00 -8 8 0 19.60 13.20 7 -8 0 232.78 37.50 7 -8 0 240.38 38.10 7 -8 0 199.68 30.50 -7 8 0 225.58 35.50 -7 8 0 192.48 32.40 -7 8 0 179.08 25.70 6 -8 0 199.38 33.80 6 -8 0 318.57 30.80 6 -8 0 236.08 37.80 -6 8 0 269.87 37.40 -6 8 0 254.97 26.70 -6 8 0 307.87 41.50 5 -8 0 856.01 63.59 5 -8 0 742.63 60.99 5 -8 0 992.60 60.39 -5 8 0 982.70 65.79 -5 8 0 930.11 65.09 -5 8 0 926.81 58.89 4 -8 0 568.24 41.30 4 -8 0 568.64 48.60 4 -8 0 551.74 48.50 -4 8 0 555.64 45.40 -4 8 0 639.34 49.40 -4 8 0 569.74 48.10 3 -8 0 187.88 31.70 3 -8 0 158.48 28.50 3 -8 0 169.18 27.40 3 -8 0 153.28 28.70 -3 8 0 194.88 31.50 -3 8 0 225.68 34.00 -3 8 0 177.28 30.10 2 -8 0 315.97 41.50 2 -8 0 236.58 36.10 2 -8 0 321.27 41.70 2 -8 0 295.07 30.90 -2 8 0 394.76 45.80 -2 8 0 377.86 45.00 -2 8 0 238.48 36.70 1 -8 0 375.66 44.90 1 -8 0 323.17 41.90 1 -8 0 325.87 42.60 1 -8 0 327.07 42.80 -1 8 0 317.87 41.40 -1 8 0 330.37 45.50 0 -8 0 279.67 39.10 0 -8 0 219.08 34.10 0 -8 0 340.47 44.80 0 -8 0 299.17 40.10 0 8 0 293.17 46.80 0 8 0 319.27 41.40 0 8 0 320.77 43.10 -1 -8 0 53.79 16.20 -1 -8 0 28.50 16.90 -1 -8 0 37.50 14.80 -1 -8 0 42.30 15.20 1 8 0 25.20 14.20 1 8 0 33.90 17.70 1 8 0 47.60 21.10 -2 -8 0 15.10 13.10 -2 -8 0 47.40 18.40 -2 -8 0 28.10 18.50 -2 -8 0 37.40 17.90 2 8 0 63.49 18.50 2 8 0 54.79 18.80 2 8 0 37.10 22.50 -3 -8 0 244.88 62.19 -3 -8 0 228.18 36.50 -3 -8 0 213.38 43.50 -3 -8 0 211.48 33.90 3 8 0 231.48 39.40 3 8 0 225.98 47.60 3 8 0 193.08 33.90 -4 -8 0 130.09 30.90 -4 -8 0 134.69 39.30 -4 -8 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6.10 -3 5 -12 4.90 6.70 -3 5 -12 2.20 9.60 3 -5 12 7.80 7.40 3 -5 12 -2.80 6.10 -4 5 -12 9.40 9.20 -4 5 -12 2.00 11.10 -4 5 -12 12.20 9.50 4 -5 12 22.20 9.90 4 -5 12 21.40 12.80 -5 5 -12 15.40 11.30 -5 5 -12 12.00 13.80 -5 5 -12 5.50 10.50 5 -5 12 18.50 11.90 5 -5 12 9.90 10.60 6 4 -12 47.20 18.40 5 4 -12 11.10 12.00 5 4 -12 62.19 11.90 4 4 -12 -4.10 5.70 4 4 -12 8.90 10.80 3 4 -12 3.10 8.80 3 4 -12 3.90 7.30 2 4 -12 41.60 13.00 2 4 -12 58.19 18.20 1 4 -12 96.89 23.10 1 4 -12 66.09 15.50 0 4 -12 18.10 12.30 0 4 -12 -0.10 8.70 0 4 -12 10.40 3.20 -1 4 -12 102.89 24.00 -1 4 -12 117.89 24.10 -1 4 -12 129.69 15.50 1 -4 12 106.89 9.90 1 -4 12 111.39 9.60 -2 4 -12 98.59 22.80 -2 4 -12 86.79 15.50 2 -4 12 77.49 13.10 2 -4 12 78.69 14.60 -3 4 -12 171.88 22.80 -3 4 -12 222.38 34.90 -3 4 -12 216.18 28.60 3 -4 12 195.08 26.30 3 -4 12 214.08 26.30 -4 4 -12 85.89 23.00 -4 4 -12 110.49 19.90 -4 4 -12 98.59 20.20 4 -4 12 109.19 20.60 4 -4 12 39.20 14.00 -5 4 -12 112.39 24.30 -5 4 -12 87.49 20.00 5 -4 12 76.69 19.10 5 -4 12 82.39 21.30 6 3 -12 129.99 26.70 5 3 -12 84.59 20.80 5 3 -12 101.19 15.90 4 3 -12 40.10 14.70 4 3 -12 15.60 9.50 3 3 -12 155.18 26.20 3 3 -12 158.18 22.80 2 3 -12 51.69 15.90 2 3 -12 50.69 14.50 1 3 -12 183.48 31.90 1 3 -12 253.07 35.60 0 3 -12 360.36 33.50 0 3 -12 335.47 19.10 -1 3 -12 124.69 16.50 -1 3 -12 103.99 23.60 -1 3 -12 134.39 15.70 1 -3 12 121.99 19.60 1 -3 12 125.49 11.80 -2 3 -12 36.00 9.20 -2 3 -12 8.60 11.00 -2 3 -12 26.80 9.60 2 -3 12 42.60 11.00 -3 3 -12 6.30 11.40 -3 3 -12 28.50 10.00 -3 3 -12 8.50 7.90 3 -3 12 20.80 10.70 3 -3 12 15.50 9.80 -4 3 -12 156.28 30.20 -4 3 -12 136.09 24.70 -4 3 -12 120.39 21.60 4 -3 12 148.39 26.70 4 -3 12 147.19 24.70 6 2 -12 -0.20 7.20 6 2 -12 -0.50 5.70 5 2 -12 4.40 7.80 5 2 -12 10.90 8.30 4 2 -12 101.49 17.60 4 2 -12 72.69 17.80 3 2 -12 114.19 19.70 3 2 -12 103.39 21.00 2 2 -12 98.99 18.80 2 2 -12 68.89 17.30 1 2 -12 8.50 9.10 1 2 -12 3.90 8.90 0 2 -12 -1.60 3.00 0 2 -12 7.70 9.50 0 2 -12 5.70 4.70 -1 2 -12 79.69 12.50 -1 2 -12 76.89 20.90 -1 2 -12 93.39 15.40 1 -2 12 78.99 12.90 1 -2 12 101.69 14.90 -2 2 -12 247.48 24.00 -2 2 -12 236.58 21.90 -2 2 -12 249.97 37.00 2 -2 12 174.08 23.50 2 -2 12 242.48 28.60 -3 2 -12 -1.60 7.40 -3 2 -12 -0.20 6.30 -3 2 -12 12.70 12.50 3 -2 12 8.70 8.60 3 -2 12 5.00 8.50 -4 2 -12 -1.90 8.40 -4 2 -12 23.60 11.80 -4 2 -12 -6.20 5.10 4 -2 12 -5.90 7.40 4 -2 12 3.40 8.90 6 1 -12 25.60 9.80 6 1 -12 12.00 8.50 5 1 -12 41.30 11.60 5 1 -12 44.40 13.10 4 1 -12 45.20 13.50 4 1 -12 18.90 10.40 3 1 -12 33.70 11.90 3 1 -12 11.00 9.30 2 1 -12 132.49 22.80 2 1 -12 204.68 29.40 1 1 -12 66.19 17.90 1 1 -12 53.79 6.70 1 1 -12 31.20 6.00 0 1 -12 162.68 26.90 0 1 -12 167.88 20.20 0 1 -12 182.48 15.30 0 -1 12 149.39 13.10 0 -1 12 137.59 12.40 -1 1 -12 14.00 8.70 -1 1 -12 10.90 6.70 -1 1 -12 29.80 15.40 1 -1 12 16.80 7.30 1 -1 12 9.50 8.30 -2 1 -12 89.59 20.60 -2 1 -12 63.79 15.60 -2 1 -12 68.09 14.10 2 -1 12 81.29 17.80 2 -1 12 56.99 14.00 -3 1 -12 -6.70 7.40 -3 1 -12 1.10 7.90 -3 1 -12 9.50 8.20 3 -1 12 12.60 10.60 3 -1 12 5.00 8.30 6 0 -12 6.30 7.40 5 0 -12 80.39 17.00 4 0 -12 73.29 14.60 4 0 -12 48.20 13.80 3 0 -12 95.69 20.60 3 0 -12 110.19 20.20 2 0 -12 -1.10 8.10 2 0 -12 22.30 4.40 1 0 -12 59.49 11.10 1 0 -12 77.19 19.00 1 0 -12 89.19 11.70 -1 0 12 69.39 6.60 -1 0 12 72.49 6.80 0 0 -12 73.29 15.00 0 0 -12 85.69 19.70 0 0 -12 87.69 14.20 0 0 12 96.49 15.40 0 0 12 75.89 12.90 -1 0 -12 69.39 19.80 -1 0 -12 57.59 15.20 -1 0 -12 32.70 10.40 1 0 12 47.80 12.80 1 0 12 88.49 16.20 -2 0 -12 14.90 9.10 -2 0 -12 -0.60 7.90 -2 0 -12 3.00 9.60 -2 0 -12 -2.20 14.80 2 0 12 3.20 7.00 2 0 12 0.90 8.70 6 -1 -12 22.60 9.60 5 -1 -12 11.70 9.90 5 -1 -12 1.80 4.00 4 -1 -12 55.89 14.90 4 -1 -12 61.89 12.90 4 -1 -12 103.29 20.60 3 -1 -12 115.69 11.10 3 -1 -12 118.19 25.60 3 -1 -12 94.59 17.80 3 -1 -12 127.29 10.30 3 -1 -12 123.09 22.60 2 -1 -12 0.70 4.10 2 -1 -12 7.80 11.00 2 -1 -12 5.90 5.50 2 -1 -12 14.30 14.00 -2 1 12 2.20 2.40 -2 1 12 0.70 2.30 1 -1 -12 3.80 5.30 1 -1 -12 -4.50 10.20 1 -1 -12 1.90 6.10 1 -1 -12 -0.50 8.90 -1 1 12 -4.80 4.40 -1 1 12 -3.80 3.40 0 -1 -12 8.10 15.60 0 -1 -12 44.80 11.80 0 -1 -12 56.99 14.80 0 -1 -12 51.69 16.90 0 1 12 42.00 12.80 -1 -1 -12 118.29 33.30 -1 -1 -12 126.39 25.50 -1 -1 -12 117.29 19.80 -1 -1 -12 83.89 19.80 1 1 12 108.59 21.40 1 1 12 121.79 20.90 5 -2 -12 23.30 6.60 4 -2 -12 12.40 7.30 4 -2 -12 -1.20 6.30 4 -2 -12 11.60 5.70 4 -2 -12 2.90 4.30 3 -2 -12 19.80 7.40 3 -2 -12 9.50 11.00 3 -2 -12 42.40 9.50 -3 2 12 21.80 5.00 -3 2 12 32.80 8.80 2 -2 -12 136.09 31.30 2 -2 -12 114.59 18.50 2 -2 -12 123.09 17.20 -2 2 12 127.59 17.10 -2 2 12 105.89 21.70 1 -2 -12 25.90 11.30 1 -2 -12 88.89 20.50 1 -2 -12 55.89 13.70 1 -2 -12 34.00 19.90 -1 2 12 60.79 14.20 0 -2 -12 4.80 9.40 0 -2 -12 11.90 11.50 0 -2 -12 3.70 7.00 0 -2 -12 16.40 18.10 0 2 12 5.50 7.40 0 2 12 6.40 9.60 1 8 -13 80.99 10.50 1 8 -13 92.79 20.90 1 8 -13 78.09 25.90 0 8 -13 31.00 16.20 0 8 -13 42.20 9.30 0 8 -13 23.20 17.20 -1 8 -13 218.38 36.30 -1 8 -13 221.68 21.00 -1 8 -13 170.08 21.00 -1 8 -13 186.18 38.90 1 -8 13 219.58 15.30 1 -8 13 204.18 16.10 -2 8 -13 7.80 13.40 -2 8 -13 9.90 8.00 -2 8 -13 13.60 9.10 -2 8 -13 2.20 11.30 2 -8 13 16.20 7.90 2 -8 13 3.80 5.90 -3 8 -13 53.49 32.00 -3 8 -13 20.60 11.20 -3 8 -13 12.40 14.30 3 -8 13 55.79 14.80 3 -8 13 34.20 11.70 3 7 -13 67.39 16.50 3 7 -13 126.69 31.40 2 7 -13 148.59 33.70 2 7 -13 172.38 26.70 1 7 -13 1.80 12.00 1 7 -13 41.20 14.90 0 7 -13 -3.50 9.10 0 7 -13 18.90 5.70 0 7 -13 15.00 14.90 -1 7 -13 52.49 20.10 -1 7 -13 31.90 8.30 -1 7 -13 39.00 18.10 1 -7 13 32.20 5.30 -2 7 -13 153.78 20.80 -2 7 -13 166.18 22.60 -2 7 -13 166.08 36.00 -2 7 -13 149.39 30.70 2 -7 13 170.28 15.60 2 -7 13 158.18 20.00 -3 7 -13 32.40 12.40 -3 7 -13 51.49 19.20 -3 7 -13 37.50 12.00 -3 7 -13 35.10 15.10 3 -7 13 30.60 11.20 3 6 -13 84.59 17.10 3 6 -13 132.49 30.60 2 6 -13 -0.70 7.70 2 6 -13 2.90 10.50 1 6 -13 12.00 12.90 1 6 -13 43.90 15.50 0 6 -13 55.19 17.70 0 6 -13 79.09 23.20 -1 6 -13 5.10 11.70 -1 6 -13 5.40 5.20 -1 6 -13 3.10 11.90 -1 6 -13 10.30 5.90 -2 6 -13 128.69 17.80 -2 6 -13 139.69 30.20 -2 6 -13 51.89 19.40 -2 6 -13 100.89 16.80 2 -6 13 122.39 15.60 2 -6 13 75.29 20.30 -3 6 -13 65.89 24.30 -3 6 -13 71.89 16.00 -3 6 -13 51.29 14.50 -3 6 -13 96.29 25.80 3 -6 13 28.00 9.30 4 5 -13 8.00 11.20 4 5 -13 9.00 8.60 3 5 -13 11.70 9.80 3 5 -13 8.30 11.90 2 5 -13 7.20 8.90 2 5 -13 -11.30 5.90 1 5 -13 29.70 14.40 1 5 -13 55.29 18.80 0 5 -13 43.40 15.40 0 5 -13 64.49 20.50 -1 5 -13 23.60 15.60 -1 5 -13 11.20 11.90 -1 5 -13 25.80 7.60 -1 5 -13 24.70 6.80 -2 5 -13 10.50 12.70 -2 5 -13 18.90 8.80 -2 5 -13 26.20 15.20 2 -5 13 7.70 9.70 2 -5 13 7.60 5.60 -3 5 -13 -9.90 8.40 -3 5 -13 4.20 6.60 -3 5 -13 4.00 7.50 3 -5 13 11.70 8.60 4 4 -13 27.40 13.70 4 4 -13 6.30 7.70 3 4 -13 