#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/48/7034809.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_7034809
loop_
_publ_author_name
'Li, Zuo-Xi'
'Ye, Gan'
'Han, Juan'
'Yang, Ying'
'Zou, Kang-Yu'
'Wang, Xin'
'Wang, Xiao-Ling'
'Gou, Xiao-Feng'
_publ_section_title
;
 1D-3D mixed-ligand frameworks with an unusual dmp topology tuned by
 intersection angles of isomeric benzenedicarboxylates: magnetic
 properties, gas-dependent calcination-thermolysis and energy storage
 performances.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9209
_journal_page_last               9220
_journal_paper_doi               10.1039/c5dt00963d
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C105 H72.5 Co6 N13.5 O25'
_chemical_formula_weight         2276.84
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-09-14 deposited with the CCDC.
2015-04-24 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 112.540(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.577(4)
_cell_length_b                   21.515(4)
_cell_length_c                   20.120(4)
_cell_measurement_reflns_used    9937
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.7
_cell_measurement_theta_min      2.5
_cell_volume                     9426(3)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_sigmaI/netI    0.0641
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            68562
_diffrn_reflns_theta_full        28.45
_diffrn_reflns_theta_max         28.45
_diffrn_reflns_theta_min         0.94
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.120
_exptl_absorpt_correction_T_max  0.799
_exptl_absorpt_correction_T_min  0.756
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             4636
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.041
_refine_diff_density_min         -0.734
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1306
_refine_ls_number_reflns         23509
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1021
_refine_ls_R_factor_gt           0.0682
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0910P)²+24.3257P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1907
_refine_ls_wR_factor_ref         0.2040
_reflns_number_gt                15460
_reflns_number_total             23509
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00963d2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7034809--7034811.cif.'
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        'C105 H72.50 Co6 N13.50 O25'
_cod_database_code               7034809
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Co1 Co 1.33464(3) 0.69990(3) 0.52821(3) 0.03039(15) Uani 1 1 d .
Co2 Co 1.15805(3) 0.73297(3) 0.34204(3) 0.02754(14) Uani 1 1 d .
Co3 Co 0.99803(3) 0.66987(3) 0.23317(3) 0.03164(15) Uani 1 1 d .
Co4 Co 0.83770(3) 0.73118(3) 0.03973(3) 0.02694(14) Uani 1 1 d .
Co5 Co 0.66738(3) 0.68603(3) -0.08661(3) 0.03028(15) Uani 1 1 d .
Co6 Co 0.52742(3) 0.76612(3) -0.28174(3) 0.02836(14) Uani 1 1 d .
N1 N 1.10227(18) 0.7616(2) 0.3947(2) 0.0368(9) Uani 1 1 d .
N2 N 1.04625(18) 0.82828(19) 0.4265(2) 0.0350(9) Uani 1 1 d .
N3 N 0.77325(19) 1.18913(19) 0.3975(2) 0.0343(9) Uani 1 1 d .
N4 N 0.71041(19) 1.25176(19) 0.4224(2) 0.0354(9) Uani 1 1 d .
N5 N 0.95130(18) 0.71989(19) 0.2790(2) 0.0339(9) Uani 1 1 d .
N6 N 0.89153(19) 0.79006(18) 0.2978(2) 0.0322(9) Uani 1 1 d .
N7 N 0.61861(18) 1.15636(19) 0.2373(2) 0.0362(9) Uani 1 1 d .
N8 N 0.54664(18) 1.21355(19) 0.2528(2) 0.0356(9) Uani 1 1 d .
N9 N 0.61628(18) 0.73232(18) -0.0428(2) 0.0329(9) Uani 1 1 d .
N10 N 0.55122(19) 0.80173(18) -0.0328(2) 0.0329(9) Uani 1 1 d .
N11 N 0.28671(18) 1.17679(18) -0.1085(2) 0.0323(8) Uani 1 1 d .
N12 N 0.22433(18) 1.24161(18) -0.0846(2) 0.0334(9) Uani 1 1 d .
O1 O 1.29069(15) 0.62143(16) 0.4903(2) 0.0401(8) Uani 1 1 d .
O2 O 1.21069(15) 0.68168(15) 0.43560(18) 0.0363(8) Uani 1 1 d .
O3 O 1.13510(16) 0.64379(15) 0.30407(18) 0.0364(8) Uani 1 1 d .
O4 O 1.04878(16) 0.61764(19) 0.3156(2) 0.0488(10) Uani 1 1 d .
O5 O 1.34780(17) 0.74654(19) 0.4530(2) 0.0437(9) Uani 1 1 d .
O6 O 1.3925(2) 0.8275(3) 0.5224(2) 0.0797(16) Uani 1 1 d .
O7 O 1.23213(17) 0.74432(16) 0.30338(19) 0.0388(8) Uani 1 1 d .
O8 O 1.22046(14) 0.80873(14) 0.38123(17) 0.0309(7) Uani 1 1 d .
O9 O 1.10382(18) 0.78061(19) 0.2477(2) 0.0515(10) Uani 1 1 d .
O10 O 1.02249(16) 0.72753(18) 0.17528(19) 0.0434(9) Uani 1 1 d .
O11 O 0.92278(16) 0.74082(16) 0.02118(18) 0.0369(8) Uani 1 1 d .
O12 O 0.90286(15) 0.80507(16) 0.09366(18) 0.0349(7) Uani 1 1 d .
O13 O 0.95018(15) 0.60039(16) 0.1757(2) 0.0418(9) Uani 1 1 d .
O14 O 0.87754(16) 0.67023(14) 0.12788(18) 0.0352(7) Uani 1 1 d .
O15 O 0.80400(15) 0.64680(15) -0.01118(17) 0.0336(7) Uani 1 1 d .
O16 O 0.71215(16) 0.62691(17) -0.0100(2) 0.0427(9) Uani 1 1 d .
O17 O 0.79482(17) 0.78431(17) -0.05353(19) 0.0441(9) Uani 1 1 d .
O18 O 0.70252(16) 0.74949(18) -0.1272(2) 0.0439(9) Uani 1 1 d .
O19 O 0.59511(15) 0.83357(16) -0.21510(18) 0.0364(8) Uani 1 1 d .
O20 O 0.61695(16) 0.77096(17) -0.2879(2) 0.0419(8) Uani 1 1 d .
O21 O 0.62040(16) 0.62281(17) -0.1582(2) 0.0445(9) Uani 1 1 d .
O22 O 0.55361(17) 0.69784(15) -0.20302(18) 0.0392(8) Uani 1 1 d .
O23 O 0.49490(16) 0.69212(16) -0.35067(17) 0.0355(7) Uani 1 1 d .
O24 O 0.39828(16) 0.66100(19) -0.3889(2) 0.0496(10) Uani 1 1 d .
O1W O 0.4952(2) 0.8249(2) -0.3654(3) 0.0685(13) Uani 1 1 d .
C1 C 1.1946(2) 0.5716(2) 0.4431(3) 0.0311(10) Uani 1 1 d .
C2 C 1.2178(2) 0.5229(3) 0.4924(3) 0.0470(14) Uani 1 1 d .
H2 H 1.2563 0.5272 0.5292 0.056 Uiso 1 1 calc R
C3 C 1.1856(3) 0.4696(3) 0.4877(4) 0.0578(17) Uani 1 1 d .
H3 H 1.2022 0.4382 0.5214 0.069 Uiso 1 1 calc R
C4 C 1.1282(3) 0.4615(3) 0.4330(4) 0.0610(19) Uani 1 1 d .
H4 H 1.1066 0.4245 0.4289 0.073 Uiso 1 1 calc R
C5 C 1.1039(3) 0.5096(2) 0.3848(3) 0.0444(13) Uani 1 1 d .
H5 H 1.0650 0.5052 0.3487 0.053 Uiso 1 1 calc R
C6 C 1.1364(2) 0.5644(2) 0.3892(3) 0.0314(10) Uani 1 1 d .
C7 C 1.2333(2) 0.6290(2) 0.4549(2) 0.0311(10) Uani 1 1 d .
C8 C 1.1055(2) 0.6129(2) 0.3322(3) 0.0342(11) Uani 1 1 d .
C9 C 1.3538(2) 0.8399(2) 0.3960(3) 0.0357(11) Uani 1 1 d .
C10 C 1.3976(3) 0.8810(3) 0.3924(4) 0.0573(16) Uani 1 1 d .
H10 H 1.4350 0.8848 0.4310 0.069 Uiso 1 1 calc R
C11 C 1.3852(3) 0.9171(3) 0.3298(4) 0.072(2) Uani 1 1 d .
H11 H 1.4146 0.9446 0.3269 0.087 Uiso 1 1 calc R
C12 C 1.3298(3) 0.9115(3) 0.2734(4) 0.0636(18) Uani 1 1 d .
H12 H 1.3214 0.9358 0.2325 0.076 Uiso 1 1 calc R
C13 C 1.2869(3) 0.8706(3) 0.2768(3) 0.0438(12) Uani 1 1 d .
H13 H 1.2495 0.8672 0.2378 0.053 Uiso 1 1 calc R
C14 C 1.2979(2) 0.8339(2) 0.3375(3) 0.0301(9) Uani 1 1 d .
C15 C 1.3668(2) 0.8019(3) 0.4626(3) 0.0451(13) Uani 1 1 d .
C16 C 1.2478(2) 0.7923(2) 0.3411(2) 0.0269(9) Uani 1 1 d .
C17 C 1.0504(2) 0.8185(2) 0.1301(3) 0.0353(11) Uani 1 1 d .
C18 C 1.0988(3) 0.8556(3) 0.1321(3) 0.0566(16) Uani 1 1 d .
H18 H 1.1368 0.8516 0.1699 0.068 Uiso 1 1 calc R
C19 C 1.0913(3) 0.8991(4) 0.0776(4) 0.078(2) Uani 1 1 d .
