#------------------------------------------------------------------------------ #$Date: 2016-08-07 11:22:58 +0300 (Sun, 07 Aug 2016) $ #$Revision: 185228 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/52/7225239.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_7225239 loop_ _publ_author_name 'Guo, Hai-Yang' 'Zhang, Xiao' 'Cui, Xiao-Bing' 'Huo, Qi-Sheng' 'Xu, Ji-Qing' _publ_section_title ; Vanadoantimonates: from discrete clusters to high dimensional aggregates ; _journal_issue 27 _journal_name_full CrystEngComm _journal_page_first 5130 _journal_paper_doi 10.1039/C6CE00616G _journal_volume 18 _journal_year 2016 _chemical_formula_sum 'C18 H70 Co2 N12 O47 Sb8 V14' _chemical_formula_weight 3011.88 _space_group_crystal_system monoclinic _space_group_IT_number 15 _space_group_name_Hall '-C 2yc' _space_group_name_H-M_alt 'C 1 2/c 1' _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2014/7 _audit_update_record ; 2016-04-26 deposited with the CCDC. 2016-05-13 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 128.43(3) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 29.050(6) _cell_length_b 15.812(3) _cell_length_c 21.821(4) _cell_measurement_reflns_used 31845 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 27.57 _cell_measurement_theta_min 2.99 _cell_volume 7852(4) _computing_cell_refinement 'Bruker XSCANS' _computing_data_collection 'Bruker XSCANS' _computing_data_reduction 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_molecular_graphics 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_publication_material 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_structure_solution 'SHELXL-2014/7 (Sheldrick, 2014)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measurement_device_type 'Bruker P4' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0383 _diffrn_reflns_av_unetI/netI 0.0383 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_limit_h_max 37 _diffrn_reflns_limit_h_min -37 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_limit_l_min -28 _diffrn_reflns_number 35205 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.996 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.479 _diffrn_reflns_theta_min 3.117 _exptl_absorpt_coefficient_mu 4.778 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_correction_T_min 0.3399 _exptl_absorpt_correction_type empirical _exptl_crystal_colour black _exptl_crystal_density_diffrn 2.548 _exptl_crystal_description polyhedron _exptl_crystal_F_000 5688 _exptl_crystal_size_max 0.250 _exptl_crystal_size_mid 0.210 _exptl_crystal_size_min 0.150 _refine_diff_density_max 1.934 _refine_diff_density_min -1.075 _refine_diff_density_rms 0.172 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.080 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 458 _refine_ls_number_reflns 8977 _refine_ls_number_restraints 204 _refine_ls_restrained_S_all 1.154 _refine_ls_R_factor_all 0.0533 _refine_ls_R_factor_gt 0.0405 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0383P)^2^+99.4410P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0949 _refine_ls_wR_factor_ref 0.0988 _reflns_Friedel_coverage 0.000 _reflns_number_gt 7301 _reflns_number_total 8977 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c6ce00616g2.cif _cod_data_source_block shelx_5 _cod_depositor_comments 'Adding full bibliography for 7225235--7225239.cif.' _cod_database_code 7225239 _shelx_shelxl_version_number 2014/7 _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_min 0.381 _shelx_estimated_absorpt_t_max 0.534 _shelx_res_file ; shelx.res created by SHELXL-2014/7 TITL K in C2/c CELL 0.71073 29.0499 