282.57 27.90 2 4 -13 50.49 17.20 1 4 -13 49.80 17.40 1 4 -13 69.29 18.70 0 4 -13 4.80 10.60 0 4 -13 -6.20 7.00 -1 4 -13 84.19 24.30 -1 4 -13 51.99 17.50 -1 4 -13 33.80 8.60 -2 4 -13 181.18 22.80 -2 4 -13 168.08 20.40 -2 4 -13 148.99 28.40 2 -4 13 151.98 18.70 2 -4 13 162.28 20.10 -3 4 -13 77.39 17.50 -3 4 -13 32.80 17.30 -3 4 -13 85.19 16.70 3 -4 13 73.49 16.10 3 -4 13 54.49 14.50 5 3 -13 88.39 20.80 5 3 -13 90.99 16.20 4 3 -13 28.30 11.00 4 3 -13 40.80 15.10 3 3 -13 77.99 16.90 3 3 -13 52.19 16.40 2 3 -13 42.10 16.50 2 3 -13 36.30 14.80 1 3 -13 72.09 19.40 1 3 -13 63.09 19.80 0 3 -13 183.28 30.20 0 3 -13 164.68 31.30 0 3 -13 164.68 9.70 0 3 -13 172.88 10.40 -1 3 -13 25.70 7.80 -1 3 -13 46.40 9.30 -1 3 -13 0.20 9.50 1 -3 13 28.00 7.20 1 -3 13 27.80 5.80 -2 3 -13 36.10 10.10 -2 3 -13 33.10 11.10 -2 3 -13 64.19 19.60 2 -3 13 23.90 8.80 2 -3 13 53.89 12.80 -3 3 -13 76.39 15.80 -3 3 -13 51.29 15.50 -3 3 -13 108.39 25.70 3 -3 13 82.19 17.80 3 -3 13 71.59 17.60 5 2 -13 5.30 8.70 5 2 -13 3.40 7.70 4 2 -13 53.79 17.00 4 2 -13 77.59 16.70 3 2 -13 6.40 8.60 3 2 -13 -0.30 7.10 2 2 -13 -3.70 6.50 2 2 -13 1.70 7.80 1 2 -13 -1.20 8.00 1 2 -13 11.80 12.10 0 2 -13 474.35 25.80 0 2 -13 480.05 27.40 0 2 -13 449.16 41.70 -1 2 -13 11.70 11.60 -1 2 -13 6.60 7.00 -1 2 -13 21.50 7.50 1 -2 13 8.20 5.80 1 -2 13 29.20 7.80 -2 2 -13 33.10 10.00 -2 2 -13 31.70 13.70 -2 2 -13 26.60 10.70 2 -2 13 21.00 9.60 5 1 -13 13.90 10.70 5 1 -13 4.90 8.40 4 1 -13 15.30 11.80 4 1 -13 28.00 11.40 3 1 -13 86.39 20.20 2 1 -13 44.20 15.40 2 1 -13 53.79 16.40 1 1 -13 41.80 5.00 1 1 -13 51.79 16.60 1 1 -13 39.90 5.60 0 1 -13 -6.00 6.70 0 1 -13 -0.60 6.50 0 1 -13 3.80 6.00 0 -1 13 3.00 2.70 0 -1 13 1.10 3.70 -1 1 -13 140.89 21.40 -1 1 -13 136.79 18.60 -1 1 -13 152.88 28.80 1 -1 13 146.89 19.90 1 -1 13 110.19 16.70 -2 1 -13 27.70 11.30 2 -1 13 44.40 12.50 2 -1 13 80.39 17.80 4 0 -13 105.89 20.80 4 0 -13 116.89 19.60 3 0 -13 1.00 8.10 3 0 -13 -5.90 5.50 2 0 -13 154.08 26.60 2 0 -13 133.89 24.10 1 0 -13 11.50 6.60 1 0 -13 24.60 14.20 1 0 -13 16.50 5.80 0 0 -13 22.90 14.20 0 0 -13 35.00 11.00 0 0 -13 8.50 6.60 0 0 13 19.40 7.80 0 0 13 27.60 9.00 3 -1 -13 55.39 20.70 3 -1 -13 46.50 4.40 3 -1 -13 62.29 17.70 3 -1 -13 41.50 12.70 3 -1 -13 34.10 4.60 2 -1 -13 1.70 7.40 2 -1 -13 -3.50 9.70 2 -1 -13 -3.30 11.30 1 -1 -13 25.00 9.30 1 -1 -13 6.70 14.90 1 -1 -13 39.10 9.60 1 -1 -13 51.69 17.40 -1 1 13 43.50 9.40 -1 1 13 33.10 8.60 2 6 -14 236.28 34.20 1 6 -14 3.30 11.80 1 6 -14 23.80 14.50 0 6 -14 -0.40 10.90 0 6 -14 -1.50 8.40 -1 6 -14 42.00 8.10 -1 6 -14 18.10 16.60 -1 6 -14 1.70 11.50 2 5 -14 40.50 17.20 2 5 -14 8.50 10.90 1 5 -14 115.59 28.20 1 5 -14 77.59 21.00 0 5 -14 137.79 27.60 0 5 -14 127.49 29.80 -1 5 -14 15.70 15.10 -1 5 -14 36.60 7.90 -1 5 -14 21.60 13.60 3 4 -14 3.90 8.90 