#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:43:04 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180401 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/70/7207079.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_7207079
loop_
_publ_author_name
'Qu, Ling-Ling'
'Zhu, You-Long'
'Zhang, Jun'
'Li, Yi-Zhi'
'Du, Hong-Bin'
'You, Xiao-Zeng'
_publ_section_title
;
 Structural diversity and properties of coordination polymers built from a
 semi-rigid tetradentenate carboxylic acid
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              824
_journal_paper_doi               10.1039/c1ce05931a
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C72 H64 Co2 O37'
_chemical_formula_weight         1639.09
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.194(5)
_cell_angle_beta                 100.816(5)
_cell_angle_gamma                112.086(5)
_cell_formula_units_Z            1
_cell_length_a                   8.718(3)
_cell_length_b                   10.699(4)
_cell_length_c                   21.624(8)
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      1.94
_cell_volume                     1818.0(11)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker Smart Apex CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0536
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            9981
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    0.555
_exptl_absorpt_correction_T_max  0.8876
_exptl_absorpt_correction_T_min  0.8601
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             846
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.586
_refine_diff_density_min         -0.591
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         7003
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0841
_refine_ls_R_factor_gt           0.0609
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0594P)²+1.4434P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1343
_refine_ls_wR_factor_ref         0.1402
_reflns_number_gt                5074
_reflns_number_total             7003
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05931a.txt
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      p_-1
_cod_database_code               7207079
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.2052(5) 0.3619(4) 0.15060(16) 0.0401(8) Uani 1 1 d .
C2 C 0.1785(4) 0.4689(3) 0.18870(15) 0.0325(7) Uani 1 1 d .
C3 C 0.1037(5) 0.5449(3) 0.15561(16) 0.0388(8) Uani 1 1 d .
H3 H 0.0767 0.5317 0.1114 0.047 Uiso 1 1 calc R
C4 C 0.0685(4) 0.6437(3) 0.19007(15) 0.0346(7) Uani 1 1 d .
C5 C 0.1100(5) 0.6625(4) 0.25654(16) 0.0410(8) Uani 1 1 d .
H5 H 0.0852 0.7256 0.2796 0.049 Uiso 1 1 calc R
C6 C 0.1891(5) 0.5847(4) 0.28742(17) 0.0439(9) Uani 1 1 d .
C7 C 0.2216(5) 0.4859(4) 0.25451(18) 0.0468(9) Uani 1 1 d .
H7 H 0.2708 0.4325 0.2760 0.056 Uiso 1 1 calc R
C8 C -0.0083(5) 0.7266(3) 0.15382(16) 0.0400(8) Uani 1 1 d .
C9 C 0.3327(5) 0.5521(4) 0.38753(17) 0.0455(9) Uani 1 1 d .
H9A H 0.4300 0.5627 0.3695 0.055 Uiso 1 1 calc R
H9B H 0.2667 0.4556 0.3861 0.055 Uiso 1 1 calc R
C10 C 0.3908(3) 0.6228(2) 0.45542(7) 0.0433(8) Uani 1 1 d G
C11 C 0.5079(3) 0.7572(2) 0.46931(8) 0.0501(10) Uani 1 1 d G
H11 H 0.5481 0.8039 0.4369 0.060 Uiso 1 1 calc R
C12 C 0.5649(3) 0.82177(17) 0.53173(10) 0.0452(9) Uani 1 1 d G
H12 H 0.6432 0.9117 0.5410 0.054 Uiso 1 1 calc R
C13 C 0.5047(3) 0.7520(2) 0.58024(7) 0.0413(8) Uani 1 1 d G
C14 C 0.3876(3) 0.6176(2) 0.56635(9) 0.0410(8) Uani 1 1 d G
H14 H 0.3474 0.5710 0.5988 0.049 Uiso 1 1 calc R
C15 C 0.3306(3) 0.55306(17) 0.50393(10) 0.0431(8) Uani 1 1 d G
H15 H 0.2523 0.4632 0.4946 0.052 Uiso 1 1 calc R
C16 C 0.5672(5) 0.8195(4) 0.64804(16) 0.0440(9) Uani 1 1 d .
H16A H 0.5192 0.7557 0.6763 0.053 Uiso 1 1 calc R
H16B H 0.6901 0.8533 0.6605 0.053 Uiso 1 1 calc R
C17 C 0.5320(5) 0.9974(4) 0.70879(17) 0.0456(9) Uani 1 1 d .