H19 H 1.1242 0.9239 0.0796 0.094 Uiso 1 1 calc R
C20 C 1.0368(3) 0.9053(3) 0.0225(3) 0.0574(16) Uani 1 1 d .
H20 H 1.0320 0.9347 -0.0131 0.069 Uiso 1 1 calc R
C21 C 0.9885(3) 0.8683(3) 0.0189(3) 0.0434(12) Uani 1 1 d .
H21 H 0.9510 0.8729 -0.0196 0.052 Uiso 1 1 calc R
C22 C 0.9940(2) 0.8235(2) 0.0719(2) 0.0321(10) Uani 1 1 d .
C23 C 1.0597(2) 0.7722(2) 0.1895(3) 0.0338(10) Uani 1 1 d .
C24 C 0.9374(2) 0.7866(2) 0.0634(2) 0.0286(9) Uani 1 1 d .
C25 C 0.8502(2) 0.5610(2) 0.1174(3) 0.0307(10) Uani 1 1 d .
C26 C 0.8672(2) 0.5085(2) 0.1601(3) 0.0403(12) Uani 1 1 d .
H26 H 0.9054 0.5071 0.1979 0.048 Uiso 1 1 calc R
C27 C 0.8281(3) 0.4576(2) 0.1473(3) 0.0476(14) Uani 1 1 d .
H27 H 0.8406 0.4221 0.1757 0.057 Uiso 1 1 calc R
C28 C 0.7710(3) 0.4596(2) 0.0927(3) 0.0468(13) Uani 1 1 d .
H28 H 0.7444 0.4259 0.0845 0.056 Uiso 1 1 calc R
C29 C 0.7534(2) 0.5117(2) 0.0504(3) 0.0379(11) Uani 1 1 d .
H29 H 0.7147 0.5128 0.0134 0.046 Uiso 1 1 calc R
C30 C 0.7923(2) 0.5633(2) 0.0615(2) 0.0291(9) Uani 1 1 d .
C31 C 0.8948(2) 0.6152(2) 0.1395(2) 0.0323(10) Uani 1 1 d .
C32 C 0.7689(2) 0.6173(2) 0.0100(2) 0.0275(9) Uani 1 1 d .
C33 C 0.7453(2) 0.8343(2) -0.1649(2) 0.0305(10) Uani 1 1 d .
C34 C 0.7988(2) 0.8675(3) -0.1563(3) 0.0443(13) Uani 1 1 d .
H34 H 0.8347 0.8596 -0.1167 0.053 Uiso 1 1 calc R
C35 C 0.7987(3) 0.9120(3) -0.2061(4) 0.0567(16) Uani 1 1 d .
H35 H 0.8346 0.9336 -0.1997 0.068 Uiso 1 1 calc R
C36 C 0.7466(3) 0.9243(3) -0.2641(4) 0.069(2) Uani 1 1 d .
H36 H 0.7466 0.9547 -0.2969 0.083 Uiso 1 1 calc R
C37 C 0.6938(3) 0.8919(3) -0.2741(3) 0.0540(16) Uani 1 1 d .
H37 H 0.6584 0.9001 -0.3144 0.065 Uiso 1 1 calc R
C38 C 0.6921(2) 0.8465(2) -0.2248(3) 0.0332(10) Uani 1 1 d .
C39 C 0.7482(2) 0.7860(2) -0.1104(3) 0.0314(10) Uani 1 1 d .
C40 C 0.6320(2) 0.8136(2) -0.2419(2) 0.0310(10) Uani 1 1 d .
C41 C 0.5213(2) 0.5919(2) -0.2380(2) 0.0289(9) Uani 1 1 d .
C42 C 0.5303(3) 0.5344(2) -0.2019(3) 0.0424(12) Uani 1 1 d .
H42 H 0.5651 0.5287 -0.1601 0.051 Uiso 1 1 calc R
C43 C 0.4893(3) 0.4867(2) -0.2265(4) 0.0488(14) Uani 1 1 d .
H43 H 0.4964 0.4494 -0.2013 0.059 Uiso 1 1 calc R
C44 C 0.4375(3) 0.4937(2) -0.2885(3) 0.0466(14) Uani 1 1 d .
H44 H 0.4096 0.4612 -0.3054 0.056 Uiso 1 1 calc R
C45 C 0.4275(2) 0.5497(2) -0.3253(3) 0.0382(11) Uani 1 1 d .
H45 H 0.3927 0.5543 -0.3672 0.046 Uiso 1 1 calc R
C46 C 0.4684(2) 0.5994(2) -0.3011(3) 0.0297(9) Uani 1 1 d .
C47 C 0.5677(2) 0.6414(2) -0.1989(2) 0.0311(10) Uani 1 1 d .
C48 C 0.4540(2) 0.6562(2) -0.3491(2) 0.0288(9) Uani 1 1 d .
C49 C 1.0690(2) 0.8131(2) 0.3768(3) 0.0377(11) Uani 1 1 d .
H49 H 1.0623 0.8359 0.3352 0.045 Uiso 1 1 calc R
C50 C 1.0998(2) 0.7431(3) 0.4589(3) 0.0433(12) Uani 1 1 d .
H50 H 1.1191 0.7080 0.4845 0.052 Uiso 1 1 calc R
C51 C 1.0656(3) 0.7826(3) 0.4796(3) 0.0447(13) Uani 1 1 d .
H51 H 1.0567 0.7800 0.5208 0.054 Uiso 1 1 calc R
C52 C 1.0085(2) 0.8815(2) 0.4241(3) 0.0367(11) Uani 1 1 d .
C53 C 1.0121(3) 0.9334(3) 0.3867(4) 0.0512(15) Uani 1 1 d .
H53 H 1.0398 0.9348 0.3640 0.061 Uiso 1 1 calc R
C54 C 0.9745(3) 0.9842(3) 0.3826(3) 0.0489(14) Uani 1 1 d .
H54 H 0.9771 1.0189 0.3564 0.059 Uiso 1 1 calc R
C55 C 0.9330(2) 0.9843(2) 0.4169(3) 0.0346(10) Uani 1 1 d .
C56 C 0.9322(3) 0.9314(2) 0.4569(3) 0.0439(13) Uani 1 1 d .
H56 H 0.9060 0.9302 0.4816 0.053 Uiso 1 1 calc R
C57 C 0.9694(3) 0.8807(3) 0.4606(3) 0.0466(13) Uani 1 1 d .
H57 H 0.9680 0.8460 0.4876 0.056 Uiso 1 1 calc R
C58 C 0.8928(2) 1.0379(2) 0.4130(3) 0.0322(10) Uani 1 1 d .
C59 C 0.8872(3) 1.0884(3) 0.3671(4) 0.0524(16) Uani 1 1 d .
H59 H 0.9104 1.0884 0.3387 0.063 Uiso 1 1 calc R
C60 C 0.8495(3) 1.1376(3) 0.3621(3) 0.0519(15) Uani 1 1 d .
H60 H 0.8472 1.1703 0.3310 0.062 Uiso 1 1 calc R
C61 C 0.8148(2) 1.1385(2) 0.4035(3) 0.0336(10) Uani 1 1 d .
C62 C 0.8174(3) 1.0901(3) 0.4482(4) 0.0629(19) Uani 1 1 d .
H62 H 0.7931 1.0902 0.4752 0.075 Uiso 1 1 calc R
C63 C 0.8561(3) 1.0411(3) 0.4531(4) 0.066(2) Uani 1 1 d .
H63 H 0.8579 1.0088 0.4845 0.079 Uiso 1 1 calc R
C64 C 0.7487(2) 1.2049(2) 0.4460(3) 0.0352(11) Uani 1 1 d .
H64 H 0.7576 1.1852 0.4900 0.042 Uiso 1 1 calc R
C65 C 0.7487(3) 1.2298(3) 0.3404(3) 0.0470(14) Uani 1 1 d .
H65 H 0.7569 1.2308 0.2987 0.056 Uiso 1 1 calc R
C66 C 0.7106(3) 1.2677(3) 0.3571(3) 0.0456(13) Uani 1 1 d .
H66 H 0.6878 1.2998 0.3283 0.055 Uiso 1 1 calc R
C67 C 0.9169(2) 0.7691(2) 0.2525(3) 0.0340(10) Uani 1 1 d .
H67 H 0.9109 0.7870 0.2082 0.041 Uiso 1 1 calc R
C68 C 0.9477(3) 0.7086(2) 0.3445(3) 0.0406(12) Uani 1 1 d .
H68 H 0.9677 0.6765 0.3756 0.049 Uiso 1 1 calc R
C69 C 0.9109(3) 0.7512(2) 0.3568(3) 0.0423(12) Uani 1 1 d .
H69 H 0.9007 0.7538 0.3970 0.051 Uiso 1 1 calc R
C70 C 0.8526(2) 0.8435(2) 0.2874(3) 0.0325(10) Uani 1 1 d .
C71 C 0.8529(3) 0.8897(3) 0.2401(3) 0.0453(13) Uani 1 1 d .
H71 H 0.8781 0.8863 0.2143 0.054 Uiso 1 1 calc R
C72 C 0.8152(3) 0.9417(3) 0.2313(3) 0.0503(15) Uani 1 1 d .
H72 H 0.8157 0.9728 0.1993 0.060 Uiso 1 1 calc R
C73 C 0.7769(2) 0.9480(2) 0.2694(3) 0.0340(10) Uani 1 1 d .
C74 C 0.7784(3) 0.9008(3) 0.3166(3) 0.0506(15) Uani 1 1 d .
H74 H 0.7535 0.9038 0.3428 0.061 Uiso 1 1 calc R
C75 C 0.8156(3) 0.8494(3) 0.3259(3) 0.0531(16) Uani 1 1 d .
H75 H 0.8157 0.8186 0.3583 0.064 Uiso 1 1 calc R
C76 C 0.7373(2) 1.0028(2) 0.2607(3) 0.0340(10) Uani 1 1 d .
