#------------------------------------------------------------------------------
#$Date: 2020-04-05 13:49:24 +0300 (Sun, 05 Apr 2020) $
#$Revision: 250287 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/36/7703627.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_7703627
loop_
_publ_author_name
'Kharwar, Ajit Kumar'
'Konar, Sanjit'
_publ_section_title
;
 Exchange coupled Co(ii) based layered and porous metal-organic
 frameworks: structural diversity, gas adsorption, and magnetic
 properties.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4012
_journal_page_last               4021
_journal_paper_doi               10.1039/d0dt00211a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety
'C23 H18.5 Co1.5 N2.5 O7.5 S1.5, C H1.5 N0.25'
_chemical_formula_sum            'C24 H20 Co1.5 N2.75 O7.5 S1.5'
_chemical_formula_weight         603.41
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2019-09-07
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-09-07 deposited with the CCDC.	2020-02-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.926(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.8382(6)
_cell_length_b                   22.0240(15)
_cell_length_c                   13.1803(9)
_cell_measurement_reflns_used    9989
_cell_measurement_temperature    147(2)
_cell_measurement_theta_max      25.07
_cell_measurement_theta_min      2.34
_cell_volume                     2746.2(3)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      147.53
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0729
_diffrn_reflns_av_unetI/netI     0.0295
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            60653
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.111
_diffrn_reflns_theta_max         25.111
_diffrn_reflns_theta_min         2.306
_exptl_absorpt_coefficient_mu    1.078
_exptl_absorpt_correction_T_max  0.571
_exptl_absorpt_correction_T_min  0.421
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_description       pink
_exptl_crystal_F_000             1231
_exptl_crystal_size_max          0.82
_exptl_crystal_size_mid          0.67
_exptl_crystal_size_min          0.52
_refine_diff_density_max         0.614
_refine_diff_density_min         -0.724
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         5022
_refine_ls_number_restraints     58
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0358
_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/[σ²(Fo²)+(0.0362P)²+5.4589P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0844
_refine_ls_wR_factor_ref         0.0886
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4228
_reflns_number_total             5022
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00211a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7703626--7703629.cif.'
_cod_original_formula_sum        'C24 H20 Co1.50 N2.75 O7.50 S1.50'
_cod_database_code               7703627
_shelx_shelxl_version_number     2016/6
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N4-C16_$1
 1.3 with sigma of 0.01
 N2-C10 \\sim N2-C12 \\sim N2-C11
 with sigma of 0.001
3. Uiso/Uaniso restraints and constraints
Uanis(C15) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
4. Rigid body (RIGU) restrains
 N2, C10, C12, C11, O1
 with sigma for 1-2 distances of 0.0001 and sigma for 1-3 distances of 0.0001
 O1, C13, N3, C14, C15
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Others
 Fixed Sof: C13(0.5) H13(0.5) N2(0.5) C10(0.5) H10(0.5) C12(0.5) H12A(0.5)
 H12B(0.5) H12C(0.5) C11(0.5) H11A(0.5) H11B(0.5) H11C(0.5) C14(0.5) H14A(0.5)
 H14B(0.5) H14C(0.5) N3(0.5) C15(0.5) H15A(0.5) H15B(0.5) H15C(0.5) C30(0.5)
 H30A(0.5) H30B(0.5) H30C(0.5) N4(0.25) C16(0.5) C17(0.5) H17A(0.5) H17B(0.5)
 H17C(0.5)
 Fixed Uiso: N4(0.1) C16(0.1) C17(0.1)
 Fixed X: N4(0.5)
 Fixed Y: N4(0.5)
 Fixed Z: N4(0.5)
6.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C27(H27), C3(H3), C18(H18), C24(H24), C22(H22), C19(H19), C9(H9),
 C28(H28), C21(H21), C13(H13), C10(H10)
6.b Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C11(H11A,H11B,H11C), C14(H14A,H14B,H14C), C15(H15A,H15B,
 H15C), C30(H30A,H30B,H30C), C17(H17A,H17B,H17C)
;
_smtbx_masks_special_details
;
A solvent mask was calculated and 106 electrons were 
found in a volume of 406Å^3 in 1 void. 
This is consistent with the presence of 
0.5[C2H3N], 1[C3H7NO] per formula unit 
which account for 102 electrons.
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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 0.000000 0.500000 0.000000 0.00707(13) Uani 1 2 d S T P . .