C18 C 0.4701(5) 1.0996(3) 0.70786(16) 0.0404(8) Uani 1 1 d .
H18 H 0.4254 1.1215 0.6695 0.049 Uiso 1 1 calc R
C19 C 0.4762(5) 1.1681(3) 0.76502(15) 0.0385(8) Uani 1 1 d .
C20 C 0.5463(4) 1.1389(3) 0.82329(16) 0.0344(7) Uani 1 1 d .
H20 H 0.5511 1.1867 0.8614 0.041 Uiso 1 1 calc R
C21 C 0.6086(4) 1.0370(3) 0.82297(15) 0.0352(7) Uani 1 1 d .
C22 C 0.6064(5) 0.9672(4) 0.76581(17) 0.0463(9) Uani 1 1 d .
H22 H 0.6534 0.9023 0.7659 0.056 Uiso 1 1 calc R
C23 C 0.4153(5) 1.2808(4) 0.76479(17) 0.0412(8) Uani 1 1 d .
C24 C 0.6807(5) 1.0037(4) 0.88444(17) 0.0404(8) Uani 1 1 d .
C25 C 0.8324(5) 1.0675(4) 1.12028(16) 0.0407(8) Uani 1 1 d .
C26 C 0.8411(5) 1.1436(4) 1.18323(18) 0.0447(9) Uani 1 1 d .
C27 C 0.7753(5) 1.2441(3) 1.18139(16) 0.0396(8) Uani 1 1 d .
H27 H 0.7281 1.2639 1.1429 0.047 Uiso 1 1 calc R
C28 C 0.7820(5) 1.3134(3) 1.23838(15) 0.0366(8) Uani 1 1 d .
C29 C 0.8456(5) 1.2813(4) 1.29743(16) 0.0418(8) Uani 1 1 d .
H29 H 0.8475 1.3268 1.3357 0.050 Uiso 1 1 calc R
C30 C 0.9058(5) 1.1777(4) 1.29556(16) 0.0464(9) Uani 1 1 d .
C31 C 0.9032(5) 1.1091(4) 1.23957(17) 0.0459(9) Uani 1 1 d .
H31 H 0.9432 1.0398 1.2400 0.055 Uiso 1 1 calc R
C32 C 0.7199(4) 1.4249(3) 1.23772(16) 0.0372(8) Uani 1 1 d .
C33 C 0.9278(5) 1.1669(4) 1.40769(17) 0.0443(9) Uani 1 1 d .
H33A H 0.8085 1.1518 1.4002 0.053 Uiso 1 1 calc R
H33B H 0.9949 1.2620 1.4245 0.053 Uiso 1 1 calc R
C34 C 0.9658(5) 1.0777(4) 1.45432(17) 0.0468(9) Uani 1 1 d .
C35 C 0.9548(5) 0.9509(4) 1.43501(17) 0.0424(8) Uani 1 1 d .
H35 H 0.9300 0.9186 1.3920 0.051 Uiso 1 1 calc R
C36 C 0.9812(5) 0.8706(4) 1.48055(18) 0.0461(9) Uani 1 1 d .
H36 H 0.9635 0.7808 1.4678 0.055 Uiso 1 1 calc R
Co1 Co 0.79349(7) 0.98210(5) 1.00042(2) 0.04012(15) Uani 1 1 d .
O1 O 0.2675(3) 0.2868(2) 0.18395(10) 0.0393(5) Uani 1 1 d .
H1A H 0.1971 0.1924 0.1692 0.059 Uiso 1 1 d R
O2 O 0.1711(3) 0.3462(3) 0.09307(11) 0.0437(6) Uani 1 1 d .
O3 O -0.0486(3) 0.7087(3) 0.09647(11) 0.0445(6) Uani 1 1 d .
O4 O -0.0337(3) 0.8171(2) 0.18935(11) 0.0438(6) Uani 1 1 d .
H4C H -0.1411 0.8203 0.1710 0.066 Uiso 1 1 d R
O5 O 0.2303(3) 0.6144(3) 0.35234(12) 0.0462(6) Uani 1 1 d .
O6 O 0.5127(3) 0.9287(3) 0.65050(12) 0.0442(6) Uani 1 1 d .
O7 O 0.3470(3) 1.3015(3) 0.71021(11) 0.0447(6) Uani 1 1 d .