C77 C 0.7416(3) 1.0560(3) 0.2241(3) 0.0471(14) Uani 1 1 d .
H77 H 0.7713 1.0578 0.2044 0.057 Uiso 1 1 calc R
C78 C 0.7033(3) 1.1063(3) 0.2161(3) 0.0457(13) Uani 1 1 d .
H78 H 0.7077 1.1412 0.1911 0.055 Uiso 1 1 calc R
C79 C 0.6591(2) 1.1054(2) 0.2443(3) 0.0361(11) Uani 1 1 d .
C80 C 0.6544(3) 1.0523(3) 0.2809(5) 0.079(3) Uani 1 1 d .
H80 H 0.6256 1.0510 0.3020 0.095 Uiso 1 1 calc R
C81 C 0.6909(3) 1.0022(3) 0.2864(4) 0.070(2) Uani 1 1 d .
H81 H 0.6844 0.9663 0.3084 0.084 Uiso 1 1 calc R
C82 C 0.5802(2) 1.1632(2) 0.2726(3) 0.0370(11) Uani 1 1 d .
H82 H 0.5780 1.1354 0.3069 0.044 Uiso 1 1 calc R
C83 C 0.6082(2) 1.2071(2) 0.1916(3) 0.0407(12) Uani 1 1 d .
H83 H 0.6274 1.2157 0.1600 0.049 Uiso 1 1 calc R
C84 C 0.5646(2) 1.2413(2) 0.2022(3) 0.0384(11) Uani 1 1 d .
H84 H 0.5489 1.2784 0.1787 0.046 Uiso 1 1 calc R
C85 C 0.5846(2) 0.7834(2) -0.0701(2) 0.0316(10) Uani 1 1 d .
H85 H 0.5855 0.8040 -0.1103 0.038 Uiso 1 1 calc R
C86 C 0.6021(3) 0.7180(3) 0.0160(3) 0.0475(14) Uani 1 1 d .
H86 H 0.6176 0.6840 0.0461 0.057 Uiso 1 1 calc R
C87 C 0.5629(3) 0.7599(2) 0.0234(3) 0.0435(13) Uani 1 1 d .
H87 H 0.5468 0.7608 0.0590 0.052 Uiso 1 1 calc R
C88 C 0.5122(2) 0.8550(2) -0.0472(2) 0.0294(9) Uani 1 1 d .
C89 C 0.5177(3) 0.9020(3) -0.0901(4) 0.0528(16) Uani 1 1 d .
H89 H 0.5467 0.8993 -0.1108 0.063 Uiso 1 1 calc R
C90 C 0.4797(3) 0.9539(3) -0.1028(3) 0.0508(15) Uani 1 1 d .
H90 H 0.4834 0.9851 -0.1328 0.061 Uiso 1 1 calc R
C91 C 0.4368(2) 0.9602(2) -0.0723(3) 0.0309(10) Uani 1 1 d .
C92 C 0.4322(2) 0.9117(3) -0.0299(3) 0.0425(13) Uani 1 1 d .
H92 H 0.4032 0.9141 -0.0091 0.051 Uiso 1 1 calc R
C93 C 0.4689(3) 0.8599(3) -0.0171(3) 0.0451(13) Uani 1 1 d .
H93 H 0.4644 0.8280 0.0118 0.054 Uiso 1 1 calc R
C94 C 0.3976(2) 1.0168(2) -0.0840(3) 0.0316(10) Uani 1 1 d .
C95 C 0.4039(2) 1.0681(2) -0.1222(3) 0.0409(12) Uani 1 1 d .
H95 H 0.4330 1.0671 -0.1429 0.049 Uiso 1 1 calc R
C96 C 0.3683(2) 1.1207(2) -0.1307(3) 0.0396(12) Uani 1 1 d .
H96 H 0.3743 1.1547 -0.1558 0.047 Uiso 1 1 calc R
C97 C 0.3240(2) 1.1227(2) -0.1022(3) 0.0322(10) Uani 1 1 d .
C98 C 0.3144(3) 1.0712(3) -0.0674(4) 0.069(2) Uani 1 1 d .
H98 H 0.2829 1.0716 -0.0504 0.082 Uiso 1 1 calc R
C99 C 0.3506(3) 1.0193(3) -0.0575(4) 0.066(2) Uani 1 1 d .
H99 H 0.3438 0.9853 -0.0328 0.080 Uiso 1 1 calc R
C100 C 0.2548(2) 1.1887(2) -0.0664(3) 0.0346(10) Uani 1 1 d .
H100 H 0.2544 1.1630 -0.0294 0.042 Uiso 1 1 calc R
C101 C 0.2757(3) 1.2252(2) -0.1564(3) 0.0439(13) Uani 1 1 d .
H101 H 0.2914 1.2300 -0.1920 0.053 Uiso 1 1 calc R
C102 C 0.2375(2) 1.2644(2) -0.1414(3) 0.0390(11) Uani 1 1 d .
H102 H 0.2223 1.3013 -0.1656 0.047 Uiso 1 1 calc R
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'
Co Co 0.3494 0.9721 '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 Co1 O24 126.02(16) . 1_656
O5 Co1 O1 111.02(17) . .
O24 Co1 O1 94.64(16) 1_656 .
O5 Co1 N4 113.13(17) . 3_776
O24 Co1 N4 100.34(17) 1_656 3_776
O1 Co1 N4 109.64(16) . 3_776
O3 Co2 N1 109.77(16) . .
O3 Co2 O9 97.87(15) . .
N1 Co2 O9 91.78(17) . .
O3 Co2 O2 79.97(13) . .
N1 Co2 O2 88.34(15) . .
O9 Co2 O2 177.74(14) . .
O3 Co2 O8 153.46(13) . .
N1 Co2 O8 93.84(15) . .
O9 Co2 O8 93.20(14) . .
O2 Co2 O8 89.05(13) . .
O3 Co2 O7 96.00(13) . .
N1 Co2 O7 154.22(15) . .
O9 Co2 O7 85.22(16) . .
O2 Co2 O7 95.65(14) . .
O8 Co2 O7 60.88(12) . .
O3 Co2 C16 125.48(15) . .
N1 Co2 C16 124.22(16) . .
O9 Co2 C16 88.15(15) . .
O2 Co2 C16 93.65(14) . .
O8 Co2 C16 30.65(13) . .
O7 Co2 C16 30.25(13) . .
O10 Co3 O13 111.74(17) . .
O10 Co3 O4 130.10(16) . .
O13 Co3 O4 95.05(16) . .
O10 Co3 N5 106.05(17) . .
O13 Co3 N5 112.84(16) . .
O4 Co3 N5 100.46(17) . .
N12 Co4 O15 105.06(15) 3_675 .
N12 Co4 O17 93.28(16) 3_675 .
O15 Co4 O17 94.17(14) . .
N12 Co4 O14 88.31(15) 3_675 .
O15 Co4 O14 80.52(13) . .
O17 Co4 O14 174.69(14) . .
N12 Co4 O11 153.24(15) 3_675 .
O15 Co4 O11 101.56(13) . .
O17 Co4 O11 87.40(14) . .
O14 Co4 O11 93.46(14) . .
N12 Co4 O12 93.27(14) 3_675 .
O15 Co4 O12 159.83(13) . .
O17 Co4 O12 93.08(14) . .
O14 Co4 O12 91.88(13) . .
O11 Co4 O12 60.00(12) . .
N12 Co4 C24 123.18(16) 3_675 .
O15 Co4 C24 131.19(14) . .
O17 Co4 C24 90.35(14) . .
O14 Co4 C24 93.02(14) . .
O11 Co4 C24 30.09(13) . .
O12 Co4 C24 29.91(13) . .
O18 Co5 O16 126.90(15) . .
O18 Co5 O21 112.86(17) . .
O16 Co5 O21 96.22(16) . .
O18 Co5 N9 105.18(17) . .
O16 Co5 N9 102.02(16) . .
O21 Co5 N9 113.40(16) . .
O1W Co6 O23 89.93(17) . .
O1W Co6 O22 173.30(17) . .
O23 Co6 O22 83.78(13) . .
O1W Co6 N8 90.77(19) . 3_675
O23 Co6 N8 102.40(15) . 3_675
O22 Co6 N8 88.36(16) . 3_675
O1W Co6 O20 89.18(18) . .
O23 Co6 O20 96.78(14) . .
O22 Co6 O20 93.82(15) . .
N8 Co6 O20 160.82(15) 3_675 .
O1W Co6 O19 92.79(17) . .
O23 Co6 O19 156.95(13) . .
O22 Co6 O19 93.89(13) . .
N8 Co6 O19 100.45(15) 3_675 .
O20 Co6 O19 60.40(13) . .
O1W Co6 C40 91.24(17) . .
O23 Co6 C40 126.82(15) . .
O22 Co6 C40 94.35(15) . .
N8 Co6 C40 130.73(17) 3_675 .
O20 Co6 C40 30.12(14) . .
O19 Co6 C40 30.29(14) . .
C49 N1 C50 105.3(4) . .
C49 N1 Co2 122.3(3) . .
C50 N1 Co2 131.2(3) . .
C49 N2 C51 107.0(4) . .
C49 N2 C52 125.8(4) . .
C51 N2 C52 127.2(4) . .
C64 N3 C65 106.4(4) . .
C64 N3 C61 126.4(4) . .
C65 N3 C61 127.1(4) . .
C64 N4 C66 106.6(4) . .
C64 N4 Co1 129.9(3) . 3_776
C66 N4 Co1 123.2(3) . 3_776
C67 N5 C68 106.0(4) . .
C67 N5 Co3 127.5(3) . .
C68 N5 Co3 126.5(3) . .
C67 N6 C69 107.0(4) . .
C67 N6 C70 126.6(4) . .
C69 N6 C70 126.4(4) . .