15.8115 21.8213 90.000 128.425 90.000 ZERR 4.00 0.0058 0.0032 0.0044 0.000 0.030 0.000 LATT 7 SYMM -X, Y, 0.5-Z SFAC C H N O V CO SB UNIT 72 280 48 188 56 8 32 L.S. 14 BOND FMAP 2 PLAN 20 SIZE 0.25*0.21*0.15 ISOR 0.001 c8 c9 c4 acta SIMU 0.02 0.04 3.8 $c SIMU 0.02 0.04 3.8 $h delu 0.02 c3 c4 delu 0.02 c4 c8 WGHT 0.038300 99.441002 FVAR 0.03863 SB4 7 0.206707 0.781698 0.890295 11.00000 0.01788 0.02665 = 0.02257 0.00099 0.01310 0.00287 SB3 7 -0.010522 0.892385 0.524506 11.00000 0.02818 0.02096 = 0.02064 -0.00037 0.01800 -0.00291 SB2 7 -0.139695 0.618136 0.577248 11.00000 0.02526 0.02120 = 0.02040 -0.00383 0.01450 -0.00517 SB1 7 -0.081928 1.055777 0.550356 11.00000 0.02535 0.02082 = 0.02297 0.00495 0.01574 0.00217 V8 5 -0.131309 0.838068 0.530625 11.00000 0.01962 0.02381 = 0.01716 0.00039 0.01102 -0.00246 V7 5 -0.031647 0.710418 0.581753 11.00000 0.02348 0.02089 = 0.01744 -0.00060 0.01391 -0.00243 V6 5 0.081016 0.659163 0.719166 11.00000 0.02575 0.01842 = 0.02228 -0.00082 0.01724 0.00138 V5 5 0.000000 0.587747 0.750000 10.50000 0.02724 0.01703 = 0.02138 0.00000 0.01721 0.00000 V4 5 0.000000 1.084862 0.750000 10.50000 0.02229 0.01848 = 0.01968 0.00000 0.01412 0.00000 V3 5 0.142147 0.966142 0.870657 11.00000 0.01832 0.02437 = 0.01956 -0.00264 0.01111 -0.00050 V2 5 0.075673 1.015161 0.710009 11.00000 0.02305 0.01809 = 0.02473 -0.00091 0.01711 -0.00245 V1 5 0.108882 0.836812 0.701853 11.00000 0.02165 0.02201 = 0.02258 -0.00097 0.01576 -0.00089 O20 4 0.000000 1.187699 0.750000 10.50000 0.04103 0.02244 = 0.03948 0.00000 0.03058 0.00000 O19 4 -0.106559 0.719311 0.565404 11.00000 0.02786 0.02368 = 0.03322 0.00282 0.02157 -0.00202 O18 4 0.001106 0.633338 0.832298 11.00000 0.02515 0.02731 = 0.02008 -0.00129 0.01539 0.00346 O17 4 -0.006673 1.051770 0.656452 11.00000 0.02481 0.03210 = 0.02373 -0.00473 0.01627 -0.00250 O16 4 0.048870 0.922557 0.633759 11.00000 0.03290 0.02276 = 0.02047 0.00145 0.01535 0.00205 O15 4 0.078163 1.042133 0.799109 11.00000 0.02418 0.02251 = 0.02312 0.00055 0.01599 0.00338 O14 4 0.000000 0.485718 0.750000 10.50000 0.05136 0.01857 = 0.04341 0.00000 0.03489 0.00000 O13 4 -0.113421 0.957118 0.566423 11.00000 0.03207 0.02074 = 0.02646 -0.00359 0.02107 -0.00505 O12 4 -0.084935 0.619574 0.691102 11.00000 0.02689 0.03167 = 0.02035 -0.00046 0.01640 -0.00073 O11 4 0.048666 0.750980 0.643963 11.00000 0.02346 0.02102 = 0.02291 -0.00030 0.01438 -0.00091 O10 4 -0.053341 0.998907 0.499718 11.00000 0.03676 0.02619 = 0.02493 0.00360 0.02204 0.00323 O9 4 0.129536 0.924929 0.777180 11.00000 0.02332 0.02408 = 0.01971 0.00055 0.01286 0.00053 O8 4 -0.186495 0.837643 0.439334 11.00000 0.02890 0.04810 = 0.01928 0.00146 0.00962 -0.00263 O7 4 0.158973 0.848413 0.907635 11.00000 0.02890 0.02770 = 0.02537 0.00947 0.01813 0.01209 O6 4 -0.058767 0.827503 0.543024 11.00000 0.02766 0.02512 = 0.03583 0.00754 0.02308 -0.00011 O5 4 0.205334 0.680635 0.940853 11.00000 0.02203 0.03051 = 0.02989 0.00767 0.01649 0.00636 O4 4 0.138965 0.749293 0.783504 11.00000 0.02520 0.02379 = 0.01982 -0.00162 0.01088 -0.00109 O3 4 0.109850 0.587830 0.699955 11.00000 0.04750 0.02844 = 0.04425 -0.00509 0.03422 0.00376 O2 4 0.106317 1.087859 0.694786 11.00000 0.03772 0.02843 = 0.04696 0.00245 0.03093 -0.00566 O1 4 0.152058 0.836728 0.678766 11.00000 0.03948 0.04499 = 0.04724 -0.00475 0.03562 -0.00306 O1W 4 0.000000 0.834807 0.750000 10.50000 0.26841 0.16677 = 0.24552 0.00000 0.17135 0.00000 CO1 6 0.114610 0.338348 0.712988 11.00000 0.04520 0.03388 = 0.02662 -0.00165 0.02126 0.00385 N6 3 0.138957 0.280362 0.647844 11.00000 0.05271 0.10484 = 0.04157 -0.01942 0.01967 0.02256 AFIX 23 H6C 2 