3 4 -14 -3.40 8.10 2 4 -14 -3.20 7.20 2 4 -14 15.80 11.80 1 4 -14 126.59 25.70 1 4 -14 83.69 23.40 0 4 -14 18.40 15.10 0 4 -14 26.80 16.50 -1 4 -14 0.40 11.20 -1 4 -14 -7.70 8.00 -1 4 -14 7.80 5.50 -1 4 -14 1.60 4.40 3 3 -14 16.40 14.80 3 3 -14 6.20 10.10 2 3 -14 6.00 10.60 2 3 -14 7.20 10.90 1 3 -14 30.30 15.90 1 3 -14 23.90 14.30 0 3 -14 34.70 16.20 0 3 -14 0.30 11.30 -1 3 -14 22.90 15.50 -1 3 -14 43.90 10.00 -1 3 -14 16.40 6.50 3 2 -14 7.80 10.00 3 2 -14 24.40 13.50 2 2 -14 64.99 18.00 2 2 -14 121.19 26.20 1 2 -14 168.18 28.80 1 2 -14 193.28 33.20 0 2 -14 145.39 28.60 0 2 -14 164.18 11.20 0 2 -14 151.88 12.00 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 33515 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' 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 Co1 Co 0.89423(5) 0.67304(4) 0.87704(4) 0.01442(12) Uani 1 1 d . . . . . O1 O 0.0858(3) 0.4534(2) 0.29929(19) 0.0214(5) Uani 1 1 d . . . . . O2 O 0.6577(3) 0.9012(2) 0.9020(2) 0.0234(5) Uani 1 1 d . . . . . O3 O 0.3962(3) 0.3326(3) 0.5850(2) 0.0304(6) Uani 1 1 d . . . . . H3 H 0.392123 0.259426 0.608048 0.046 Uiso 1 1 calc R U . . . O4 O 0.6607(3) 0.6601(2) 0.8155(2) 0.0207(5) Uani 1 1 d . . . . . O5 O 0.4172(3) 1.0887(2) 0.6315(2) 0.0250(5) Uani 1 1 d . . . . . O6 O 0.3226(3) 0.4321(2) 0.7692(2) 0.0221(5) Uani 1 1 d . . . . . O7 O 0.1047(3) 0.6877(3) 0.3119(2) 0.0318(6) Uani 1 1 d . . . . . O8 O 0.2251(3) 0.9491(3) 0.4596(2) 0.0278(5) Uani 1 1 d . . . . . N1 N 0.9982(3) 0.8781(3) 0.8431(2) 0.0155(5) Uani 1 1 d . . . . . N2 N 0.7963(3) 0.4840(3) 0.9314(2) 0.0162(5) Uani 1 1 d . . . . . N3 N 1.0668(3) 1.1500(3) 0.9404(2) 0.0152(5) Uani 1 1 d . . . . . N4 N 0.8799(3) 0.3410(3) 1.0372(2) 0.0148(5) Uani 1 1 d . . . . . C1 C 0.4677(4) 0.7274(3) 0.7106(3) 0.0159(6) Uani 1 1 d . . . . . C2 C 0.6063(4) 0.7698(3) 0.8206(3) 0.0159(6) Uani 1 1 d . . . . . C3 C 0.1366(4) 0.5971(3) 0.3583(3) 0.0181(6) Uani 1 1 d . . . . . C4 C 0.3673(4) 0.5749(3) 0.6374(3) 0.0152(6) Uani 1 1 d . . . . . C5 C 0.2610(4) 0.5440(3) 0.5277(3) 0.0174(6) Uani 1 1 d . . . . . H5 H 0.196199 0.439316 0.476644 0.021 Uiso 1 1 calc R U . . . C6 C 0.7190(4) 0.2504(3) 1.0167(3) 0.0191(6) Uani 1 1 d . . . . . H6 H 0.691819 0.169451 1.047182 0.023 Uiso 1 1 calc R U . . . C7 C 0.6357(4) 0.3933(3) 0.9123(3) 0.0194(6) Uani 1 1 d . . . . . H7 H 0.550213 0.412744 0.870114 0.023 Uiso 1 1 calc R U . . . C8 C 1.0181(3) 1.0075(3) 0.9408(3) 0.0135(6) Uani 1 1 d . . . . . C9 C 0.2451(4) 0.6601(3) 0.4890(3) 0.0157(6) Uani 1 1 d . . . . . C10 C 0.3373(4) 0.8156(3) 0.5681(3) 0.0164(6) Uani 1 1 d . . . . . C11 C 1.0206(4) 0.8921(4) 0.7340(3) 0.0195(6) Uani 1 1 d . . . . . H11 H 1.007850 0.802376 0.662499 0.023 Uiso 1 1 calc R U . . . C12 C 0.4479(4) 0.8443(3) 0.6756(3) 0.0166(6) Uani 1 1 d . . . . . H12 H 0.513059 