O8 O 0.4317(3) 1.3449(3) 0.81739(12) 0.0492(6) Uani 1 1 d .
H8A H 0.4077 1.4239 0.8097 0.074 Uiso 1 1 d R
O9 O 0.7001(3) 1.0793(3) 0.93414(11) 0.0418(6) Uani 1 1 d .
O10 O 0.7271(3) 0.9074(3) 0.88765(11) 0.0413(6) Uani 1 1 d .
O11 O 0.7924(3) 1.1130(2) 1.07085(11) 0.0418(6) Uani 1 1 d .
O12 O 0.8662(3) 0.9651(3) 1.11869(12) 0.0477(6) Uani 1 1 d .
O13 O 0.6726(3) 1.4557(3) 1.18427(11) 0.0424(6) Uani 1 1 d .
O14 O 0.7210(3) 1.4820(3) 1.29119(11) 0.0443(6) Uani 1 1 d .
H14C H 0.6381 1.5217 1.2844 0.066 Uiso 1 1 d R
O15 O 0.9676(3) 1.1345(2) 1.35093(10) 0.0381(5) Uani 1 1 d .
O1W O 0.9393(3) 0.8645(2) 1.00183(10) 0.0405(6) Uani 1 1 d .
H1X H 0.9551 0.8397 1.0383 0.049 Uiso 1 1 d R
H1Y H 0.8873 0.7945 0.9739 0.049 Uiso 1 1 d R
O2W O 0.5238(3) 0.7926(3) 1.00003(12) 0.0439(6) Uani 1 1 d .
H2X H 0.5373 0.8247 0.9654 0.053 Uiso 1 1 d R
H2Y H 0.5169 0.8364 1.0327 0.053 Uiso 1 1 d R
O3W O 0.5313(7) 0.5495(5) 1.0007(3) 0.0537(14) Uani 0.50 1 d P
H3X H 0.5493 0.5886 0.9681 0.064 Uiso 0.50 1 d PR
H3Y H 0.5485 0.6056 1.0332 0.064 Uiso 0.50 1 d PR
O4W O 0.0008(4) 0.4597(2) 0.00084(15) 0.0496(7) Uani 1 1 d .
H4X H 0.1016 0.4677 0.0007 0.060 Uiso 1 1 d R
H4Y H -0.0451 0.3940 0.0206 0.060 Uiso 1 1 d 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'
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
O2 C1 O1 123.0(3) . .
O2 C1 C2 122.1(3) . .
O1 C1 C2 114.9(3) . .
C3 C2 C7 122.4(3) . .
C3 C2 C1 116.8(3) . .
C7 C2 C1 120.7(3) . .
C2 C3 C4 118.8(3) . .
C2 C3 H3 120.6 . .
C4 C3 H3 120.6 . .
C5 C4 C3 120.0(3) . .
C5 C4 C8 121.8(3) . .
C3 C4 C8 118.1(3) . .
C6 C5 C4 118.6(3) . .
C6 C5 H5 120.7 . .
C4 C5 H5 120.7 . .
O5 C6 C7 123.8(3) . .
O5 C6 C5 114.1(3) . .
C7 C6 C5 122.1(3) . .
C2 C7 C6 118.1(4) . .
C2 C7 H7 121.0 . .
C6 C7 H7 121.0 . .
O3 C8 O4 123.5(3) . .
O3 C8 C4 122.3(3) . .
O4 C8 C4 114.1(3) . .
O5 C9 C10 107.1(3) . .
O5 C9 H9A 110.3 . .
C10 C9 H9A 110.3 . .
O5 C9 H9B 110.3 . .
C10 C9 H9B 110.3 . .
H9A C9 H9B 108.5 . .
C11 C10 C15 120.0 . .
C11 C10 C9 119.7(2) . .
C15 C10 C9 120.3(2) . .
C10 C11 C12 120.0 . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C13 C12 C11 120.0 . .
C13 C12 H12 120.0 . .
C11 C12 H12 120.0 . .
C12 C13 C14 120.0 . .
C12 C13 C16 120.7(2) . .
C14 C13 C16 119.3(2) . .
C13 C14 C15 120.0 . .
C13 C14 H14 120.0 . .
C15 C14 H14 120.0 . .
C14 C15 C10 120.0 . .
C14 C15 H15 120.0 . .