Co2 Co 0.11224(4) 0.54709(2) 0.25739(3) 0.00881(11) Uani 1 1 d . . . . .
S1 S 0.10252(10) 0.750000 0.13198(7) 0.0112(2) Uani 1 2 d S T P . .
S2 S 0.58409(7) 0.53160(3) 0.20874(6) 0.01536(17) Uani 1 1 d . . . . .
O7 O 0.89077(19) 0.55841(9) 0.26135(15) 0.0140(4) Uani 1 1 d . . . . .
O6 O 0.94426(19) 0.50143(8) 0.14218(14) 0.0103(4) Uani 1 1 d . . . . .
O5 O 0.0632(2) 0.58947(8) 0.00675(15) 0.0128(4) Uani 1 1 d . . . . .
O3 O 0.20854(19) 0.46787(9) 0.07719(15) 0.0131(4) Uani 1 1 d . . . . .
O1 O 0.1988(2) 0.59441(9) 0.39633(16) 0.0215(4) Uani 1 1 d . U . . .
O2 O 0.29461(19) 0.52500(9) 0.22210(15) 0.0148(4) Uani 1 1 d . . . . .
O4 O 0.0960(2) 0.62444(8) 0.17226(15) 0.0152(4) Uani 1 1 d . . . . .
N1 N 0.1201(2) 0.46538(10) 0.34548(18) 0.0136(5) Uani 1 1 d . . . . .
N5 N 0.1313(3) 0.250000 0.4726(3) 0.0130(7) Uani 1 2 d S T P . .
C4 C 0.6525(3) 0.45022(13) 0.0922(2) 0.0143(6) Uani 1 1 d . . . . .
H4 H 0.705675 0.425663 0.057748 0.017 Uiso 1 1 calc R . . . .
C5 C 0.7080(3) 0.49765(13) 0.1570(2) 0.0127(6) Uani 1 1 d . . . . .
O8 O 0.2878(4) 0.250000 1.1383(3) 0.0501(11) Uani 1 2 d S T P . .
C7 C 0.0815(3) 0.63060(12) 0.0746(2) 0.0109(6) Uani 1 1 d . . . . .
C26 C 0.2156(4) 0.250000 0.8113(3) 0.0135(8) Uani 1 2 d S T P . .
C8 C 0.0862(3) 0.69430(12) 0.0384(2) 0.0133(6) Uani 1 1 d . . . . .
C23 C 0.1438(3) 0.30204(12) 0.5271(2) 0.0129(6) Uani 1 1 d . . . . .
C6 C 0.8538(3) 0.52115(12) 0.1872(2) 0.0101(6) Uani 1 1 d . . . . .
C1 C 0.3067(3) 0.49224(12) 0.1463(2) 0.0122(6) Uani 1 1 d . . . . .
C2 C 0.4546(3) 0.48268(13) 0.1404(2) 0.0126(6) Uani 1 1 d . . . . .
C25 C 0.1841(4) 0.250000 0.6943(3) 0.0119(8) Uani 1 2 d S T P . .
C27 C 0.2282(3) 0.30424(13) 0.8684(2) 0.0181(7) Uani 1 1 d . . . . .
H27 H 0.220085 0.341792 0.831803 0.022 Uiso 1 1 calc R . . . .
C3 C 0.5068(3) 0.44178(13) 0.0822(2) 0.0144(6) Uani 1 1 d . . . . .
H3 H 0.451107 0.411064 0.039779 0.017 Uiso 1 1 calc R . . . .
C20 C 0.1325(3) 0.35876(13) 0.4642(2) 0.0140(6) Uani 1 1 d . . . . .
C18 C 0.1278(3) 0.46676(13) 0.4480(2) 0.0182(7) Uani 1 1 d . . . . .
H18 H 0.129364 0.505245 0.480787 0.022 Uiso 1 1 calc R . . . .
C24 C 0.1697(3) 0.30366(13) 0.6367(2) 0.0150(6) Uani 1 1 d . . . . .
H24 H 0.177566 0.341614 0.672140 0.018 Uiso 1 1 calc R . . . .
C22 C 0.1157(4) 0.41047(14) 0.3016(2) 0.0247(7) Uani 1 1 d . . . . .
H22 H 0.108250 0.408111 0.228291 0.030 Uiso 1 1 calc R . . . .