0.149465 0.226922 0.663169 11.00000 -1.20000 H6D 2 0.108223 0.280273 0.597196 11.00000 -1.20000 AFIX 0 C1 1 -0.012068 0.295235 0.584220 11.00000 0.04436 0.03537 = 0.04702 -0.00472 0.03136 -0.00506 AFIX 23 H1A 2 -0.048679 0.273058 0.570050 11.00000 -1.20000 H1B 2 -0.009755 0.280150 0.543114 11.00000 -1.20000 AFIX 0 C5 1 0.183739 0.414997 0.669663 11.00000 0.09977 0.09928 = 0.13881 -0.00711 0.10147 -0.00719 AFIX 13 H5C 2 0.145437 0.433416 0.622384 11.00000 -1.20000 AFIX 0 O2W 4 -0.181974 1.036623 0.390649 11.00000 0.07726 0.21843 = 0.10300 0.04216 0.04053 -0.01021 C6 1 0.187278 0.325603 0.659552 11.00000 0.09686 0.16695 = 0.12579 -0.06406 0.08588 -0.01571 AFIX 23 H6A 2 0.224224 0.303498 0.705437 11.00000 -1.20000 H6B 2 0.186286 0.316863 0.614744 11.00000 -1.20000 AFIX 0 O22 4 -0.044885 0.656095 0.510097 11.00000 0.04207 0.03799 = 0.02666 -0.00900 0.02299 -0.00470 O21 4 0.203220 1.017781 0.923519 11.00000 0.02810 0.04879 = 0.03283 -0.00909 0.01505 -0.01097 N2 3 0.046740 0.419836 0.619230 11.00000 0.04630 0.02385 = 0.03964 -0.00352 0.02937 -0.00411 AFIX 23 H2A 2 0.052609 0.472740 0.636599 11.00000 -1.20000 H2B 2 0.048663 0.419130 0.580088 11.00000 -1.20000 AFIX 0 N1 3 0.037017 0.257085 0.657569 11.00000 0.06430 0.02830 = 0.04356 0.00215 0.03603 -0.00012 AFIX 23 H1C 2 0.044690 0.206195 0.648434 11.00000 -1.20000 H1D 2 0.027809 0.250878 0.689335 11.00000 -1.20000 AFIX 0 C2 1 -0.011792 0.391149 0.590684 11.00000 0.04308 0.02860 = 0.04564 -0.00097 0.03295 0.00012 AFIX 13 H2C 2 -0.016782 0.405574 0.629922 11.00000 -1.20000 AFIX 0 O3W 4 0.222549 0.506372 0.910632 11.00000 0.08288 0.06409 = 0.05399 -0.00893 0.02763 -0.00968 N5 3 0.180721 0.425922 0.737713 11.00000 0.04267 0.06309 = 0.06001 -0.00451 0.03376 0.00201 AFIX 23 H5A 2 0.170803 0.478671 0.739286 11.00000 -1.20000 H5B 2 0.215234 0.413960 0.783376 11.00000 -1.20000 AFIX 0 N3 3 0.112180 0.394508 0.800456 11.00000 0.06337 0.09907 = 0.05206 -0.03067 0.04317 -0.02846 AFIX 23 H3C 2 0.138512 0.436055 0.823982 11.00000 -1.20000 H3D 2 0.076843 0.417061 0.777397 11.00000 -1.20000 AFIX 0 C7 1 -0.061770 0.433603 0.512331 11.00000 0.03968 0.05474 = 0.06188 0.01084 0.01994 0.01285 AFIX 33 H7A 2 -0.099041 0.413222 0.495859 11.00000 -1.50000 H7B 2 -0.059856 0.493807 0.519254 11.00000 -1.50000 H7C 2 -0.057408 0.420109 0.473289 11.00000 -1.50000 AFIX 0 N4 3 0.167706 0.249428 0.806407 11.00000 0.11112 0.05897 = 0.03490 0.00927 0.01573 -0.00768 AFIX 23 H4A 2 0.151069 0.198489 0.792380 11.00000 -1.20000 H4B 2 0.203229 0.245471 0.818985 11.00000 -1.20000 AFIX 0 C4 1 0.172120 0.283226 0.875554 11.00000 0.11674 0.11610 = 0.11516 0.00084 0.07199 -0.00108 AFIX 13 H4C 2 0.207729 0.317993 0.906765 11.00000 -1.20000 AFIX 0 C3 1 0.123864 0.336525 0.856445 11.00000 0.13635 0.13649 = 0.08299 -0.01478 0.08412 -0.04953 AFIX 23 H3A 2 0.089338 0.302367 0.836050 11.00000 -1.20000 H3B 2 0.134734 0.365780 0.902829 11.00000 -1.20000 AFIX 0 C9 1 0.228613 0.475320 0.679001 11.00000 0.12822 0.13076 = 0.13064 0.00130 0.08087 -0.00060 AFIX 33 H9A 2 0.220212 0.532032 0.685089 11.00000 -1.50000 H9B 2 0.267318 0.459693 0.724358 11.00000 -1.50000 H9C 2 0.226592 0.472251 0.633441 11.00000 -1.50000 AFIX 0 C8 1 0.175931 0.218306 0.934389 11.00000 0.17814 0.17689 = 0.17716 0.00161 0.10987 -0.00117 AFIX 33 H8A 2 0.206763 0.178223 0.952292 11.00000 -1.50000 H8B 2 0.184130 0.248596 0.978329 11.00000 -1.50000 H8C 2 0.139198 0.188976 0.908003 11.00000 -1.50000 AFIX 0 HKLF 4 REM K in C2/c REM R1 = 0.0405 for 7301 Fo > 4sig(Fo) and 0.0533 for all 8977 data REM 458 parameters refined using 204 restraints END WGHT 0.0384 99.9642 REM Highest difference peak 