0.948649 0.727388 0.020 Uiso 1 1 calc R U . . . C13 C 1.0618(4) 1.0335(4) 0.7225(3) 0.0202(7) Uani 1 1 d . . . . . H13 H 1.072256 1.042029 0.643895 0.024 Uiso 1 1 calc R U . . . C14 C 0.9111(4) 0.4523(3) 0.9914(3) 0.0145(6) Uani 1 1 d . . . . . C15 C 1.0873(4) 1.1621(4) 0.8302(3) 0.0196(6) Uani 1 1 d . . . . . H15 H 1.120229 1.261511 0.825984 0.023 Uiso 1 1 calc R U . . . C16 C 0.3296(4) 0.9613(3) 0.5526(3) 0.0175(6) Uani 1 1 d . . . . . C17 C 0.5918(4) 0.2721(4) 0.9524(3) 0.0203(6) Uani 1 1 d . . . . . H17 H 0.478193 0.205955 0.936335 0.024 Uiso 1 1 calc R U . . . C18 C 0.3624(4) 0.4404(3) 0.6732(3) 0.0180(6) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Co1 0.0170(2) 0.0101(2) 0.0153(2) 0.00519(16) -0.00133(15) 0.00424(16) O1 0.0281(12) 0.0165(11) 0.0172(11) 0.0048(9) 0.0012(9) 0.0071(10) O2 0.0252(12) 0.0165(12) 0.0223(11) 0.0024(10) -0.0046(9) 0.0068(10) O3 0.0529(16) 0.0163(12) 0.0321(13) 0.0131(10) 0.0140(12) 0.0200(12) O4 0.0192(11) 0.0133(11) 0.0297(12) 0.0099(9) -0.0036(9) 0.0059(9) O5 0.0318(13) 0.0115(11) 0.0291(12) 0.0069(10) -0.0031(10) 0.0073(10) O6 0.0242(12) 0.0192(12) 0.0255(12) 0.0134(10) 0.0050(9) 0.0058(9) O7 0.0482(15) 0.0222(13) 0.0245(12) 0.0084(10) -0.0094(11) 0.0163(12) O8 0.0406(14) 0.0203(12) 0.0267(12) 0.0092(10) -0.0045(10) 0.0185(11) N1 0.0170(12) 0.0134(12) 0.0163(12) 0.0074(10) 0.0021(10) 0.0038(10) N2 0.0180(13) 0.0125(12) 0.0175(12) 0.0062(10) -0.0007(10) 0.0049(10) N3 0.0153(12) 0.0131(12) 0.0174(12) 0.0072(10) 0.0019(10) 0.0039(10) N4 0.0192(13) 0.0105(12) 0.0146(12) 0.0045(10) 0.0007(10) 0.0059(10) C1 0.0166(15) 0.0135(15) 0.0170(14) 0.0055(12) -0.0001(12) 0.0055(12) C2 0.0137(14) 0.0167(15) 0.0181(15) 0.0095(13) 0.0021(12) 0.0032(12) C3 0.0211(16) 0.0152(15) 0.0158(14) 0.0034(12) 0.0012(12) 0.0066(13) C4 0.0158(14) 0.0139(15) 0.0181(15) 0.0069(12) 0.0031(12) 0.0075(12) C5 0.0183(15) 0.0113(14) 0.0196(15) 0.0031(12) 0.0009(12) 0.0048(12) C6 0.0245(16) 0.0141(15) 0.0173(15) 0.0046(12) 0.0057(12) 0.0063(13) C7 0.0179(15) 0.0172(16) 0.0211(16) 0.0067(13) -0.0003(12) 0.0051(13) C8 0.0119(14) 0.0119(14) 0.0149(14) 0.0053(11) -0.0010(11) 0.0023(11) C9 0.0170(15) 0.0132(14) 0.0171(14) 0.0050(12) 0.0019(12) 0.0069(12) C10 0.0192(15) 0.0145(15) 0.0185(15) 0.0086(12) 0.0041(12) 0.0076(12) C11 0.0197(16) 0.0187(16) 0.0165(15) 0.0045(13) 0.0015(12) 0.0048(13) C12 0.0168(15) 0.0131(15) 0.0201(15) 0.0060(12) 0.0015(12) 0.0063(12) C13 0.0231(16) 0.0251(17) 0.0174(15) 0.0132(13) 0.0050(13) 0.0092(14) C14 0.0184(15) 0.0123(14) 0.0141(14) 0.0043(11) 0.0017(11) 0.0086(12) C15 0.0211(16) 0.0170(16) 0.0228(16) 0.0119(13) 0.0036(13) 0.0050(13) C16 0.0201(15) 0.0161(16) 0.0201(15) 0.0078(13) 0.0048(12) 0.0105(13) C17 0.0149(15) 0.0184(16) 0.0237(16) 0.0073(13) 0.0008(12) 0.0023(12) C18 0.0149(15) 0.0129(15) 0.0220(16) 0.0055(12) -0.0027(12) 0.0019(12) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 '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' Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 Co1 N1 89.26(9) 2_666 . ? O1 Co1 N2 96.65(9) 2_666 . ? O1 Co1 N3 164.72(9) 2_666 2_777 ? O1 Co1 N4 92.40(9) 2_666 2_767 ? O4 Co1 O1 92.20(9) . 