C19 C 0.1337(3) 0.41565(13) 0.5089(2) 0.0202(7) Uani 1 1 d . . . . .
H19 H 0.138479 0.419393 0.581597 0.024 Uiso 1 1 calc R . . . .
C9 C 0.0691(3) 0.71782(13) -0.0602(2) 0.0180(6) Uani 1 1 d . . . . .
H9 H 0.058387 0.693795 -0.121768 0.022 Uiso 1 1 calc R . . . .
C28 C 0.2522(3) 0.30461(15) 0.9772(2) 0.0234(7) Uani 1 1 d . . . . .
H28 H 0.259667 0.342039 1.014170 0.028 Uiso 1 1 calc R . . B .
C21 C 0.1214(4) 0.35716(14) 0.3571(2) 0.0260(8) Uani 1 1 d . . . . .
H21 H 0.117734 0.319265 0.321990 0.031 Uiso 1 1 calc R . . . .
C29 C 0.2653(5) 0.250000 1.0318(3) 0.0246(10) Uani 1 2 d S T P B .
C13 C 0.3260(7) 0.5882(3) 0.4417(5) 0.0269(13) Uani 0.5 1 d . U . A -2
H13 H 0.389322 0.578344 0.401241 0.032 Uiso 0.5 1 calc R . . A -2
N2 N 0.2178(6) 0.68159(19) 0.4974(3) 0.0300(10) Uani 0.5 1 d D U . A -1
C10 C 0.1859(6) 0.6514(3) 0.4038(5) 0.0236(10) Uani 0.5 1 d D U . A -1
H10 H 0.152116 0.674255 0.340749 0.028 Uiso 0.5 1 calc R . . A -1
C12 C 0.2606(14) 0.6532(4) 0.5926(6) 0.071(3) Uani 0.5 1 d D U . A -1
H12A H 0.251842 0.609133 0.582157 0.107 Uiso 0.5 1 calc GR . . A -1
H12B H 0.201301 0.666343 0.637286 0.107 Uiso 0.5 1 calc GR . . A -1
H12C H 0.359401 0.663568 0.626738 0.107 Uiso 0.5 1 calc GR . . A -1
C11 C 0.2068(7) 0.7432(3) 0.4969(5) 0.0378(12) Uani 0.5 1 d D U . A -1
H11A H 0.301365 0.761120 0.520227 0.057 Uiso 0.5 1 calc GR . . A -1
H11B H 0.151288 0.755626 0.544751 0.057 Uiso 0.5 1 calc GR . . A -1
H11C H 0.159674 0.757090 0.425224 0.057 Uiso 0.5 1 calc GR . . A -1
C14 C 0.2864(8) 0.6091(3) 0.6135(5) 0.0322(15) Uani 0.5 1 d . U . A -2
H14A H 0.189253 0.615656 0.570180 0.048 Uiso 0.5 1 calc GR . . A -2
H14B H 0.321056 0.645932 0.654033 0.048 Uiso 0.5 1 calc GR . . A -2
H14C H 0.288152 0.575209 0.662098 0.048 Uiso 0.5 1 calc GR . . A -2
N3 N 0.3764(6) 0.5949(3) 0.5455(4) 0.0328(12) Uani 0.5 1 d . U . A -2
C15 C 0.5333(8) 0.5873(4) 0.6004(7) 0.0388(15) Uani 0.5 1 d . U . A -2
H15A H 0.549676 0.547354 0.634385 0.058 Uiso 0.5 1 calc GR . . A -2
H15B H 0.563870 0.619089 0.653735 0.058 Uiso 0.5 1 calc GR . . A -2
H15C H 0.587356 0.590488 0.548208 0.058 Uiso 0.5 1 calc GR . . A -2
C30 C 0.3210(9) 0.2941(4) 1.2003(5) 0.041(2) Uani 0.5 1 d . . . B -1
H30A H 0.407208 0.313027 1.191627 0.061 Uiso 0.5 1 calc GR . . B -1
H30B H 0.337610 0.279784 1.273086 0.061 Uiso 0.5 1 calc GR . . B -1
H30C H 0.244023 0.323850 1.184579 0.061 Uiso 0.5 1 calc GR . . B -1
N4 N 0.500000 0.500000 0.500000 0.100 Uiso 0.5 2 d DS T P C 3
C16 C 0.4756(15) 0.4460(5) 0.4570(11) 0.100 Uiso 0.5 1 d D . . C 3
C17 C 0.4579(16) 0.3834(7) 0.4215(13) 0.100 Uiso 0.5 1 d . . . C 3
H17A H 0.471213 0.356462 0.482637 0.150 Uiso 0.5 1 calc GR . . C 3
H17B H 0.527936 0.373676 0.383541 0.150 Uiso 0.5 1 calc GR . . C 3
H17C H 0.362599 0.377791 0.374401 0.150 Uiso 0.5 1 calc GR . . C 3
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'
S S 0.1246 0.1234 '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
O6 Co1 O6 180.00(10) 3_665 1_455 ?