C10 C15 H15 120.0 . .
O6 C16 C13 105.8(3) . .
O6 C16 H16A 110.6 . .
C13 C16 H16A 110.6 . .
O6 C16 H16B 110.6 . .
C13 C16 H16B 110.6 . .
H16A C16 H16B 108.7 . .
O6 C17 C18 115.5(3) . .
O6 C17 C22 123.2(4) . .
C18 C17 C22 121.4(3) . .
C19 C18 C17 118.8(3) . .
C19 C18 H18 120.6 . .
C17 C18 H18 120.6 . .
C18 C19 C20 121.6(3) . .
C18 C19 C23 119.4(3) . .
C20 C19 C23 118.9(3) . .
C21 C20 C19 118.5(3) . .
C21 C20 H20 120.8 . .
C19 C20 H20 120.8 . .
C20 C21 C22 121.2(3) . .
C20 C21 C24 118.9(3) . .
C22 C21 C24 119.9(3) . .
C17 C22 C21 118.5(4) . .
C17 C22 H22 120.8 . .
C21 C22 H22 120.8 . .
O8 C23 O7 125.9(3) . .
O8 C23 C19 117.3(3) . .
O7 C23 C19 116.8(3) . .
O10 C24 O9 119.8(3) . .
O10 C24 C21 122.2(3) . .
O9 C24 C21 118.0(3) . .
O12 C25 O11 121.5(3) . .
O12 C25 C26 120.9(3) . .
O11 C25 C26 117.6(3) . .
C31 C26 C27 121.4(4) . .
C31 C26 C25 120.7(4) . .
C27 C26 C25 117.8(3) . .
C28 C27 C26 118.2(3) . .
C28 C27 H27 120.9 . .
C26 C27 H27 120.9 . .
C27 C28 C29 122.1(3) . .
C27 C28 C32 119.3(3) . .
C29 C28 C32 118.6(3) . .
C30 C29 C28 116.5(3) . .
C30 C29 H29 121.8 . .
C28 C29 H29 121.8 . .
C31 C30 C29 122.5(3) . .
C31 C30 O15 115.8(4) . .
C29 C30 O15 121.7(3) . .
C26 C31 C30 119.2(4) . .
C26 C31 H31 120.4 . .
C30 C31 H31 120.4 . .
O13 C32 O14 125.7(3) . .
O13 C32 C28 116.9(3) . .
O14 C32 C28 117.4(3) . .
O15 C33 C34 108.3(3) . .
O15 C33 H33A 110.0 . .
C34 C33 H33A 110.0 . .
O15 C33 H33B 110.0 . .
C34 C33 H33B 110.0 . .
H33A C33 H33B 108.4 . .
C35 C34 C36 119.7(4) . 2_778
C35 C34 C33 121.8(3) . .
C36 C34 C33 118.6(4) 2_778 .
C34 C35 C36 118.9(3) . .
C34 C35 H35 120.6 . .
C36 C35 H35 120.6 . .
C35 C36 C34 121.2(4) . 2_778
C35 C36 H36 119.4 . .
C34 C36 H36 119.4 2_778 .
O11 Co1 O9 90.47(11) . .
O11 Co1 O1W 129.06(10) . .
O9 Co1 O1W 135.02(10) . .
O11 Co1 O1W 87.77(10) . 2_777
O9 Co1 O1W 87.26(10) . 2_777
O1W Co1 O1W 75.55(11) . 2_777
C1 O1 H1A 109.2 . .
C8 O4 H4C 109.4 . .
C6 O5 C9 117.6(3) . .
C17 O6 C16 118.5(3) . .
C23 O8 H8A 108.0 . .
C24 O9 Co1 100.0(2) . .
C25 O11 Co1 104.3(2) . .
C32 O14 H14C 108.2 . .
C30 O15 C33 119.3(3) . .
Co1 O1W Co1 104.45(10) . 2_777
Co1 O1W H1X 109.4 . .
Co1 O1W H1X 102.5 2_777 .
Co1 O1W H1Y 109.5 . .
Co1 O1W H1Y 121.0 2_777 .
H1X O1W H1Y 109.5 . .
H2X O2W H2Y 124.1 . .
O3W O3W H3X 124.1 2_667 .
O3W O3W H3Y 121.8 2_667 .
H3X O3W H3Y 112.2 . .