2_666 ? O4 Co1 N1 90.33(9) . . ? O4 Co1 N2 91.10(9) . . ? O4 Co1 N3 96.31(9) . 2_777 ? O4 Co1 N4 168.54(9) . 2_767 ? N1 Co1 N3 78.05(9) . 2_777 ? N1 Co1 N4 100.22(9) . 2_767 ? N2 Co1 N1 173.86(9) . . ? N2 Co1 N3 95.86(9) . 2_777 ? N2 Co1 N4 77.94(9) . 2_767 ? N3 Co1 N4 81.66(9) 2_777 2_767 ? C3 O1 Co1 130.07(19) . 2_666 ? C18 O3 H3 109.5 . . ? C2 O4 Co1 129.05(19) . . ? C8 N1 Co1 113.86(18) . . ? C8 N1 C11 116.8(2) . . ? C11 N1 Co1 128.4(2) . . ? C7 N2 Co1 128.4(2) . . ? C14 N2 Co1 114.72(19) . . ? C14 N2 C7 116.9(2) . . ? C8 N3 Co1 113.10(18) . 2_777 ? C8 N3 C15 116.8(3) . . ? C15 N3 Co1 130.1(2) . 2_777 ? C6 N4 Co1 130.07(19) . 2_767 ? C14 N4 Co1 113.10(19) . 2_767 ? C14 N4 C6 116.7(3) . . ? C4 C1 C2 122.6(2) . . ? C4 C1 C12 118.3(3) . . ? C12 C1 C2 118.8(3) . . ? O2 C2 O4 126.6(3) . . ? O2 C2 C1 119.4(3) . . ? O4 C2 C1 114.0(3) . . ? O1 C3 O7 122.5(3) . . ? O1 C3 C9 116.6(2) . . ? O7 C3 C9 120.8(3) . . ? C1 C4 C18 123.4(3) . . ? C5 C4 C1 119.1(3) . . ? C5 C4 C18 117.5(3) . . ? C4 C5 H5 118.6 . . ? C4 C5 C9 122.9(3) . . ? C9 C5 H5 118.6 . . ? N4 C6 H6 119.2 . . ? N4 C6 C17 121.6(3) . . ? C17 C6 H6 119.2 . . ? N2 C7 H7 119.3 . . ? N2 C7 C17 121.5(3) . . ? C17 C7 H7 119.3 . . ? N1 C8 N3 125.7(3) . . ? N1 C8 C8 117.4(3) . 2_777 ? N3 C8 C8 116.9(3) . 2_777 ? C5 C9 C3 113.2(3) . . ? C5 C9 C10 118.0(3) . . ? C10 C9 C3 128.5(3) . . ? C9 C10 C16 127.8(3) . . ? C12 C10 C9 118.2(3) . . ? C12 C10 C16 113.9(3) . . ? N1 C11 H11 119.1 . . ? N1 C11 C13 121.7(3) . . ? C13 C11 H11 119.1 . . ? C1 C12 C10 123.2(3) . . ? C1 C12 H12 118.4 . . ? C10 C12 H12 118.4 . . ? C11 C13 H13 121.4 . . ? C11 C13 C15 117.3(3) . . ? C15 C13 H13 121.4 . . ? N2 C14 N4 125.8(3) . . ? N2 C14 C14 117.3(3) . 2_767 ? N4 C14 C14 116.8(3) . 2_767 ? N3 C15 C13 121.6(3) . . ? N3 C15 H15 119.2 . . ? C13 C15 H15 119.2 . . ? O5 C16 O8 120.9(3) . . ? O5 C16 C10 119.6(3) . . ? O8 C16 C10 119.5(3) . . ? C6 C17 C7 117.5(3) . . ? C6 C17 H17 121.2 . . ? C7 C17 H17 121.2 . . ? O3 C18 C4 112.1(2) . . ? O6 C18 O3 125.4(3) . . ? O6 C18 C4 122.4(3) . . ? 