O6 Co1 O3 88.17(7) 1_455 3_565 ?
O6 Co1 O3 91.82(7) 1_455 . ?
O6 Co1 O3 91.83(7) 3_665 3_565 ?
O6 Co1 O3 88.18(7) 3_665 . ?
O5 Co1 O6 95.57(7) 3_565 3_665 ?
O5 Co1 O6 84.43(7) . 3_665 ?
O5 Co1 O6 95.57(7) . 1_455 ?
O5 Co1 O6 84.43(7) 3_565 1_455 ?
O5 Co1 O5 180.0 3_565 . ?
O5 Co1 O3 86.72(7) 3_565 . ?
O5 Co1 O3 93.28(7) 3_565 3_565 ?
O5 Co1 O3 93.28(7) . . ?
O5 Co1 O3 86.73(7) . 3_565 ?
O3 Co1 O3 180.0 3_565 . ?
O6 Co2 O7 59.99(7) 1_455 1_455 ?
O1 Co2 O7 95.22(8) . 1_455 ?
O1 Co2 O6 154.54(8) . 1_455 ?
O1 Co2 N1 89.92(9) . . ?
O2 Co2 O7 166.27(8) . 1_455 ?
O2 Co2 O6 106.30(7) . 1_455 ?
O2 Co2 O1 98.51(8) . . ?
O2 Co2 N1 91.17(9) . . ?
O4 Co2 O7 89.41(8) . 1_455 ?
O4 Co2 O6 94.21(8) . 1_455 ?
O4 Co2 O1 90.99(8) . . ?
O4 Co2 O2 90.86(8) . . ?
O4 Co2 N1 177.63(9) . . ?
N1 Co2 O7 88.33(8) . 1_455 ?
N1 Co2 O6 84.04(8) . 1_455 ?
C8 S1 C8 91.27(19) . 4_575 ?
C5 S2 C2 91.34(13) . . ?
C6 O7 Co2 89.14(16) . 1_655 ?
Co1 O6 Co2 107.36(8) 1_655 1_655 ?
C6 O6 Co1 144.17(17) . 1_655 ?
C6 O6 Co2 90.66(16) . 1_655 ?
C7 O5 Co1 134.94(18) . . ?
C1 O3 Co1 130.54(18) . . ?
C13 O1 Co2 119.1(3) . . ?
C10 O1 Co2 122.7(3) . . ?
C1 O2 Co2 126.72(18) . . ?
C7 O4 Co2 128.73(18) . . ?
C18 N1 Co2 121.10(19) . . ?
C18 N1 C22 116.5(2) . . ?
C22 N1 Co2 122.42(19) . . ?
C23 N5 C23 117.6(3) . 4_565 ?
C5 C4 C3 112.3(3) . . ?
C4 C5 S2 112.0(2) . . ?
C4 C5 C6 129.1(3) . . ?
C6 C5 S2 118.9(2) . . ?
C30 O8 C29 127.8(4) . . ?
O5 C7 O4 127.2(2) . . ?
O5 C7 C8 117.8(2) . . ?
O4 C7 C8 115.1(2) . . ?
C27 C26 C25 121.39(18) . . ?
C27 C26 C25 121.39(18) 4_565 . ?
C27 C26 C27 117.2(4) 4_565 . ?
C7 C8 S1 116.7(2) . . ?
C9 C8 S1 112.1(2) . . ?
C9 C8 C7 131.0(3) . . ?
N5 C23 C20 116.0(2) . . ?
N5 C23 C24 122.7(3) . . ?
C24 C23 C20 121.3(3) . . ?
O7 C6 O6 119.8(2) . . ?
O7 C6 C5 119.7(2) . . ?
O6 C6 C5 120.5(2) . . ?