1.934, deepest hole -1.075, 1-sigma level 0.172 Q1 1 0.1510 0.3412 0.9442 11.00000 0.05 1.93 Q2 1 0.2909 0.2188 0.8485 11.00000 0.05 1.65 Q3 1 0.1977 0.2584 0.8820 11.00000 0.05 1.09 Q4 1 0.2970 0.5796 0.8077 11.00000 0.05 1.08 Q5 1 0.2385 0.7754 0.8984 11.00000 0.05 0.88 Q6 1 0.2212 0.4113 0.7217 11.00000 0.05 0.88 Q7 1 0.2888 0.3125 0.8827 11.00000 0.05 0.87 Q8 1 0.0956 0.3064 0.7204 11.00000 0.05 0.81 Q9 1 -0.1520 0.5875 0.5408 11.00000 0.05 0.77 Q10 1 0.2340 0.4583 0.9109 11.00000 0.05 0.77 Q11 1 -0.1317 0.5728 0.5981 11.00000 0.05 0.73 Q12 1 0.1744 0.3356 0.7312 11.00000 0.05 0.70 Q13 1 -0.1001 1.0889 0.5104 11.00000 0.05 0.69 Q14 1 -0.1102 1.0838 0.5478 11.00000 0.05 0.65 Q15 1 -0.1057 1.0422 0.5461 11.00000 0.05 0.64 Q16 1 0.0042 0.8643 0.5594 11.00000 0.05 0.61 Q17 1 0.1397 0.2221 0.8074 11.00000 0.05 0.61 Q18 1 0.2070 0.3682 0.7120 11.00000 0.05 0.60 Q19 1 0.0150 1.0425 0.6488 11.00000 0.05 0.59 Q20 1 -0.0268 0.8893 0.4712 11.00000 0.05 0.59 ; _shelx_res_checksum 31675 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' 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 Sb4 Sb 0.20671(2) 0.78170(3) 0.89030(2) 0.02201(9) Uani 1 1 d . . . Sb3 Sb -0.01052(2) 0.89238(2) 0.52451(2) 0.02135(9) Uani 1 1 d . . . Sb2 Sb -0.13970(2) 0.61814(2) 0.57725(2) 0.02208(9) Uani 1 1 d . . . Sb1 Sb -0.08193(2) 1.05578(2) 0.55036(2) 0.02256(9) Uani 1 1 d . . . V8 V -0.13131(4) 0.83807(6) 0.53063(6) 0.0205(2) Uani 1 1 d . . . V7 V -0.03165(4) 0.71042(6) 0.58175(6) 0.0198(2) Uani 1 1 d . . . V6 V 0.08102(4) 0.65916(6) 0.71917(6) 0.0206(2) Uani 1 1 d . . . V5 V 0.0000 0.58775(9) 0.7500 0.0205(3) Uani 1 2 d S T P V4 V 0.0000 1.08486(9) 0.7500 0.0194(3) Uani 1 2 d S T P V3 V 0.14215(4) 0.96614(6) 0.87066(6) 0.0212(2) Uani 1 1 d . . . V2 V 0.07567(4) 1.01516(6) 0.71001(6) 0.0204(2) Uani 1 1 d . . . V1 V 0.10888(4) 0.83681(6) 0.70185(6) 0.0207(2) Uani 1 1 d . . . O20 O 0.0000 1.1877(4) 0.7500 0.0306(14) Uani 1 2 d S T P O19 O -0.10656(19) 0.7193(3) 0.5654(3) 0.0265(9) Uani 1 1 d . . . O18 O 0.00111(18) 0.6333(3) 0.8323(2) 0.0233(9) Uani 1 1 d . . . O17 O -0.00667(18) 1.0518(3) 0.6565(2) 0.0261(9) Uani 1 1 d . . . O16 O 0.04887(19) 0.9226(3) 0.6338(2) 0.0262(9) Uani 1 1 d . . . O15 O 0.07816(18) 1.0421(3) 0.7991(2) 0.0224(8) Uani 1 1 d . . . O14 O 0.0000 0.4857(4) 0.7500 0.0341(15) Uani 1 2 d S T P O13 O -0.11342(19) 0.9571(3) 0.5664(2) 0.0245(9) Uani 1 1 d . . . O12 O -0.08493(18) 0.6196(3) 0.6911(2) 0.0251(9) Uani 1 1 d . . . O11 O 0.04867(17) 0.7510(3) 0.6440(2) 0.0225(8) Uani 1 1 d . . . O10 O -0.0533(2) 0.9989(3) 0.4997(2) 0.0274(9) Uani 1 1 d . . . O9 O 0.12954(18) 0.9249(3) 0.7772(2) 0.0227(8) Uani 1 1 d . . . O8 O -0.1865(2) 0.8376(3) 0.4393(3) 0.0357(11) Uani 1 1 d . . . O7 O 0.15897(19) 0.8484(3) 0.9076(2) 0.0265(9) Uani 1 1 d . . . O6 O -0.05877(19) 0.8275(3) 0.5430(3) 0.0273(9) Uani 1 1 d . . . O5 O 0.20533(18) 0.6806(3) 0.9409(3) 0.0272(9) Uani 1 1 d . . . O4 O 0.13896(18) 0.7493(3) 0.7835(2) 0.0250(9) Uani 1 1 d . . . O3 O 0.1099(2) 0.5878(3) 0.7000(3) 0.0362(11) Uani 1 1 d . . . O2 O 0.1063(2) 1.0879(3) 0.6948(3) 0.0346(11) Uani 1 1 d . . . O1 O 0.1521(2) 0.8367(3) 0.6788(3) 0.0380(11) Uani 1 1 d . . . O1W O 0.0000 0.8348(15) 0.7500 0.219(11) Uani 1 2 d S T P Co1 Co 0.11461(5) 0.33835(6) 0.71299(5) 0.0359(2) Uani 1 1 d . . . N6 N 0.1390(4) 0.2804(6) 0.6478(4) 0.073(3) Uani 1 1 d . . . H6C H 0.1495 0.2269 0.6632 0.087 Uiso 1 1 calc R U . H6D H 0.1082 0.2803 0.5972 0.087 Uiso 1 1 calc R U . C1 C -0.0121(3) 0.2952(5) 0.5842(5) 0.0403(16) Uani 1 1 d . U . H1A H -0.0487 0.2731 0.5700 0.048 Uiso 1 1 calc R U . H1B H -0.0098 0.2801 0.5431 0.048 Uiso 1 1 