O4W O4W H4X 107.0 2_565 .
O4W O4W H4Y 133.9 2_565 .
H4X O4W H4Y 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.210(4) .
C1 O1 1.306(4) .
C1 C2 1.487(5) .
C2 C3 1.373(5) .
C2 C7 1.385(5) .
C3 C4 1.418(5) .
C3 H3 0.9300 .
C4 C5 1.398(5) .
C4 C8 1.475(5) .
C5 C6 1.391(5) .
C5 H5 0.9300 .
C6 O5 1.370(4) .
C6 C7 1.386(6) .
C7 H7 0.9300 .
C8 O3 1.207(4) .
C8 O4 1.311(4) .
C9 O5 1.438(4) .
C9 C10 1.514(4) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.3900 .
C10 C15 1.3900 .
C11 C12 1.3900 .
C11 H11 0.9300 .
C12 C13 1.3900 .
C12 H12 0.9300 .
C13 C14 1.3900 .
C13 C16 1.501(3) .
C14 C15 1.3900 .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 O6 1.419(5) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 O6 1.372(4) .
C17 C18 1.389(5) .
C17 C22 1.395(5) .
C18 C19 1.383(5) .
C18 H18 0.9300 .
C19 C20 1.399(5) .
C19 C23 1.488(5) .
C20 C21 1.390(5) .
C20 H20 0.9300 .
C21 C22 1.401(5) .
C21 C24 1.482(5) .
C22 H22 0.9300 .
C23 O8 1.250(4) .
C23 O7 1.289(4) .
C24 O10 1.241(4) .
C24 O9 1.253(4) .
C25 O12 1.238(4) .
C25 O11 1.243(4) .
C25 C26 1.521(5) .
C26 C31 1.366(5) .
C26 C27 1.395(5) .
C27 C28 1.382(5) .
C27 H27 0.9300 .
C28 C29 1.408(5) .
C28 C32 1.484(5) .
C29 C30 1.394(6) .
C29 H29 0.9300 .
C30 C31 1.373(5) .
C30 O15 1.395(4) .
C31 H31 0.9300 .
C32 O13 1.257(4) .
C32 O14 1.274(4) .
C33 O15 1.396(4) .
C33 C34 1.502(5) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C35 1.359(6) .
C34 C36 1.407(5) 2_778
C35 C36 1.386(5) .
C35 H35 0.9300 .
C36 C34 1.407(5) 2_778
C36 H36 0.9300 .
Co1 O11 2.014(3) .
Co1 O9 2.040(2) .
Co1 O1W 2.096(3) .
Co1 O1W 2.302(3) 2_777
O1 H1A 0.9600 .
O4 H4C 0.9600 .
O8 H8A 0.9600 .
O14 H14C 0.9600 .
O1W Co1 2.302(3) 2_777
O1W H1X 0.8500 .
O1W H1Y 0.8500 .
O2W H2X 0.8501 .
O2W H2Y 0.8501 .
O3W O3W 0.987(10) 2_667
O3W H3X 0.8499 .
O3W H3Y 0.8500 .
O4W O4W 0.871(5) 2_565
O4W H4X 0.8500 .
O4W H4Y 0.8501 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O2 C1 C2 C3 3.6(5) . .
O1 C1 C2 C3 -176.2(3) . .
O2 C1 C2 C7 -178.9(3) . .
O1 C1 C2 C7 1.3(5) . .
C7 C2 C3 C4 -0.4(5) . .
C1 C2 C3 C4 177.1(3) . .
C2 C3 C4 C5 0.1(5) . .
C2 C3 C4 C8 178.6(3) . .
C3 C4 C5 C6 1.4(5) . .
C8 C4 C5 C6 -177.1(3) . .
C4 C5 C6 O5 177.6(3) . .
C4 C5 C6 C7 -2.7(6) . .
C3 C2 C7 C6 -0.8(5) . .
C1 C2 C7 C6 -178.2(3) . .
O5 C6 C7 C2 -177.9(3) . .
C5 C6 C7 C2 2.4(6) . .
C5 C4 C8 O3 -178.0(3) . .
C3 C4 C8 O3 3.5(5) . .
C5 C4 C8 O4 -0.3(5) . .
C3 C4 C8 O4 -178.8(3) . .
O5 C9 C10 C11 -69.5(3) . .
O5 C9 C10 C15 112.1(3) . .