C82 N7 C83 106.0(4) . .
C82 N7 C79 126.0(4) . .
C83 N7 C79 127.9(4) . .
C82 N8 C84 105.1(4) . .
C82 N8 Co6 124.2(3) . 3_675
C84 N8 Co6 129.9(3) . 3_675
C85 N9 C86 105.0(4) . .
C85 N9 Co5 124.5(3) . .
C86 N9 Co5 130.4(3) . .
C85 N10 C87 106.9(4) . .
C85 N10 C88 126.5(4) . .
C87 N10 C88 126.6(4) . .
C100 N11 C101 107.1(4) . .
C100 N11 C97 124.5(4) . .
C101 N11 C97 128.4(4) . .
C100 N12 C102 105.3(4) . .
C100 N12 Co4 121.4(3) . 3_675
C102 N12 Co4 132.7(3) . 3_675
C7 O1 Co1 113.2(3) . .
C7 O2 Co2 141.4(3) . .
C8 O3 Co2 116.2(3) . .
C8 O4 Co3 120.6(4) . .
C15 O5 Co1 121.6(4) . .
C16 O7 Co2 88.1(3) . .
C16 O8 Co2 89.9(3) . .
C23 O9 Co2 141.0(4) . .
C23 O10 Co3 134.1(3) . .
C24 O11 Co4 89.5(3) . .
C24 O12 Co4 89.6(3) . .
C31 O13 Co3 112.4(3) . .
C31 O14 Co4 139.0(3) . .
C32 O15 Co4 117.0(3) . .
C32 O16 Co5 122.8(3) . .
C39 O17 Co4 142.2(3) . .
C39 O18 Co5 141.4(3) . .
C40 O19 Co6 88.4(3) . .
C40 O20 Co6 89.9(3) . .
C47 O21 Co5 113.0(3) . .
C47 O22 Co6 137.0(3) . .
C48 O23 Co6 123.7(3) . .
C48 O24 Co1 148.8(4) . 1_454
C6 C1 C2 117.9(5) . .
C6 C1 C7 124.9(4) . .
C2 C1 C7 117.1(4) . .
C3 C2 C1 121.7(5) . .
C3 C2 H2 119.1 . .
C1 C2 H2 119.1 . .
C2 C3 C4 120.6(5) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C5 C4 C3 118.5(5) . .
C5 C4 H4 120.8 . .
C3 C4 H4 120.8 . .
C4 C5 C6 121.3(6) . .
C4 C5 H5 119.4 . .
C6 C5 H5 119.4 . .
C5 C6 C1 119.9(5) . .
C5 C6 C8 116.3(4) . .
C1 C6 C8 123.8(4) . .
O2 C7 O1 121.7(4) . .
O2 C7 C1 122.5(4) . .
O1 C7 C1 115.6(4) . .
O3 C8 O4 124.3(5) . .
O3 C8 C6 121.4(4) . .
O4 C8 C6 114.2(4) . .
C10 C9 C14 119.9(5) . .
C10 C9 C15 119.7(5) . .
C14 C9 C15 120.5(4) . .
C9 C10 C11 119.7(6) . .
C9 C10 H10 120.1 . .
C11 C10 H10 120.1 . .
C12 C11 C10 119.8(5) . .
C12 C11 H11 120.1 . .
C10 C11 H11 120.1 . .
C13 C12 C11 120.5(6) . .
C13 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C12 C13 C14 121.1(6) . .
C12 C13 H13 119.4 . .
C14 C13 H13 119.4 . .
C13 C14 C9 119.0(4) . .
C13 C14 C16 119.6(4) . .
C9 C14 C16 121.3(4) . .
O6 C15 O5 125.2(6) . .
O6 C15 C9 118.6(6) . .
O5 C15 C9 116.1(5) . .
O7 C16 O8 121.0(4) . .
O7 C16 C14 121.2(4) . .
O8 C16 C14 117.8(4) . .
O7 C16 Co2 61.6(2) . .
O8 C16 Co2 59.5(2) . .
C14 C16 Co2 174.0(3) . .
C18 C17 C22 119.3(5) . .
C18 C17 C23 119.5(5) . .
C22 C17 C23 121.2(4) . .
C17 C18 C19 120.6(6) . .
C17 C18 H18 119.7 . .
C19 C18 H18 119.7 . .
C20 C19 C18 120.4(6) . .
C20 C19 H19 119.8 . .
C18 C19 H19 119.8 . .
C19 C20 C21 120.0(6) . .
C19 C20 H20 120.0 . .
C21 C20 H20 120.0 . .
C20 C21 C22 121.6(5) . .
C20 C21 H21 119.2 . .
C22 C21 H21 119.2 . .
C17 C22 C21 118.1(5) . .
C17 C22 C24 124.8(4) . .
C21 C22 C24 117.0(4) . .
O9 C23 O10 125.7(5) . .
O9 C23 C17 117.7(5) . .
O10 C23 C17 116.6(4) . .
O12 C24 O11 121.0(4) . .
O12 C24 C22 119.4(4) . .
O11 C24 C22 119.3(4) . .
O12 C24 Co4 60.5(2) . .
O11 C24 Co4 60.5(2) . .
C22 C24 Co4 174.8(3) . .
C26 C25 C30 119.4(4) . .
C26 C25 C31 116.2(4) . .
C30 C25 C31 124.2(4) . .
C25 C26 C27 120.9(5) . .
C25 C26 H26 119.6 . .
C27 C26 H26 119.6 . .
C28 C27 C26 120.0(5) . .
C28 C27 H27 120.0 . .
C26 C27 H27 120.0 . .
C27 C28 C29 119.5(5) . .
C27 C28 H28 120.2 . .
C29 C28 H28 120.2 . .
C28 C29 C30 121.6(5) . .
C28 C29 H29 119.2 . .
C30 C29 H29 119.2 . .
C25 C30 C29 118.5(4) . .
C25 C30 C32 124.4(4) . .
C29 C30 C32 117.0(4) . .
O14 C31 O13 122.5(5) . .
O14 C31 C25 122.4(4) . .
O13 C31 C25 114.9(4) . .
O15 C32 O16 125.0(4) . .
O15 C32 C30 120.9(4) . .
O16 C32 C30 114.0(4) . .
C38 C33 C34 118.7(4) . .
C38 C33 C39 122.6(4) . .
C34 C33 C39 118.6(4) . .
C35 C34 C33 120.8(5) . .
C35 C34 H34 119.6 . .
C33 C34 H34 119.6 . .
C36 C35 C34 120.4(5) . .
C36 C35 H35 119.8 . .
C34 C35 H35 119.8 . .
C35 C36 C37 119.9(5) . .
C35 C36 H36 120.0 . .
C37 C36 H36 120.0 . .
C36 C37 C38 121.3(5) . .
C36 C37 H37 119.4 . .
C38 C37 H37 119.4 . .
C33 C38 C37 118.9(5) . .
C33 C38 C40 124.6(4) . .
C37 C38 C40 116.5(4) . .
O17 C39 O18 125.8(5) . .
O17 C39 C33 118.1(4) . .
O18 C39 C33 116.1(4) . .
O20 C40 O19 121.2(4) . .
O20 C40 C38 119.3(4) . .
O19 C40 C38 119.1(4) . .
O20 C40 Co6 60.0(2) . .
O19 C40 Co6 61.3(2) . .
C38 C40 Co6 173.9(3) . .
C46 C41 C42 118.2(5) . .
C46 C41 C47 126.9(4) . .
C42 C41 C47 114.5(4) . .
C43 C42 C41 121.8(5) . .
C43 C42 H42 119.1 . .
C41 C42 H42 119.1 . .
C42 C43 C44 120.3(5) . .
C42 C43 H43 119.8 . .
C44 C43 H43 119.8 . .
C43 C44 C45 119.1(5) . .
C43 C44 H44 120.4 . .
C45 C44 H44 120.4 . .
C44 C45 C46 121.8(5) . .
C44 C45 H45 119.1 . .
C46 C45 H45 119.1 . .
C45 C46 C41 118.7(4) . .
C45 C46 C48 116.1(4) . .
C41 C46 C48 125.0(4) . .
O22 C47 O21 121.3(5) . .
O22 C47 C41 121.9(4) . .
O21 C47 C41 116.6(4) . .
O23 C48 O24 124.4(4) . .
O23 C48 C46 122.0(4) . .
O24 C48 C46 113.5(4) . .
N1 C49 N2 111.3(5) . .
N1 C49 H49 124.3 . .
N2 C49 H49 124.3 . .
C51 C50 N1 110.9(5) . .
C51 C50 H50 124.6 . .
N1 C50 H50 124.6 . .
C50 C51 N2 105.5(5) . .
C50 C51 H51 127.2 . .
N2 C51 H51 127.2 . .
C53 C52 C57 119.9(5) . .
C53 C52 N2 120.0(5) . .
C57 C52 N2 120.1(5) . .
C52 C53 C54 120.1(5) . .
C52 C53 H53 119.9 . .
C54 C53 H53 119.9 . .
C53 C54 C55 121.6(5) . .
C53 C54 H54 119.2 . .
C55 C54 H54 119.2 . .
C54 C55 C56 116.6(5) . .
C54 C55 C58 122.2(4) . .
C56 C55 C58 121.1(4) . .
C57 C56 C55 121.7(5) . .
C57 C56 H56 119.1 . .
C55 C56 H56 119.1 . .
C52 C57 C56 120.0(5) . .
C52 C57 H57 120.0 . .
C56 C57 H57 120.0 . .
C63 C58 C59 114.9(5) . .
C63 C58 C55 122.5(5) . .
C59 C58 C55 122.5(4) . .
C60 C59 C58 123.1(5) . .
C60 C59 H59 118.5 . .
C58 C59 H59 118.5 . .
C59 C60 C61 119.4(5) . .
C59 C60 H60 120.3 . .