calc R U . C5 C 0.1837(6) 0.4150(9) 0.6697(9) 0.094(4) Uani 1 1 d . U . H5C H 0.1454 0.4334 0.6224 0.113 Uiso 1 1 calc R U . O2W O -0.1820(4) 1.0366(9) 0.3906(6) 0.143(5) Uani 1 1 d . . . C6 C 0.1873(7) 0.3256(11) 0.6596(10) 0.119(5) Uani 1 1 d . U . H6A H 0.2242 0.3035 0.7054 0.142 Uiso 1 1 calc R U . H6B H 0.1863 0.3169 0.6147 0.142 Uiso 1 1 calc R U . O22 O -0.0449(2) 0.6561(3) 0.5101(3) 0.0345(11) Uani 1 1 d . . . O21 O 0.2032(2) 1.0178(3) 0.9235(3) 0.0392(12) Uani 1 1 d . . . N2 N 0.0467(3) 0.4198(3) 0.6192(4) 0.0348(13) Uani 1 1 d . . . H2A H 0.0526 0.4727 0.6366 0.042 Uiso 1 1 calc R U . H2B H 0.0487 0.4191 0.5801 0.042 Uiso 1 1 calc R U . N1 N 0.0370(3) 0.2571(4) 0.6576(4) 0.0437(15) Uani 1 1 d . . . H1C H 0.0447 0.2062 0.6484 0.052 Uiso 1 1 calc R U . H1D H 0.0278 0.2509 0.6893 0.052 Uiso 1 1 calc R U . C2 C -0.0118(3) 0.3911(4) 0.5907(4) 0.0355(15) Uani 1 1 d . U . H2C H -0.0168 0.4056 0.6299 0.043 Uiso 1 1 calc R U . O3W O 0.2225(3) 0.5064(5) 0.9106(4) 0.077(2) Uani 1 1 d . . . N5 N 0.1807(3) 0.4259(5) 0.7377(4) 0.0540(18) Uani 1 1 d . . . H5A H 0.1708 0.4787 0.7393 0.065 Uiso 1 1 calc R U . H5B H 0.2152 0.4140 0.7834 0.065 Uiso 1 1 calc R U . N3 N 0.1122(4) 0.3945(6) 0.8005(5) 0.067(2) Uani 1 1 d . . . H3C H 0.1385 0.4361 0.8240 0.080 Uiso 1 1 calc R U . H3D H 0.0768 0.4171 0.7774 0.080 Uiso 1 1 calc R U . C7 C -0.0618(4) 0.4336(6) 0.5123(6) 0.060(2) Uani 1 1 d . U . H7A H -0.0990 0.4132 0.4959 0.090 Uiso 1 1 calc R U . H7B H -0.0599 0.4938 0.5193 0.090 Uiso 1 1 calc R U . H7C H -0.0574 0.4201 0.4733 0.090 Uiso 1 1 calc R U . N4 N 0.1677(5) 0.2494(6) 0.8064(4) 0.088(3) Uani 1 1 d . . . H4A H 0.1511 0.1985 0.7924 0.106 Uiso 1 1 calc R U . H4B H 0.2032 0.2455 0.8190 0.106 Uiso 1 1 calc R U . C4 C 0.1721(8) 0.2832(11) 0.8756(10) 0.116(5) Uani 1 1 d . U . H4C H 0.2077 0.3180 0.9068 0.139 Uiso 1 1 calc R U . C3 C 0.1239(7) 0.3365(10) 0.8564(8) 0.108(4) Uani 1 1 d . U . H3A H 0.0893 0.3024 0.8360 0.129 Uiso 1 1 calc R U . H3B H 0.1347 0.3658 0.9028 0.129 Uiso 1 1 calc R U . C9 C 0.2286(8) 0.4753(11) 0.6790(10) 0.130(5) Uani 1 1 d . U . H9A H 0.2202 0.5320 0.6851 0.194 Uiso 1 1 calc R U . H9B H 0.2673 0.4597 0.7244 0.194 Uiso 1 1 calc R U . H9C H 0.2266 0.4723 0.6334 0.194 Uiso 1 1 calc R U . C8 C 0.1759(10) 0.2183(14) 0.9344(13) 0.178(7) Uani 1 1 d . U . H8A H 0.2068 0.1782 0.9523 0.267 Uiso 1 1 calc R U . H8B H 0.1841 0.2486 0.9783 0.267 Uiso 1 1 calc R U . H8C H 0.1392 0.1890 0.9080 0.267 Uiso 1 1 calc R U . 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 Sb4 0.01788(18) 0.0267(2) 0.02257(19) 0.00099(17) 0.01310(16) 0.00287(15) Sb3 0.0282(2) 0.02096(19) 0.02064(19) -0.00037(16) 0.01800(17) -0.00291(15) Sb2 0.0253(2) 0.02120(19) 0.02040(19) -0.00383(16) 0.01450(16) -0.00517(15) Sb1 0.02535(19) 0.02082(19) 0.0230(2) 0.00495(16) 0.01574(17) 0.00217(15) V8 0.0196(4) 0.0238(5) 0.0172(4) 0.0004(4) 0.0110(4) -0.0025(4) V7 0.0235(5) 0.0209(5) 0.0174(4) -0.0006(4) 0.0139(4) -0.0024(4) V6 0.0257(5) 0.0184(5) 0.0223(5) -0.0008(4) 0.0172(4) 0.0014(4) V5 0.0272(7) 0.0170(6) 0.0214(7) 0.000 0.0172(6) 0.000 V4 0.0223(7) 0.0185(6) 0.0197(6) 0.000 0.0141(6) 0.000 V3 0.0183(4) 0.0244(5) 0.0196(5) -0.0026(4) 0.0111(4) -0.0005(4) V2 0.0230(5) 0.0181(4) 0.0247(5) -0.0009(4) 0.0171(4) -0.0024(4) V1 0.0217(5) 0.0220(5) 0.0226(5) -0.0010(4) 0.0158(4) -0.0009(4) O20 0.041(4) 0.022(3) 0.039(4) 0.000 0.031(3) 0.000 O19 0.028(2) 0.024(2) 0.033(2) 0.0028(19) 0.022(2) -0.0020(18) O18 0.025(2) 0.027(2) 0.020(2) -0.0013(18) 0.0154(18) 0.0035(17) O17 0.025(2) 0.032(2) 0.024(2) -0.0047(19) 0.0163(18) -0.0025(18) O16 0.033(2) 0.023(2) 0.020(2) 0.0015(18) 0.0154(19) 