O3 C1 O2 126.8(2) . . ?
O3 C1 C2 118.0(2) . . ?
O2 C1 C2 115.2(2) . . ?
C1 C2 S2 118.4(2) . . ?
C3 C2 S2 111.5(2) . . ?
C3 C2 C1 129.9(3) . . ?
C24 C25 C26 121.79(18) . . ?
C24 C25 C26 121.79(18) 4_565 . ?
C24 C25 C24 116.4(4) 4_565 . ?
C28 C27 C26 121.8(3) . . ?
C2 C3 C4 112.8(3) . . ?
C19 C20 C23 122.2(3) . . ?
C19 C20 C21 116.5(3) . . ?
C21 C20 C23 121.3(3) . . ?
N1 C18 C19 123.7(3) . . ?
C25 C24 C23 120.3(3) . . ?
N1 C22 C21 123.4(3) . . ?
C18 C19 C20 119.9(3) . . ?
C8 C9 C9 112.29(17) . 4_575 ?
C27 C28 C29 119.7(3) . . ?
C22 C21 C20 120.0(3) . . ?
O8 C29 C28 120.0(2) . 4_565 ?
O8 C29 C28 120.0(2) . . ?
C28 C29 C28 119.9(4) . 4_565 ?
O1 C13 N3 121.9(6) . . ?
C10 N2 C12 123.2(6) . . ?
C10 N2 C11 118.9(5) . . ?
C11 N2 C12 117.9(5) . . ?
O1 C10 N2 123.4(6) . . ?
C13 N3 C14 122.6(6) . . ?
C13 N3 C15 121.3(6) . . ?
C14 N3 C15 116.1(6) . . ?
C16 N4 C16 180.0(4) 3_666 . ?
N4 C16 C17 173.2(15) . . ?
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 O6 2.0922(18) 1_455 ?
Co1 O6 2.0922(18) 3_665 ?
Co1 O5 2.0607(18) 3_565 ?
Co1 O5 2.0607(18) . ?
Co1 O3 2.1447(18) . ?
Co1 O3 2.1447(18) 3_565 ?
Co2 O7 2.2079(19) 1_455 ?
Co2 O6 2.1613(18) 1_455 ?
Co2 O1 2.076(2) . ?
Co2 O2 2.0322(19) . ?
Co2 O4 2.0218(19) . ?
Co2 N1 2.132(2) . ?
S1 C8 1.716(3) . ?
S1 C8 1.716(3) 4_575 ?
S2 C5 1.722(3) . ?
S2 C2 1.722(3) . ?
O7 C6 1.251(3) . ?
O6 C6 1.274(3) . ?
O5 C7 1.250(3) . ?
O3 C1 1.252(3) . ?
O1 C13 1.238(7) . ?
O1 C10 1.269(6) . ?
O2 C1 1.264(3) . ?
O4 C7 1.264(3) . ?
N1 C18 1.332(4) . ?
N1 C22 1.336(4) . ?
N5 C23 1.340(3) . ?
N5 C23 1.340(3) 4_565 ?
C4 C5 1.365(4) . ?
C4 C3 1.416(4) . ?
C5 C6 1.473(4) . ?
O8 C29 1.360(6) . ?
O8 C30 1.252(7) . ?
C7 C8 1.487(4) . ?
C26 C25 1.487(6) . ?
C26 C27 1.400(4) . ?
C26 C27 1.400(4) 4_565 ?
C8 C9 1.366(4) . ?
C23 C20 1.487(4) . ?
C23 C24 1.397(4) . ?
C1 C2 1.494(4) . ?
C2 C3 1.370(4) . ?
C25 C24 1.390(3) . ?
C25 C24 1.390(3) 4_565 ?
C27 C28 1.388(4) . ?
C20 C19 1.383(4) . ?
C20 C21 1.386(4) . ?
C18 C19 1.375(4) . ?
C22 C21 1.376(4) . ?
C9 C9 1.417(6) 4_575 ?
C28 C29 1.389(4) . ?
C13 N3 1.329(8) . ?
N2 C10 1.360(5) . ?
N2 C12 1.360(5) . ?
N2 C11 1.360(5) . ?
C14 N3 1.457(10) . ?
N3 C15 1.523(10) . ?
N4 C16 1.310(9) 3_666 ?
N4 C16 1.310(9) . ?
C16 C17 1.452(16) . ?