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 Co1 O1 2.044(2) 2_666 ? Co1 O4 2.016(2) . ? Co1 N1 2.122(2) . ? Co1 N2 2.115(2) . ? Co1 N3 2.151(2) 2_777 ? Co1 N4 2.165(2) 2_767 ? O1 C3 1.253(4) . ? O2 C2 1.228(4) . ? O3 H3 0.8400 . ? O3 C18 1.317(4) . ? O4 C2 1.283(3) . ? O5 C16 1.227(4) . ? O6 C18 1.207(4) . ? O7 C3 1.267(4) . ? O8 C16 1.292(4) . ? N1 C8 1.333(4) . ? N1 C11 1.337(4) . ? N2 C7 1.340(4) . ? N2 C14 1.331(4) . ? N3 C8 1.335(4) . ? N3 C15 1.339(4) . ? N4 C6 1.340(4) . ? N4 C14 1.337(4) . ? C1 C2 1.518(4) . ? C1 C4 1.392(4) . ? C1 C12 1.393(4) . ? C3 C9 1.527(4) . ? C4 C5 1.386(4) . ? C4 C18 1.505(4) . ? C5 H5 0.9500 . ? C5 C9 1.398(4) . ? C6 H6 0.9500 . ? C6 C17 1.380(4) . ? C7 H7 0.9500 . ? C7 C17 1.381(4) . ? C8 C8 1.472(5) 2_777 ? C9 C10 1.413(4) . ? C10 C12 1.393(4) . ? C10 C16 1.522(4) . ? C11 H11 0.9500 . ? C11 C13 1.381(4) . ? C12 H12 0.9500 . ? C13 H13 0.9500 . ? C13 C15 1.383(4) . ? C14 C14 1.477(6) 2_767 ? C15 H15 0.9500 . ? C17 H17 0.9500 . ? 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 Co1 O1 C3 O7 51.1(4) 2_666 . . . ? Co1 O1 C3 C9 -126.9(2) 2_666 . . . ? Co1 O4 C2 O2 -31.2(4) . . . . ? Co1 O4 C2 C1 147.2(2) . . . . ? Co1 N1 C8 N3 -173.8(2) . . . . ? Co1 N1 C8 C8 5.6(4) . . . 2_777 ? Co1 N1 C11 C13 168.2(2) . . . . ? Co1 N2 C7 C17 179.1(2) . . . . ? Co1 N2 C14 N4 178.4(2) . . . . ? Co1 N2 C14 C14 -1.8(4) . . . 2_767 ? Co1 N3 C8 N1 -174.3(2) 2_777 . . . ? Co1 N3 C8 C8 6.2(4) 2_777 . . 2_777 ? Co1 N3 C15 C13 177.4(2) 2_777 . . . ? Co1 N4 C6 C17 -175.5(2) 2_767 . . . ? Co1 N4 C14 N2 178.3(2) 2_767 . . . ? Co1 N4 C14 C14 -1.4(4) 2_767 . . 2_767 ? O1 C3 C9 C5 -4.7(4) . . . . ? O1 C3 C9 C10 170.4(3) . . . . ? O7 C3 C9 C5 177.2(3) . . . . ? O7 C3 C9 C10 -7.7(5) . . . . ? N1 C11 C13 C15 3.1(4) . . . . ? N2 C7 C17 C6 2.0(5) . . . . ? N4 C6 C17 C7 -1.5(5) . . . . ? C1 C4 C5 C9 -2.4(4) . . . . ? C1 C4 C18 O3 -124.5(3) . . . . ? C1 C4 C18 O6 59.3(4) . . . . ? C2 C1 C4 C5 -170.3(3) . . . . ? C2 C1 C4 C18 12.1(4) . . . . ? C2 C1 C12 C10 172.7(3) . . . . ? C3 C9 C10 C12 -170.3(3) . . . . ? C3 C9 C10 C16 10.9(5) . . . . ? C4 C1 C2 O2 -159.4(3) . . . . ? C4 C1 C2 O4 22.1(4) . . . . ? C4 C1 C12 C10 -2.6(4) . . . . ? C4 C5 C9 C3 173.3(3) . . . . ? C4 C5 C9 C10 -2.4(4) . . . . ? C5 C4 C18 O3 57.9(4) . . . . ? C5 C4 C18 O6 -118.4(3) . . . . ? C5 C9 C10 C12 4.6(4) . . . . ? C5 C9 C10 C16 -174.2(3) . . . . ? C6 N4 C14 N2 2.5(4) . . . . ? C6 N4 C14 C14 -177.2(3) . . . 2_767 ? C7 N2 C14 N4 -2.1(4) . . . . ? C7 N2 C14 C14 177.7(3) . . . 2_767 ? C8 N1 C11 C13 -0.2(4) . . . . ? C8 N3 C15 C13 -1.0(4) . . . . ? C9 C10 C12 C1 -2.2(4) . . . . ? C9 C10 C16 O5 179.0(3) . . . . ? C9 C10 C16 O8 2.3(5) . . . . ? C11 N1 C8 N3 -3.8(4) . . . . ? C11 N1 C8 C8 175.7(3) . . . 2_777 ? C11 C13 C15 N3 -2.5(4) . . . . ? C12 C1 C2 O2 25.6(4) . . . . ? C12 C1 C2 O4 -152.9(3) . . . . ? C12 C1 C4 C5 4.8(4) . . . . ? C12 C1 C4 C18 -172.8(3) . . . . ? C12 C10 C16 O5 0.1(4) . . . . ? C12 C10 C16 O8 -176.6(3) . . . . ? C14 N2 C7 C17 -0.3(4) . . . . ? C14 N4 C6 C17 -0.6(4) . . . . ? C15 N3 C8 N1 4.3(4) . . . . ? C15 N3 C8 C8 -175.1(3) . . . 2_777 ? C16 C10 C12 C1 176.8(3) . . . . ? C18 C4 C5 C9 175.3(3) . . . . ?