0.0020(18) O15 0.024(2) 0.023(2) 0.023(2) 0.0006(17) 0.0160(18) 0.0034(17) O14 0.051(4) 0.019(3) 0.043(4) 0.000 0.035(4) 0.000 O13 0.032(2) 0.021(2) 0.026(2) -0.0036(18) 0.0211(19) -0.0050(17) O12 0.027(2) 0.032(2) 0.020(2) -0.0005(19) 0.0164(18) -0.0007(18) O11 0.023(2) 0.021(2) 0.023(2) -0.0003(18) 0.0144(18) -0.0009(17) O10 0.037(2) 0.026(2) 0.025(2) 0.0036(19) 0.022(2) 0.0032(19) O9 0.023(2) 0.024(2) 0.020(2) 0.0006(17) 0.0129(17) 0.0005(17) O8 0.029(2) 0.048(3) 0.019(2) 0.001(2) 0.0096(19) -0.003(2) O7 0.029(2) 0.028(2) 0.025(2) 0.0095(19) 0.0181(19) 0.0121(18) O6 0.028(2) 0.025(2) 0.036(2) 0.008(2) 0.023(2) -0.0001(18) O5 0.022(2) 0.031(2) 0.030(2) 0.008(2) 0.0165(19) 0.0064(18) O4 0.025(2) 0.024(2) 0.020(2) -0.0016(18) 0.0109(17) -0.0011(17) O3 0.047(3) 0.028(2) 0.044(3) -0.005(2) 0.034(3) 0.004(2) O2 0.038(3) 0.028(2) 0.047(3) 0.002(2) 0.031(2) -0.006(2) O1 0.039(3) 0.045(3) 0.047(3) -0.005(2) 0.036(3) -0.003(2) O1W 0.27(3) 0.17(2) 0.25(3) 0.000 0.17(3) 0.000 Co1 0.0452(5) 0.0339(5) 0.0266(5) -0.0017(4) 0.0213(4) 0.0038(4) N6 0.053(5) 0.105(7) 0.042(4) -0.019(5) 0.020(4) 0.023(5) C1 0.044(4) 0.035(4) 0.047(4) -0.005(3) 0.031(4) -0.005(3) C5 0.100(8) 0.099(8) 0.139(10) -0.007(8) 0.101(8) -0.007(7) O2W 0.077(6) 0.218(13) 0.103(8) 0.042(8) 0.041(6) -0.010(8) C6 0.097(8) 0.167(12) 0.126(10) -0.064(9) 0.086(8) -0.016(9) O22 0.042(3) 0.038(3) 0.027(2) -0.009(2) 0.023(2) -0.005(2) O21 0.028(2) 0.049(3) 0.033(3) -0.009(2) 0.015(2) -0.011(2) N2 0.046(3) 0.024(3) 0.040(3) -0.004(3) 0.029(3) -0.004(2) N1 0.064(4) 0.028(3) 0.044(4) 0.002(3) 0.036(3) 0.000(3) C2 0.043(4) 0.029(3) 0.046(4) -0.001(3) 0.033(3) 0.000(3) O3W 0.083(5) 0.064(4) 0.054(4) -0.009(4) 0.028(4) -0.010(4) N5 0.043(4) 0.063(5) 0.060(5) -0.005(4) 0.034(4) 0.002(3) N3 0.063(5) 0.099(7) 0.052(4) -0.031(5) 0.043(4) -0.028(5) C7 0.040(4) 0.055(5) 0.062(6) 0.011(5) 0.020(4) 0.013(4) N4 0.111(8) 0.059(5) 0.035(4) 0.009(4) 0.016(5) -0.008(5) C4 0.117(5) 0.116(5) 0.115(5) 0.0008(10) 0.072(3) -0.0011(10) C3 0.136(10) 0.136(10) 0.083(7) -0.015(7) 0.084(7) -0.050(8) C9 0.128(6) 0.131(6) 0.131(6) 0.001(2) 0.081(4) -0.001(2) C8 0.178(8) 0.177(8) 0.177(8) 0.002(2) 0.110(5) -0.001(2) 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' 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' V V 0.3005 0.5294 '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' Sb Sb -0.5866 1.5461 '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 O5 Sb4 O7 93.78(18) . . O5 Sb4 O4 95.70(18) . . O7 Sb4 O4 93.56(18) . . O16 Sb3 O10 93.15(18) . . O16 Sb3 O6 94.51(19) . . O10 Sb3 O6 95.38(18) . . O12 Sb2 O5 99.93(18) . 2_556 O12 Sb2 O19 94.58(18) . . O5 Sb2 O19 93.32(18) 2_556 . O13 Sb1 O17 93.74(18) . . O13 Sb1 O10 98.32(18) . . O17 Sb1 O10 95.64(18) . . O8 V8 O7 109.5(2) . 2_556 O8 V8 O6 109.3(2) . . O7 V8 O6 141.16(19) 2_556 . O8 V8 O13 108.0(2) . . O7 V8 O13 76.61(17) 2_556 . O6 V8 O13 91.75(18) . . O8 V8 O19 108.4(2) . . O7 V8 O19 91.26(19) 2_556 . O6 V8 O19 76.32(17) . . O13 V8 O19 143.58(19) . . O8 V8 V3 114.19(19) . 2_556 O7 V8 V3 37.62(12) 2_556 2_556 O6 V8 V3 121.54(14) . 2_556 O13 V8 V3 38.99(12) . 2_556 O19 V8 V3 121.29(13) . 2_556 O8 V8 V7 115.59(19) . . O7 V8 V7 119.72(14) 2_556 . O6 V8 V7 38.14(12) . . O13 V8 V7 121.17(13) . . O19 V8 V7 38.21(12) . . V3 V8 V7 130.22(5) 2_556 . O22 V7 O18 107.2(2) . 2_556 O22 V7 O11 108.3(2) . . O18 V7 O11 84.38(18) 2_556 . O22 V7 O19 106.9(2) . . O18 V7 O19 90.57(18) 2_556 . O11 V7 O19 144.32(18) . . O22 V7 O6 107.0(2) . . O18 V7 O6 145.56(19) 2_556 . O11 V7 O6 88.63(18) . . O19 V7 O6 75.87(17) . . O22 V7 V6 107.15(19) . . O18 V7 V6 42.75(12) 2_556 . O11 V7 V6 42.61(12) . . O19 V7 V6 128.56(14) . . O6 V7 V6 127.20(14) . . O22 V7 V8 113.02(19) . . O18 V7 V8 121.43(13) 2_556 . O11 V7 V8 118.88(13) . . O19 V7 V8 38.34(12) . . O6 V7 V8 37.56(12) . . V6 V7 V8 139.81(5) . . O3 V6 O11 111.2(2) . . O3 V6 O18 110.7(2) . 