C61 C60 H60 120.3 . .
C62 C61 C60 120.2(5) . .
C62 C61 N3 119.5(4) . .
C60 C61 N3 120.3(5) . .
C61 C62 C63 119.7(5) . .
C61 C62 H62 120.1 . .
C63 C62 H62 120.1 . .
C62 C63 C58 122.7(5) . .
C62 C63 H63 118.7 . .
C58 C63 H63 118.7 . .
N4 C64 N3 110.8(4) . .
N4 C64 H64 124.6 . .
N3 C64 H64 124.6 . .
C66 C65 N3 106.3(5) . .
C66 C65 H65 126.8 . .
N3 C65 H65 126.8 . .
C65 C66 N4 109.8(5) . .
C65 C66 H66 125.1 . .
N4 C66 H66 125.1 . .
N5 C67 N6 111.1(4) . .
N5 C67 H67 124.5 . .
N6 C67 H67 124.5 . .
C69 C68 N5 109.7(5) . .
C69 C68 H68 125.2 . .
N5 C68 H68 125.2 . .
C68 C69 N6 106.2(4) . .
C68 C69 H69 126.9 . .
N6 C69 H69 126.9 . .
C75 C70 C71 119.6(5) . .
C75 C70 N6 120.0(4) . .
C71 C70 N6 120.4(4) . .
C70 C71 C72 119.6(5) . .
C70 C71 H71 120.2 . .
C72 C71 H71 120.2 . .
C71 C72 C73 121.4(5) . .
C71 C72 H72 119.3 . .
C73 C72 H72 119.3 . .
C74 C73 C72 117.0(5) . .
C74 C73 C76 121.2(4) . .
C72 C73 C76 121.8(5) . .
C75 C74 C73 122.0(5) . .
C75 C74 H74 119.0 . .
C73 C74 H74 119.0 . .
C70 C75 C74 120.3(5) . .
C70 C75 H75 119.8 . .
C74 C75 H75 119.8 . .
C81 C76 C77 115.9(5) . .
C81 C76 C73 120.5(5) . .
C77 C76 C73 123.5(4) . .
C78 C77 C76 122.3(5) . .
C78 C77 H77 118.9 . .
C76 C77 H77 118.9 . .
C79 C78 C77 120.6(5) . .
C79 C78 H78 119.7 . .
C77 C78 H78 119.7 . .
C78 C79 C80 117.5(5) . .
C78 C79 N7 122.5(4) . .
C80 C79 N7 120.0(4) . .
C81 C80 C79 121.4(5) . .
C81 C80 H80 119.3 . .
C79 C80 H80 119.3 . .
C80 C81 C76 122.1(5) . .
C80 C81 H81 119.0 . .
C76 C81 H81 119.0 . .
N8 C82 N7 112.2(4) . .
N8 C82 H82 123.9 . .
N7 C82 H82 123.9 . .
C84 C83 N7 106.2(4) . .
C84 C83 H83 126.9 . .
N7 C83 H83 126.9 . .
C83 C84 N8 110.4(5) . .
C83 C84 H84 124.8 . .
N8 C84 H84 124.8 . .
N9 C85 N10 111.8(4) . .
N9 C85 H85 124.1 . .
N10 C85 H85 124.1 . .
C87 C86 N9 110.4(5) . .
C87 C86 H86 124.8 . .
N9 C86 H86 124.8 . .
C86 C87 N10 106.0(5) . .
C86 C87 H87 127.0 . .
N10 C87 H87 127.0 . .
C89 C88 C93 119.2(4) . .
C89 C88 N10 120.8(4) . .
C93 C88 N10 120.0(4) . .
C88 C89 C90 119.9(5) . .
C88 C89 H89 120.0 . .
C90 C89 H89 120.0 . .
C91 C90 C89 121.9(5) . .
C91 C90 H90 119.0 . .
C89 C90 H90 119.0 . .
C90 C91 C92 116.4(4) . .
C90 C91 C94 121.8(4) . .
C92 C91 C94 121.8(4) . .
C93 C92 C91 122.6(4) . .
C93 C92 H92 118.7 . .
C91 C92 H92 118.7 . .
C92 C93 C88 119.9(5) . .
C92 C93 H93 120.0 . .
C88 C93 H93 120.0 . .
C95 C94 C99 116.6(4) . .
C95 C94 C91 123.2(4) . .
C99 C94 C91 120.1(4) . .
C96 C95 C94 122.2(4) . .
C96 C95 H95 118.9 . .
C94 C95 H95 118.9 . .
C97 C96 C95 119.9(5) . .
C97 C96 H96 120.0 . .
C95 C96 H96 120.0 . .
C96 C97 C98 119.2(5) . .
C96 C97 N11 121.9(4) . .
C98 C97 N11 118.9(4) . .
C99 C98 C97 121.0(5) . .
C99 C98 H98 119.5 . .
C97 C98 H98 119.5 . .
C98 C99 C94 120.9(5) . .
C98 C99 H99 119.6 . .
C94 C99 H99 119.6 . .
N12 C100 N11 111.3(4) . .
N12 C100 H100 124.4 . .
N11 C100 H100 124.4 . .
C102 C101 N11 106.1(5) . .
C102 C101 H101 126.9 . .
N11 C101 H101 126.9 . .
C101 C102 N12 110.2(5) . .
C101 C102 H102 124.9 . .
N12 C102 H102 124.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O5 1.937(4) .
Co1 O24 1.953(4) 1_656
Co1 O1 1.975(3) .
Co1 N4 2.001(4) 3_776
Co2 O3 2.059(3) .
Co2 N1 2.074(4) .
Co2 O9 2.104(4) .
Co2 O2 2.124(3) .
Co2 O8 2.134(3) .
Co2 O7 2.181(4) .
Co2 C16 2.478(4) .
Co3 O10 1.935(3) .
Co3 O13 1.961(4) .
Co3 O4 1.981(4) .
Co3 N5 2.000(4) .
Co4 N12 2.076(4) 3_675
Co4 O15 2.086(3) .
Co4 O17 2.096(3) .
Co4 O14 2.114(3) .
Co4 O11 2.186(4) .
Co4 O12 2.188(4) .
Co4 C24 2.513(5) .
Co5 O18 1.933(4) .
Co5 O16 1.965(3) .
Co5 O21 1.982(4) .
Co5 N9 2.009(4) .
Co6 O1W 2.007(4) .
Co6 O23 2.057(3) .
Co6 O22 2.073(3) .
Co6 N8 2.088(4) 3_675
Co6 O20 2.164(4) .
Co6 O19 2.193(4) .
Co6 C40 2.500(5) .
N1 C49 1.326(6) .
N1 C50 1.374(7) .
N2 C49 1.345(7) .
N2 C51 1.394(7) .
N2 C52 1.440(6) .
N3 C64 1.356(6) .
N3 C65 1.382(7) .
N3 C61 1.439(6) .
N4 C64 1.314(6) .
N4 C66 1.359(6) .
N4 Co1 2.001(4) 3_776
N5 C67 1.315(6) .
N5 C68 1.374(6) .
N6 C67 1.346(6) .
N6 C69 1.379(6) .
N6 C70 1.435(6) .
N7 C82 1.356(6) .
N7 C83 1.386(6) .
N7 C79 1.425(6) .
N8 C82 1.310(6) .
N8 C84 1.380(6) .
N8 Co6 2.088(4) 3_675
N9 C85 1.323(6) .
N9 C86 1.381(7) .
N10 C85 1.338(6) .
N10 C87 1.389(6) .
N10 C88 1.428(6) .
N11 C100 1.356(6) .
N11 C101 1.375(6) .
N11 C97 1.435(6) .
N12 C100 1.320(6) .
N12 C102 1.383(6) .
N12 Co4 2.076(4) 3_675
O1 C7 1.276(5) .
O2 C7 1.248(5) .
O3 C8 1.244(6) .
O4 C8 1.253(6) .
O5 C15 1.261(7) .
O6 C15 1.249(7) .
O7 C16 1.249(5) .
O8 C16 1.263(5) .
O9 C23 1.246(6) .
O10 C23 1.258(6) .
O11 C24 1.260(6) .
O12 C24 1.253(5) .
O13 C31 1.268(6) .
O14 C31 1.245(5) .
O15 C32 1.240(6) .
O16 C32 1.258(5) .
O17 C39 1.247(6) .
O18 C39 1.270(6) .
O19 C40 1.261(6) .
O20 C40 1.254(6) .
O21 C47 1.264(5) .
O22 C47 1.252(5) .
O23 C48 1.246(6) .
O24 C48 1.253(6) .
O24 Co1 1.953(4) 1_454
C1 C6 1.394(7) .
C1 C2 1.400(7) .
C1 C7 1.500(7) .
C2 C3 1.359(8) .
C2 H2 0.9300 .
C3 C4 1.391(10) .
C3 H3 0.9300 .
C4 C5 1.383(8) .
C4 H4 0.9300 .
C5 C6 1.392(7) .
C5 H5 0.9300 .
C6 C8 1.516(6) .
C9 C10 1.381(7) .
C9 C14 1.398(7) .
C9 C15 1.498(7) .
C10 C11 1.413(10) .
C10 H10 0.9300 .
C11 C12 1.366(10) .
C11 H11 0.9300 .
C12 C13 1.363(8) .
C12 H12 0.9300 .
C13 C14 1.393(7) .
C13 H13 0.9300 .
C14 C16 1.505(6) .
C17 C18 1.381(7) .
C17 C22 1.399(6) .
C17 C23 1.506(7) .
C18 C19 1.399(9) .
C18 H18 0.9300 .
C19 C20 1.343(9) .
C19 H19 0.9300 .
C20 C21 1.370(8) .
C20 H20 0.9300 .
C21 C22 1.406(7) .
C21 H21 0.9300 .
C22 C24 1.505(7) .
C25 C26 1.384(6) .