C15 C10 C11 C12 0.0 . .
C9 C10 C11 C12 -178.5(3) . .
C10 C11 C12 C13 0.0 . .
C11 C12 C13 C14 0.0 . .
C11 C12 C13 C16 179.0(3) . .
C12 C13 C14 C15 0.0 . .
C16 C13 C14 C15 -179.0(3) . .
C13 C14 C15 C10 0.0 . .
C11 C10 C15 C14 0.0 . .
C9 C10 C15 C14 178.5(3) . .
C12 C13 C16 O6 64.1(3) . .
C14 C13 C16 O6 -116.9(3) . .
O6 C17 C18 C19 176.3(3) . .
C22 C17 C18 C19 -2.9(6) . .
C17 C18 C19 C20 1.4(5) . .
C17 C18 C19 C23 178.1(3) . .
C18 C19 C20 C21 -0.9(5) . .
C23 C19 C20 C21 -177.6(3) . .
C19 C20 C21 C22 1.8(5) . .
C19 C20 C21 C24 -179.0(3) . .
O6 C17 C22 C21 -175.4(3) . .
C18 C17 C22 C21 3.7(6) . .
C20 C21 C22 C17 -3.2(6) . .
C24 C21 C22 C17 177.7(3) . .
C18 C19 C23 O8 -176.1(3) . .
C20 C19 C23 O8 0.6(5) . .
C18 C19 C23 O7 5.2(5) . .
C20 C19 C23 O7 -178.0(3) . .
C20 C21 C24 O10 174.7(3) . .
C22 C21 C24 O10 -6.2(5) . .
C20 C21 C24 O9 -7.9(5) . .
C22 C21 C24 O9 171.2(3) . .
O12 C25 C26 C31 6.8(6) . .
O11 C25 C26 C31 -172.3(4) . .
O12 C25 C26 C27 -169.8(3) . .
O11 C25 C26 C27 11.1(5) . .
C31 C26 C27 C28 3.2(6) . .
C25 C26 C27 C28 179.7(3) . .
C26 C27 C28 C29 -2.9(5) . .
C26 C27 C28 C32 177.3(3) . .
C27 C28 C29 C30 1.5(5) . .
C32 C28 C29 C30 -178.7(3) . .
C28 C29 C30 C31 -0.4(6) . .
C28 C29 C30 O15 -178.3(3) . .
C27 C26 C31 C30 -2.1(6) . .
C25 C26 C31 C30 -178.5(4) . .
C29 C30 C31 C26 0.7(6) . .
O15 C30 C31 C26 178.7(3) . .
C27 C28 C32 O13 -3.9(5) . .
C29 C28 C32 O13 176.3(3) . .
C27 C28 C32 O14 176.8(3) . .
C29 C28 C32 O14 -3.0(5) . .
O15 C33 C34 C35 -29.6(5) . .
O15 C33 C34 C36 148.5(3) . 2_778
C36 C34 C35 C36 5.9(6) 2_778 .
C33 C34 C35 C36 -176.0(4) . .
C34 C35 C36 C34 -6.0(7) . 2_778
C7 C6 O5 C9 8.6(5) . .
C5 C6 O5 C9 -171.8(3) . .
C10 C9 O5 C6 168.2(3) . .
C18 C17 O6 C16 -177.6(3) . .
C22 C17 O6 C16 1.5(5) . .
C13 C16 O6 C17 171.2(3) . .
O10 C24 O9 Co1 -4.0(4) . .
C21 C24 O9 Co1 178.5(3) . .
O11 Co1 O9 C24 -175.9(2) . .
O1W Co1 O9 C24 30.1(3) . .
O1W Co1 O9 C24 96.4(2) 2_777 .
O12 C25 O11 Co1 1.7(4) . .
C26 C25 O11 Co1 -179.2(3) . .
O9 Co1 O11 C25 174.1(2) . .
O1W Co1 O11 C25 -29.3(3) . .
O1W Co1 O11 C25 -98.7(2) 2_777 .
C31 C30 O15 C33 -160.4(3) . .
C29 C30 O15 C33 17.6(5) . .
C34 C33 O15 C30 164.3(3) . .
O11 Co1 O1W Co1 -74.89(14) . 2_777
O9 Co1 O1W Co1 70.88(15) . 2_777
O1W Co1 O1W Co1 0.0 2_777 2_777