2_556 O11 V6 O18 83.88(18) . 2_556 O3 V6 O4 109.8(2) . . O11 V6 O4 79.17(18) . . O18 V6 O4 139.40(18) 2_556 . O3 V6 O12 108.4(2) . 2_556 O11 V6 O12 140.23(18) . 2_556 O18 V6 O12 78.57(18) 2_556 2_556 O4 V6 O12 91.45(18) . 2_556 O3 V6 V7 111.59(19) . . O11 V6 V7 42.56(12) . . O18 V6 V7 42.28(12) 2_556 . O4 V6 V7 117.12(13) . . O12 V6 V7 116.72(13) 2_556 . O3 V6 V1 113.41(19) . . O11 V6 V1 39.00(12) . . O18 V6 V1 116.87(13) 2_556 . O4 V6 V1 40.45(12) . . O12 V6 V1 124.14(13) 2_556 . V7 V6 V1 79.96(4) . . O3 V6 V5 113.43(19) . . O11 V6 V5 115.50(13) . . O18 V6 V5 37.79(12) 2_556 . O4 V6 V5 123.10(13) . . O12 V6 V5 40.89(13) 2_556 . V7 V6 V5 78.35(4) . . V1 V6 V5 132.84(4) . . O14 V5 O18 112.09(13) . . O14 V5 O18 112.09(13) . 2_556 O18 V5 O18 135.8(3) . 2_556 O14 V5 O12 104.48(13) . . O18 V5 O12 78.72(17) . . O18 V5 O12 90.44(17) 2_556 . O14 V5 O12 104.48(13) . 2_556 O18 V5 O12 90.44(18) . 2_556 O18 V5 O12 78.72(17) 2_556 2_556 O12 V5 O12 151.0(3) . 2_556 O14 V5 V6 111.81(3) . . O18 V5 V6 120.22(14) . . O18 V5 V6 38.48(13) 2_556 . O12 V5 V6 125.20(13) . . O12 V5 V6 40.34(12) 2_556 . O14 V5 V6 111.81(3) . 2_556 O18 V5 V6 38.48(13) . 2_556 O18 V5 V6 120.22(14) 2_556 2_556 O12 V5 V6 40.34(12) . 2_556 O12 V5 V6 125.20(13) 2_556 2_556 V6 V5 V6 136.37(6) . 2_556 O20 V4 O15 110.46(13) . . O20 V4 O15 110.46(13) . 2_556 O15 V4 O15 139.1(3) . 2_556 O20 V4 O17 105.19(13) . . O15 V4 O17 79.01(18) . . O15 V4 O17 90.42(17) 2_556 . O20 V4 O17 105.19(13) . 2_556 O15 V4 O17 90.42(17) . 2_556 O15 V4 O17 79.01(18) 2_556 2_556 O17 V4 O17 149.6(3) . 2_556 O20 V4 V2 111.31(3) . . O15 V4 V2 38.78(12) . . O15 V4 V2 121.69(13) 2_556 . O17 V4 V2 40.32(12) . . O17 V4 V2 124.89(13) 2_556 . O20 V4 V2 111.31(3) . 2_556 O15 V4 V2 121.70(13) . 2_556 O15 V4 V2 38.79(12) 2_556 2_556 O17 V4 V2 124.89(13) . 2_556 O17 V4 V2 40.32(12) 2_556 2_556 V2 V4 V2 137.37(6) . 2_556 O21 V3 O15 110.0(2) . . O21 V3 O9 109.0(2) . . O15 V3 O9 84.34(18) . . O21 V3 O7 107.7(2) . . O15 V3 O7 142.17(19) . . O9 V3 O7 87.13(18) . . O21 V3 O13 106.7(2) . 2_556 O15 V3 O13 89.82(17) . 2_556 O9 V3 O13 143.67(18) . 2_556 O7 V3 O13 75.81(17) . 2_556 O21 V3 V2 110.1(2) . . O15 V3 V2 42.62(12) . . O9 V3 V2 42.57(12) . . O7 V3 V2 124.41(14) . . O13 V3 V2 127.30(13) 2_556 . O21 V3 V8 111.96(19) . 2_556 O15 V3 V8 120.26(13) . 2_556 O9 V3 V8 118.25(13) . 2_556 O7 V3 V8 37.44(13) . 2_556 O13 V3 V8 38.37(12) 2_556 2_556 V2 V3 V8 137.90(5) . 2_556 O2 V2 O9 113.0(2) . . O2 V2 O15 111.6(2) . . O9 V2 O15 83.97(17) . . O2 V2 O16 109.5(2) . . O9 V2 O16 78.61(18) . . O15 V2 O16 138.88(18) . . O2 V2 O17 106.8(2) . . O9 V2 O17 140.14(18) . . O15 V2 O17 78.91(18) . . O16 V2 O17 91.16(18) . . O2 V2 V3 114.02(19) . . O9 V2 V3 42.64(12) . . O15 V2 V3 42.18(12) . . O16 V2 V3 116.29(13) . . O17 V2 V3 116.63(13) . . O2 V2 V1 114.62(18) . . O9 V2 V1 38.99(12) . . O15 V2 V1 116.62(13) . . O16 V2 V1 39.85(13) . . O17 V2 V1 123.30(13) . . V3 V2 V1 79.77(4) . . O2 V2 V4 113.12(18) . . O9 V2 V4 115.94(13) . . O15 V2 V4 38.44(12) . . O16 V2 V4 122.32(14) . . O17 V2 V4 40.56(12) . . V3 V2 V4 78.70(4) . . V1 V2 V4 132.17(4) . . O1 V1 O11 110.9(2) . . O1 V1 O9 111.9(2) . . O11 V1 O9 137.14(18) . . O1 V1 O16 105.1(2) . . O11 V1 O16 88.46(18) . . O9 V1 O16 78.90(18) . . O1 V1 O4 106.6(2) . . O11 V1 O4 79.15(18) . . O9 V1 O4 90.48(17) . . O16 V1 O4 148.26(19) . . O1 V1 V6 111.07(19) . . O11 V1 V6 39.10(12) . . O9 V1 V6 121.89(13) . . O16 V1 V6 123.84(14) . . O4 V1 V6 40.33(12) . . O1 V1 V2 110.93(19) . . O11 V1 V2 120.03(13) . . O9 V1 V2 39.02(12) . . O16 V1 V2 40.12(13) . . O4 V1 V2 125.31(13) . . V6 V1 V2 137.96(4) . . Sb2 O19 V7 119.5(2) . . Sb2 O19 V8 136.9(2) . . V7 O19 V8 103.45(19) . . V5 O18 V7 151.4(2) . 