C25 C30 1.398(6) .
C25 C31 1.518(7) .
C26 C27 1.391(8) .
C26 H26 0.9300 .
C27 C28 1.373(8) .
C27 H27 0.9300 .
C28 C29 1.373(7) .
C28 H28 0.9300 .
C29 C30 1.402(7) .
C29 H29 0.9300 .
C30 C32 1.513(6) .
C33 C38 1.392(6) .
C33 C34 1.400(7) .
C33 C39 1.493(6) .
C34 C35 1.385(8) .
C34 H34 0.9300 .
C35 C36 1.357(9) .
C35 H35 0.9300 .
C36 C37 1.373(8) .
C36 H36 0.9300 .
C37 C38 1.403(7) .
C37 H37 0.9300 .
C38 C40 1.502(6) .
C41 C46 1.406(6) .
C41 C42 1.410(7) .
C41 C47 1.514(7) .
C42 C43 1.364(8) .
C42 H42 0.9300 .
C43 C44 1.381(9) .
C43 H43 0.9300 .
C44 C45 1.387(8) .
C44 H44 0.9300 .
C45 C46 1.397(7) .
C45 H45 0.9300 .
C46 C48 1.513(6) .
C49 H49 0.9300 .
C50 C51 1.342(8) .
C50 H50 0.9300 .
C51 H51 0.9300 .
C52 C53 1.367(7) .
C52 C57 1.382(7) .
C53 C54 1.389(7) .
C53 H53 0.9300 .
C54 C55 1.398(7) .
C54 H54 0.9300 .
C55 C56 1.399(7) .
C55 C58 1.474(7) .
C56 C57 1.383(7) .
C56 H56 0.9300 .
C57 H57 0.9300 .
C58 C63 1.392(7) .
C58 C59 1.400(7) .
C59 C60 1.361(8) .
C59 H59 0.9300 .
C60 C61 1.373(7) .
C60 H60 0.9300 .
C61 C62 1.361(8) .
C62 C63 1.372(8) .
C62 H62 0.9300 .
C63 H63 0.9300 .
C64 H64 0.9300 .
C65 C66 1.349(8) .
C65 H65 0.9300 .
C66 H66 0.9300 .
C67 H67 0.9300 .
C68 C69 1.347(7) .
C68 H68 0.9300 .
C69 H69 0.9300 .
C70 C75 1.376(7) .
C70 C71 1.377(7) .
C71 C72 1.397(7) .
C71 H71 0.9300 .
C72 C73 1.398(7) .
C72 H72 0.9300 .
C73 C74 1.381(7) .
C73 C76 1.472(7) .
C74 C75 1.380(8) .
C74 H74 0.9300 .
C75 H75 0.9300 .
C76 C81 1.378(7) .
C76 C77 1.385(7) .
C77 C78 1.378(7) .
C77 H77 0.9300 .
C78 C79 1.365(7) .
C78 H78 0.9300 .
C79 C80 1.386(8) .
C80 C81 1.357(8) .
C80 H80 0.9300 .
C81 H81 0.9300 .
C82 H82 0.9300 .
C83 C84 1.344(7) .
C83 H83 0.9300 .
C84 H84 0.9300 .
C85 H85 0.9300 .
C86 C87 1.340(8) .
C86 H86 0.9300 .
C87 H87 0.9300 .
C88 C89 1.366(7) .
C88 C93 1.377(7) .
C89 C90 1.393(7) .
C89 H89 0.9300 .
C90 C91 1.377(7) .
C90 H90 0.9300 .
C91 C92 1.379(7) .
C91 C94 1.491(6) .
C92 C93 1.372(7) .
C92 H92 0.9300 .
C93 H93 0.9300 .
C94 C95 1.385(7) .
C94 C99 1.405(7) .
C95 C96 1.379(7) .
C95 H95 0.9300 .
C96 C97 1.371(6) .
C96 H96 0.9300 .
C97 C98 1.375(7) .
C98 C99 1.373(8) .
C98 H98 0.9300 .
C99 H99 0.9300 .
C100 H100 0.9300 .
C101 C102 1.349(7) .
C101 H101 0.9300 .
C102 H102 0.9300 .
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
O3 Co2 N1 C49 -124.8(4) .
O9 Co2 N1 C49 -25.8(4) .
O2 Co2 N1 C49 156.5(4) .
O8 Co2 N1 C49 67.5(4) .
O7 Co2 N1 C49 56.9(6) .
C16 Co2 N1 C49 63.2(4) .
O3 Co2 N1 C50 69.9(5) .
O9 Co2 N1 C50 168.9(5) .
O2 Co2 N1 C50 -8.8(5) .
O8 Co2 N1 C50 -97.8(5) .
O7 Co2 N1 C50 -108.4(5) .
C16 Co2 N1 C50 -102.1(5) .
O10 Co3 N5 C67 31.7(5) .
O13 Co3 N5 C67 -90.9(4) .
O4 Co3 N5 C67 169.0(4) .
O10 Co3 N5 C68 -149.8(4) .
O13 Co3 N5 C68 87.5(4) .
O4 Co3 N5 C68 -12.5(4) .
O18 Co5 N9 C85 35.8(4) .
O16 Co5 N9 C85 169.7(4) .
O21 Co5 N9 C85 -88.0(4) .
O18 Co5 N9 C86 -149.5(5) .
O16 Co5 N9 C86 -15.6(5) .
O21 Co5 N9 C86 86.7(5) .
O5 Co1 O1 C7 -77.1(4) .
O24 Co1 O1 C7 151.3(4) 1_656
N4 Co1 O1 C7 48.6(4) 3_776
O3 Co2 O2 C7 20.9(5) .
N1 Co2 O2 C7 131.3(5) .
O9 Co2 O2 C7 38(4) .
O8 Co2 O2 C7 -134.8(5) .
O7 Co2 O2 C7 -74.2(5) .
C16 Co2 O2 C7 -104.5(5) .
N1 Co2 O3 C8 -18.9(4) .
O9 Co2 O3 C8 -113.7(4) .
O2 Co2 O3 C8 65.7(3) .
O8 Co2 O3 C8 132.6(4) .
O7 Co2 O3 C8 160.4(3) .
C16 Co2 O3 C8 153.0(3) .
O10 Co3 O4 C8 -8.9(5) .
O13 Co3 O4 C8 115.2(4) .
N5 Co3 O4 C8 -130.5(4) .
O24 Co1 O5 C15 -77.8(4) 1_656
O1 Co1 O5 C15 169.5(4) .
N4 Co1 O5 C15 45.7(4) 3_776
O3 Co2 O7 C16 -168.0(3) .
N1 Co2 O7 C16 10.4(5) .
O9 Co2 O7 C16 94.5(3) .
O2 Co2 O7 C16 -87.6(3) .
O8 Co2 O7 C16 -1.8(2) .
O3 Co2 O8 C16 33.8(4) .
N1 Co2 O8 C16 -172.9(3) .
O9 Co2 O8 C16 -80.9(3) .
O2 Co2 O8 C16 98.8(3) .
O7 Co2 O8 C16 1.8(2) .
O3 Co2 O9 C23 17.1(6) .
N1 Co2 O9 C23 -93.2(6) .
O2 Co2 O9 C23 0(5) .
O8 Co2 O9 C23 172.9(6) .
O7 Co2 O9 C23 112.5(6) .
C16 Co2 O9 C23 142.6(6) .
O13 Co3 O10 C23 -167.8(4) .
O4 Co3 O10 C23 -50.4(6) .
N5 Co3 O10 C23 68.9(5) .
N12 Co4 O11 C24 3.1(5) 3_675
O15 Co4 O11 C24 -171.1(3) .
O17 Co4 O11 C24 95.2(3) .
O14 Co4 O11 C24 -90.1(3) .
O12 Co4 O11 C24 0.1(2) .
N12 Co4 O12 C24 -178.8(3) 3_675
O15 Co4 O12 C24 25.6(5) .
O17 Co4 O12 C24 -85.3(3) .
O14 Co4 O12 C24 92.8(3) .
O11 Co4 O12 C24 -0.1(2) .
O10 Co3 O13 C31 -78.7(4) .
O4 Co3 O13 C31 144.3(4) .
N5 Co3 O13 C31 40.7(4) .
N12 Co4 O14 C31 132.6(5) 3_675
O15 Co4 O14 C31 27.0(5) .
O17 Co4 O14 C31 25.1(19) .
O11 Co4 O14 C31 -74.2(5) .
O12 Co4 O14 C31 -134.2(5) .
C24 Co4 O14 C31 -104.3(5) .
N12 Co4 O15 C32 -22.0(3) 3_675
O17 Co4 O15 C32 -116.5(3) .
O14 Co4 O15 C32 63.6(3) .
O11 Co4 O15 C32 155.3(3) .
O12 Co4 O15 C32 132.7(4) .
C24 Co4 O15 C32 149.3(3) .
O18 Co5 O16 C32 -14.4(5) .
O21 Co5 O16 C32 110.4(4) .
N9 Co5 O16 C32 -134.1(4) .
N12 Co4 O17 C39 -73.4(6) 3_675
O15 Co4 O17 C39 32.0(6) .
O14 Co4 O17 C39 33.8(19) .
O11 Co4 O17 C39 133.4(6) .
O12 Co4 O17 C39 -166.9(6) .
C24 Co4 O17 C39 163.3(6) .
O16 Co5 O18 C39 -31.9(6) .
O21 Co5 O18 C39 -149.6(5) .
N9 Co5 O18 C39 86.3(6) .
O1W Co6 O19 C40 -87.7(3) .
O23 Co6 O19 C40 8.7(5) .
O22 Co6 O19 C40 92.0(3) .
N8 Co6 O19 C40 -179.0(3) 3_675
O20 Co6 O19 C40 -0.2(3) .
O1W Co6 O20 C40 93.9(3) .
O23 Co6 O20 C40 -176.3(3) .
O22 Co6 O20 C40 -92.1(3) .
N8 Co6 O20 C40 3.9(6) 3_675
O19 Co6 O20 C40 0.2(3) .
O18 Co5 O21 C47 -78.1(4) .
O16 Co5 O21 C47 147.4(4) .
N9 Co5 O21 C47 41.4(4) .
O1W Co6 O22 C47 46.9(18) .
O23 Co6 O22 C47 26.8(5) .
N8 Co6 O22 C47 129.5(5) 3_675
O20 Co6 O22 C47 -69.6(5) .
O19 Co6 O22 C47 -130.1(5) .
C40 Co6 O22 C47 -99.8(5) .
O1W Co6 O23 C48 -116.0(4) .
O22 Co6 O23 C48 61.7(4) .
N8 Co6 O23 C48 -25.2(4) 3_675
O20 Co6 O23 C48 154.8(4) .
O19 Co6 O23 C48 147.0(4) .
C40 Co6 O23 C48 152.5(3) .
C6 C1 C2 C3 1.1(8) .
C7 C1 C2 C3 178.2(5) .
C1 C2 C3 C4 0.5(10) .
C2 C3 C4 C5 -1.9(10) .
C3 C4 C5 C6 1.7(9) .
C4 C5 C6 C1 -0.2(8) .
C4 C5 C6 C8 178.5(5) .
C2 C1 C6 C5 -1.2(7) .
C7 C1 C6 C5 -178.0(5) .
C2 C1 C6 C8 -179.8(5) .
C7 C1 C6 C8 3.4(7) .
Co2 O2 C7 O1 122.6(5) .
Co2 O2 C7 C1 -62.3(7) .
Co1 O1 C7 O2 12.5(6) .
Co1 O1 C7 C1 -162.9(3) .
C6 C1 C7 O2 25.7(7) .
C2 C1 C7 O2 -151.1(5) .
C6 C1 C7 O1 -159.0(5) .
C2 C1 C7 O1 24.2(6) .
Co2 O3 C8 O4 80.4(6) .
Co2 O3 C8 C6 -101.2(4) .
Co3 O4 C8 O3 6.9(7) .
Co3 O4 C8 C6 -171.6(3) .
C5 C6 C8 O3 -139.7(5) .
C1 C6 C8 O3 38.9(7) .
C5 C6 C8 O4 38.8(6) .
C1 C6 C8 O4 -142.6(5) .
C14 C9 C10 C11 0.7(9) .
C15 C9 C10 C11 -179.7(6) .
C9 C10 C11 C12 0.4(11) .
C10 C11 C12 C13 -1.0(12) .
C11 C12 C13 C14 0.4(11) .
C12 C13 C14 C9 0.7(8) .
C12 C13 C14 C16 176.1(5) .
C10 C9 C14 C13 -1.3(8) .
C15 C9 C14 C13 179.1(5) .
C10 C9 C14 C16 -176.6(5) .
C15 C9 C14 C16 3.7(7) .
Co1 O5 C15 O6 17.7(8) .
Co1 O5 C15 C9 -158.5(3) .
C10 C9 C15 O6 42.4(8) .
C14 C9 C15 O6 -138.0(6) .
C10 C9 C15 O5 -141.1(6) .
C14 C9 C15 O5 38.5(7) .
Co2 O7 C16 O8 3.1(4) .
Co2 O7 C16 C14 -173.9(4) .
Co2 O8 C16 O7 -3.2(4) .
Co2 O8 C16 C14 173.9(4) .
C13 C14 C16 O7 71.8(6) .
C9 C14 C16 O7 -112.8(5) .
C13 C14 C16 O8 -105.3(5) .
C9 C14 C16 O8 70.0(6) .
C13 C14 C16 Co2 -45(3) .
C9 C14 C16 Co2 131(3) .
O3 Co2 C16 O7 14.7(3) .
N1 Co2 C16 O7 -174.6(3) .
O9 Co2 C16 O7 -83.7(3) .
O2 Co2 C16 O7 95.0(3) .
O8 Co2 C16 O7 176.9(4) .
O3 Co2 C16 O8 -162.2(2) .
N1 Co2 C16 O8 8.5(3) .
O9 Co2 C16 O8 99.4(3) .
O2 Co2 C16 O8 -81.9(3) .
O7 Co2 C16 O8 -176.9(4) .
O3 Co2 C16 C14 134(3) .
N1 Co2 C16 C14 -55(3) .
O9 Co2 C16 C14 36(3) .
O2 Co2 C16 C14 -146(3) .
O8 Co2 C16 C14 -64(3) .
O7 Co2 C16 C14 119(3) .
C22 C17 C18 C19 2.0(10) .
C23 C17 C18 C19 -179.9(6) .
C17 C18 C19 C20 -0.2(13) .
C18 C19 C20 C21 -0.9(13) .
C19 C20 C21 C22 0.2(11) .
C18 C17 C22 C21 -2.6(8) .
C23 C17 C22 C21 179.3(5) .
C18 C17 C22 C24 -179.2(5) .
C23 C17 C22 C24 2.6(8) .
C20 C21 C22 C17 1.5(8) .
C20 C21 C22 C24 178.4(5) .
Co2 O9 C23 O10 16.7(9) .
Co2 O9 C23 C17 -162.0(4) .
Co3 O10 C23 O9 21.2(8) .
Co3 O10 C23 C17 -160.1(4) .
C18 C17 C23 O9 20.4(8) .
C22 C17 C23 O9 -161.5(5) .
C18 C17 C23 O10 -158.5(5) .
C22 C17 C23 O10 19.7(7) .
Co4 O12 C24 O11 0.2(4) .
Co4 O12 C24 C22 174.1(4) .
Co4 O11 C24 O12 -0.2(4) .
Co4 O11 C24 C22 -174.1(4) .
C17 C22 C24 O12 83.8(6) .
C21 C22 C24 O12 -92.9(6) .
C17 C22 C24 O11 -102.3(6) .
C21 C22 C24 O11 81.1(6) .
C17 C22 C24 Co4 171(3) .
C21 C22 C24 Co4 -5(4) .
N12 Co4 C24 O12 1.4(3) 3_675
O15 Co4 C24 O12 -168.6(2) .
O17 Co4 C24 O12 95.6(3) .
O14 Co4 C24 O12 -88.5(3) .
O11 Co4 C24 O12 179.8(4) .
N12 Co4 C24 O11 -178.4(3) 3_675
O15 Co4 C24 O11 11.7(3) .
O17 Co4 C24 O11 -84.2(3) .
O14 Co4 C24 O11 91.7(3) .
O12 Co4 C24 O11 -179.8(4) .
N12 Co4 C24 C22 -89(4) 3_675
O15 Co4 C24 C22 101(4) .
O17 Co4 C24 C22 5(4) .
O14 Co4 C24 C22 -179(100) .
O11 Co4 C24 C22 89(4) .
O12 Co4 C24 C22 -91(4) .
C30 C25 C26 C27 1.2(8) .
C31 C25 C26 C27 176.1(5) .
C25 C26 C27 C28 -1.6(9) .
C26 C27 C28 C29 1.1(9) .
C27 C28 C29 C30 -0.3(9) .
C26 C25 C30 C29 -0.4(7) .
C31 C25 C30 C29 -174.9(4) .
C26 C25 C30 C32 -178.3(4) .
C31 C25 C30 C32 7.2(7) .
C28 C29 C30 C25 -0.1(8) .
C28 C29 C30 C32 178.0(5) .
Co4 O14 C31 O13 118.1(5) .
Co4 O14 C31 C25 -67.9(7) .
Co3 O13 C31 O14 16.9(6) .
Co3 O13 C31 C25 -157.5(3) .
C26 C25 C31 O14 -149.6(5) .
C30 C25 C31 O14 25.0(7) .
C26 C25 C31 O13 24.8(6) .
C30 C25 C31 O13 -160.6(4) .
Co4 O15 C32 O16 83.0(5) .
Co4 O15 C32 C30 -99.7(4) .
Co5 O16 C32 O15 6.2(7) .
Co5 O16 C32 C30 -171.3(3) .
C25 C30 C32 O15 36.5(7) .
C29 C30 C32 O15 -141.4(5) .
C25 C30 C32 O16 -145.9(5) .
C29 C30 C32 O16 36.2(6) .
C38 C33 C34 C35 0.4(9) .
C39 C33 C34 C35 179.0(5) .
C33 C34 C35 C36 0.3(11) .
C34 C35 C36 C37 -1.0(12) .
C35 C36 C37 C38 1.0(12) .
C34 C33 C38 C37 -0.3(8) .
C39 C33 C38 C37 -178.8(5) .
C34 C33 C38 C40 178.6(5) .
C39 C33 C38 C40 0.1(8) .
C36 C37 C38 C33 -0.4(10) .
C36 C37 C38 C40 -179.4(6) .
Co4 O17 C39 O18 6.7(9) .
Co4 O17 C39 C33 -172.1(4) .
Co5 O18 C39 O17 11.0(9) .
Co5 O18 C39 C33 -170.2(4) .
C38 C33 C39 O17 -169.9(5) .
C34 C33 C39 O17 11.6(7) .
C38 C33 C39 O18 11.2(7) .
C34 C33 C39 O18 -167.3(5) .
Co6 O20 C40 O19 -0.4(5) .
Co6 O20 C40 C38 -173.0(4) .
Co6 O19 C40 O20 0.4(5) .
Co6 O19 C40 C38 173.0(4) .
C33 C38 C40 O20 -100.4(6) .
C37 C38 C40 O20 78.5(6) .
C33 C38 C40 O19 86.8(6) .
C37 C38 C40 O19 -94.3(6) .
C33 C38 C40 Co6 179(100) .
C37 C38 C40 Co6 -2(4) .
O1W Co6 C40 O20 -86.2(3) .