2_556 V5 O18 V6 103.74(19) . 2_556 V7 O18 V6 94.97(18) 2_556 2_556 Sb1 O17 V2 139.0(2) . . Sb1 O17 V4 121.8(2) . . V2 O17 V4 99.12(19) . . Sb3 O16 V1 116.9(2) . . Sb3 O16 V2 143.1(2) . . V1 O16 V2 100.03(19) . . V3 O15 V4 151.0(2) . . V3 O15 V2 95.21(18) . . V4 O15 V2 102.77(19) . . Sb1 O13 V8 136.7(2) . . Sb1 O13 V3 120.5(2) . 2_556 V8 O13 V3 102.64(18) . 2_556 Sb2 O12 V6 139.5(2) . 2_556 Sb2 O12 V5 121.1(2) . . V6 O12 V5 98.77(18) 2_556 . V1 O11 V7 153.4(2) . . V1 O11 V6 101.90(19) . . V7 O11 V6 94.83(18) . . Sb3 O10 Sb1 131.0(2) . . V1 O9 V2 101.98(19) . . V1 O9 V3 152.2(2) . . V2 O9 V3 94.79(18) . . Sb4 O7 V8 137.0(2) . 2_556 Sb4 O7 V3 117.1(2) . . V8 O7 V3 104.94(19) 2_556 . V8 O6 Sb3 140.2(2) . . V8 O6 V7 104.29(19) . . Sb3 O6 V7 115.4(2) . . Sb4 O5 Sb2 131.1(2) . 2_556 Sb4 O4 V6 144.5(2) . . Sb4 O4 V1 116.2(2) . . V6 O4 V1 99.22(19) . . N4 Co1 N3 80.1(4) . . N4 Co1 N5 100.4(4) . . N3 Co1 N5 91.6(3) . . N4 Co1 N6 90.6(4) . . N3 Co1 N6 166.4(3) . . N5 Co1 N6 80.2(3) . . N4 Co1 N2 168.3(4) . . N3 Co1 N2 94.6(3) . . N5 Co1 N2 90.0(3) . . N6 Co1 N2 96.3(3) . . N4 Co1 N1 91.5(3) . . N3 Co1 N1 98.2(3) . . N5 Co1 N1 165.7(3) . . N6 Co1 N1 91.9(3) . . N2 Co1 N1 78.9(2) . . C6 N6 Co1 110.7(7) . . N1 C1 C2 111.4(6) . . C6 C5 C9 119.8(12) . . C6 C5 N5 107.9(11) . . C9 C5 N5 110.8(12) . . C5 C6 N6 110.9(11) . . C2 N2 Co1 110.4(4) . . C1 N1 Co1 109.4(4) . . N2 C2 C1 106.5(6) . . N2 C2 C7 112.2(6) . . C1 C2 C7 112.5(7) . . C5 N5 Co1 105.2(6) . . C3 N3 Co1 112.6(8) . . C4 N4 Co1 106.2(9) . . C3 C4 N4 116.4(13) . . C3 C4 C8 100.1(15) . . N4 C4 C8 119.4(14) . . N3 C3 C4 107.4(12) . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Sb4 O5 1.956(4) . Sb4 O7 1.957(4) . Sb4 O4 1.966(4) . Sb3 O16 1.943(4) . Sb3 O10 1.960(4) . Sb3 O6 1.971(4) . Sb2 O12 1.947(4) . Sb2 O5 1.958(4) 2_556 Sb2 O19 1.965(4) . Sb1 O13 1.947(4) . Sb1 O17 1.963(4) . Sb1 O10 1.965(4) . V8 O8 1.603(5) . V8 O7 1.958(4) 2_556 V8 O6 1.958(4) . V8 O13 1.980(4) . V8 O19 1.985(4) . V8 V3 3.1118(15) 2_556 V8 V7 3.1122(15) . V7 O22 1.607(5) . V7 O18 1.929(4) 2_556 V7 O11 1.939(4) . V7 O19 1.979(4) . V7 O6 1.984(4) . V7 V6 2.857(2) . V6 O3 1.608(5) . V6 O11 1.941(4) . V6 O18 1.947(4) 2_556 V6 O4 1.974(4) . V6 O12 1.990(4) 2_556 V6 V1 3.0113(15) . V6 V5 3.0389(12) . V5 O14 1.613(6) . V5 O18 1.917(4) . V5 O18 1.917(4) 2_556 V5 O12 2.013(4) . V5 O12 2.013(4) 2_556 V5 V6 3.0390(12) 2_556 V4 O20 1.626(6) . V4 O15 1.933(4) . V4 O15 1.933(4) 2_556 V4 O17 1.997(4) . V4 O17 1.997(4) 2_556 V4 V2 3.0320(12) . V4 V2 3.0321(12) 2_556 V3 O21 1.613(5) . V3 O15 1.931(4) . V3 O9 1.947(4) . V3 O7 1.966(4) . V3 O13 2.007(4) 2_556 V3 V2 2.8643(18) . V3 V8 3.1118(15) 2_556 V2 O2 1.610(4) . V2 O9 1.945(4) . V2 O15 1.947(4) . V2 O16 1.977(4) . V2 O17 1.987(4) . V2 V1 3.0213(15) . V1 O1 1.616(5) . V1 O11 1.937(4) . V1 O9 1.943(4) . V1 O16 1.966(4) . V1 O4 1.979(4) . O18 V7 1.929(4) 2_556 O18 V6 1.947(4) 2_556 O13 V3 2.007(4) 2_556 O12 V6 1.991(4) 2_556 O7 V8 1.958(4) 2_556 O5 Sb2 1.958(4) 2_556 Co1 N4 2.145(8) . Co1 N3 2.146(7) . Co1 N5 2.147(7) . Co1 N6 2.147(8) . Co1 N2 2.172(6) . Co1 N1 2.192(7) . N6 C6 1.450(17) . C1 N1 1.457(10) . C1 C2 1.523(10) . C5 C6 1.444(19) . C5 C9 1.523(19) . C5 N5 1.551(14) . N2 C2 1.473(9) . C2 C7 1.548(11) . N3 C3 1.390(15) . N4 C4 1.529(18) . C4 C3 1.46(2) . C4 C8 1.59(2) .