O23 Co6 C40 O20 4.6(3) .
O22 Co6 C40 O20 90.1(3) .
N8 Co6 C40 O20 -178.3(3) 3_675
O19 Co6 C40 O20 -179.6(4) .
O1W Co6 C40 O19 93.4(3) .
O23 Co6 C40 O19 -175.7(2) .
O22 Co6 C40 O19 -90.3(3) .
N8 Co6 C40 O19 1.3(4) 3_675
O20 Co6 C40 O19 179.6(4) .
O1W Co6 C40 C38 -2(3) .
O23 Co6 C40 C38 89(3) .
O22 Co6 C40 C38 174(3) .
N8 Co6 C40 C38 -94(3) 3_675
O20 Co6 C40 C38 84(3) .
O19 Co6 C40 C38 -95(3) .
C46 C41 C42 C43 0.0(7) .
C47 C41 C42 C43 173.7(5) .
C41 C42 C43 C44 0.3(8) .
C42 C43 C44 C45 -0.2(8) .
C43 C44 C45 C46 -0.3(8) .
C44 C45 C46 C41 0.7(7) .
C44 C45 C46 C48 176.1(4) .
C42 C41 C46 C45 -0.5(7) .
C47 C41 C46 C45 -173.3(4) .
C42 C41 C46 C48 -175.5(4) .
C47 C41 C46 C48 11.7(7) .
Co6 O22 C47 O21 117.7(5) .
Co6 O22 C47 C41 -66.8(7) .
Co5 O21 C47 O22 14.9(6) .
Co5 O21 C47 C41 -160.9(3) .
C46 C41 C47 O22 25.9(7) .
C42 C41 C47 O22 -147.2(5) .
C46 C41 C47 O21 -158.4(5) .
C42 C41 C47 O21 28.6(6) .
Co6 O23 C48 O24 96.9(5) .
Co6 O23 C48 C46 -87.2(5) .
Co1 O24 C48 O23 10.2(10) 1_454
Co1 O24 C48 C46 -166.0(5) 1_454
C45 C46 C48 O23 -151.7(4) .
C41 C46 C48 O23 23.4(7) .
C45 C46 C48 O24 24.5(6) .
C41 C46 C48 O24 -160.3(4) .
C50 N1 C49 N2 0.5(6) .
Co2 N1 C49 N2 -168.1(3) .
C51 N2 C49 N1 -0.9(6) .
C52 N2 C49 N1 179.7(4) .
C49 N1 C50 C51 0.1(6) .
Co2 N1 C50 C51 167.2(4) .
N1 C50 C51 N2 -0.6(7) .
C49 N2 C51 C50 0.9(6) .
C52 N2 C51 C50 -179.7(5) .
C49 N2 C52 C53 -25.9(8) .
C51 N2 C52 C53 154.8(6) .
C49 N2 C52 C57 155.3(5) .
C51 N2 C52 C57 -24.0(8) .
C57 C52 C53 C54 -2.9(9) .
N2 C52 C53 C54 178.2(5) .
C52 C53 C54 C55 1.0(10) .
C53 C54 C55 C56 1.4(9) .
C53 C54 C55 C58 -180.0(6) .
C54 C55 C56 C57 -1.8(9) .
C58 C55 C56 C57 179.5(5) .
C53 C52 C57 C56 2.5(9) .
N2 C52 C57 C56 -178.6(5) .
C55 C56 C57 C52 -0.1(9) .
C54 C55 C58 C63 -173.0(6) .
C56 C55 C58 C63 5.6(8) .
C54 C55 C58 C59 9.0(8) .
C56 C55 C58 C59 -172.4(6) .
C63 C58 C59 C60 0.7(10) .
C55 C58 C59 C60 178.8(6) .
C58 C59 C60 C61 -0.1(10) .
C59 C60 C61 C62 -1.2(10) .
C59 C60 C61 N3 -178.1(6) .
C64 N3 C61 C62 21.3(8) .
C65 N3 C61 C62 -156.1(6) .
C64 N3 C61 C60 -161.7(6) .
C65 N3 C61 C60 20.9(8) .
C60 C61 C62 C63 1.8(11) .
N3 C61 C62 C63 178.8(6) .
C61 C62 C63 C58 -1.2(12) .
C59 C58 C63 C62 0.0(11) .
C55 C58 C63 C62 -178.2(7) .
C66 N4 C64 N3 -0.8(6) .
Co1 N4 C64 N3 -174.6(3) 3_776
C65 N3 C64 N4 0.7(6) .
C61 N3 C64 N4 -177.2(4) .
C64 N3 C65 C66 -0.3(6) .
C61 N3 C65 C66 177.6(5) .
N3 C65 C66 N4 -0.2(7) .
C64 N4 C66 C65 0.6(7) .
Co1 N4 C66 C65 174.9(4) 3_776
C68 N5 C67 N6 0.1(6) .
Co3 N5 C67 N6 178.8(3) .
C69 N6 C67 N5 -0.4(6) .
C70 N6 C67 N5 178.5(4) .
C67 N5 C68 C69 0.2(6) .
Co3 N5 C68 C69 -178.5(4) .
N5 C68 C69 N6 -0.4(6) .
C67 N6 C69 C68 0.5(6) .
C70 N6 C69 C68 -178.4(5) .
C67 N6 C70 C75 160.7(5) .
C69 N6 C70 C75 -20.6(8) .
C67 N6 C70 C71 -20.7(8) .
C69 N6 C70 C71 158.0(6) .
C75 C70 C71 C72 -0.7(9) .
N6 C70 C71 C72 -179.3(5) .
C70 C71 C72 C73 -0.1(10) .
C71 C72 C73 C74 0.5(9) .
C71 C72 C73 C76 179.7(5) .
C72 C73 C74 C75 -0.3(9) .
C76 C73 C74 C75 -179.4(6) .
C71 C70 C75 C74 0.9(9) .
N6 C70 C75 C74 179.6(6) .
C73 C74 C75 C70 -0.5(10) .
C74 C73 C76 C81 -14.7(9) .
C72 C73 C76 C81 166.2(6) .
C74 C73 C76 C77 168.4(6) .
C72 C73 C76 C77 -10.7(8) .
C81 C76 C77 C78 2.2(9) .
C73 C76 C77 C78 179.2(5) .
C76 C77 C78 C79 0.1(10) .
C77 C78 C79 C80 -0.2(10) .
C77 C78 C79 N7 -180.0(5) .
C82 N7 C79 C78 -169.2(5) .
C83 N7 C79 C78 13.8(9) .
C82 N7 C79 C80 11.0(9) .
C83 N7 C79 C80 -166.0(7) .
C78 C79 C80 C81 -2.1(12) .
N7 C79 C80 C81 177.7(7) .
C79 C80 C81 C76 4.6(14) .
C77 C76 C81 C80 -4.4(11) .
C73 C76 C81 C80 178.4(7) .
C84 N8 C82 N7 -0.6(6) .
Co6 N8 C82 N7 169.9(3) 3_675
C83 N7 C82 N8 0.2(6) .
C79 N7 C82 N8 -177.3(5) .
C82 N7 C83 C84 0.2(6) .
C79 N7 C83 C84 177.7(5) .
N7 C83 C84 N8 -0.6(6) .
C82 N8 C84 C83 0.7(6) .
Co6 N8 C84 C83 -169.0(4) 3_675
C86 N9 C85 N10 -0.5(6) .
Co5 N9 C85 N10 175.4(3) .
C87 N10 C85 N9 1.0(6) .
C88 N10 C85 N9 179.5(4) .
C85 N9 C86 C87 -0.2(7) .
Co5 N9 C86 C87 -175.7(4) .
N9 C86 C87 N10 0.8(7) .
C85 N10 C87 C86 -1.0(6) .
C88 N10 C87 C86 -179.6(5) .
C85 N10 C88 C89 -17.4(8) .
C87 N10 C88 C89 160.9(6) .
C85 N10 C88 C93 163.2(5) .
C87 N10 C88 C93 -18.6(8) .
C93 C88 C89 C90 0.1(9) .
N10 C88 C89 C90 -179.3(6) .
C88 C89 C90 C91 1.1(10) .
C89 C90 C91 C92 -1.7(9) .
C89 C90 C91 C94 177.9(6) .
C90 C91 C92 C93 1.1(9) .
C94 C91 C92 C93 -178.5(5) .
C91 C92 C93 C88 0.0(9) .
C89 C88 C93 C92 -0.7(9) .
N10 C88 C93 C92 178.8(5) .
C90 C91 C94 C95 -4.1(8) .
C92 C91 C94 C95 175.5(5) .
C90 C91 C94 C99 174.2(6) .
C92 C91 C94 C99 -6.2(8) .
C99 C94 C95 C96 3.5(9) .
C91 C94 C95 C96 -178.1(5) .
C94 C95 C96 C97 -1.5(9) .
C95 C96 C97 C98 -2.2(9) .
C95 C96 C97 N11 178.8(5) .
C100 N11 C97 C96 -161.1(5) .
C101 N11 C97 C96 19.3(8) .
C100 N11 C97 C98 19.8(8) .
C101 N11 C97 C98 -159.7(6) .
C96 C97 C98 C99 3.6(11) .
N11 C97 C98 C99 -177.3(7) .
C97 C98 C99 C94 -1.5(13) .
C95 C94 C99 C98 -2.0(11) .
C91 C94 C99 C98 179.5(7) .
C102 N12 C100 N11 0.1(6) .
Co4 N12 C100 N11 172.4(3) 3_675
C101 N11 C100 N12 0.0(6) .
C97 N11 C100 N12 -179.6(4) .
C100 N11 C101 C102 -0.1(6) .
C97 N11 C101 C102 179.5(5) .
N11 C101 C102 N12 0.1(6) .
C100 N12 C102 C101 -0.2(6) .
Co4 N12 C102 C101 -171.2(4) 3_675
