#------------------------------------------------------------------------------
#$Date: 2019-11-07 22:48:48 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223865 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/01/7700154.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_7700154
loop_
_publ_author_name
'Yang, Dong-Dong'
'Lu, Li-Ping'
'Zhu, Miao-Li'
_publ_section_title
;
 Structural diversity, magnetic property, or luminescence sensing of
 Co(ii) and Cd(ii) coordination polymers derived from designed
 3,3'-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoic acid.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10220
_journal_page_last               10234
_journal_paper_doi               10.1039/c9dt01736d
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C72 H50 Co3 N6 O18 [+ solvent = 4(H2 O)]'
_chemical_formula_sum            'C72 H58 Co3 N6 O22'
_chemical_formula_weight         1536.03
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-04-22 deposited with the CCDC.    2019-06-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.296(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.7356(15)
_cell_length_b                   19.4143(17)
_cell_length_c                   9.8774(8)
_cell_measurement_reflns_used    9074
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.93
_cell_measurement_theta_min      2.31
_cell_volume                     3401.0(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0830
_diffrn_reflns_av_unetI/netI     0.0621
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            43189
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.100
_diffrn_reflns_theta_max         25.100
_diffrn_reflns_theta_min         2.392
_exptl_absorpt_coefficient_mu    0.807
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_correction_T_min  0.892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_description       block
_exptl_crystal_F_000             1578
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.383
_refine_diff_density_min         -0.334
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     448
_refine_ls_number_reflns         6043
_refine_ls_number_restraints     303
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0999
_refine_ls_R_factor_gt           0.0486
_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)+(0.0508P)²+1.9139P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0990
_refine_ls_wR_factor_ref         0.1174
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3873
_reflns_number_total             6043
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt01736d2.cif
_cod_data_source_block           ydcosd184-14_sq_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7700150--7700154.cif.
;
_cod_database_code               7700154
_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.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Co1 Co 1.0000 0.0000 0.0000 0.03349(19) Uani 1 2 d S U P
Co2 Co 0.33436(3) 0.06148(2) 1.02815(5) 0.04181(17) Uani 1 1 d . U .
N1 N 0.93773(15) -0.08765(15) 0.0824(3) 0.0383(7) Uani 1 1 d . U .
N2 N 0.73449(16) -0.36142(15) 0.3890(3) 0.0447(8) Uani 1 1 d . U .
N3 N 0.39382(17) 0.03620(16) 1.2027(3) 0.0491(8) Uani 1 1 d . U .
O1 O 0.63467(15) 0.46254(13) 0.5560(3) 0.0590(8) Uani 1 1 d . U .
O2 O 0.74261(13) 0.47770(12) 0.4571(3) 0.0479(7) Uani 1 1 d . U .
O3 O 0.82989(17) 0.23567(15) 0.3682(3) 0.0706(9) Uani 1 1 d . U .
O4 O 0.63308(15) 0.21135(15) 0.6914(3) 0.0651(8) Uani 1 1 d . U .
O5 O 0.97852(13) 0.05405(12) 0.1688(3) 0.0419(6) Uani 1 1 d . U .
O6 O 1.06869(16) 0.02615(16) 0.3144(3) 0.0633(8) Uani 1 1 d . U .
O7 O 0.41961(15) 0.11810(14) 0.9474(3) 0.0571(7) Uani 1 1 d . U .
O8 O 0.32983(15) 0.09593(15) 0.8021(3) 0.0660(8) Uani 1 1 d . U .
O9 O 1.09905(13) -0.04250(12) 0.0896(2) 0.0450(7) Uani 1 1 d D U .
H9B H 1.1514 -0.0344 0.0682 0.067 Uiso 1 1 d DR U .
H9A H 1.1008 -0.0263 0.1657 0.067 Uiso 1 1 d DR U .
C1 C 0.70841(19) 0.36262(18) 0.5202(4) 0.0404(9) Uani 1 1 d . U .
C2 C 0.7651(2) 0.33325(19) 0.4455(4) 0.0438(10) Uani 1 1 d . U .
H2 H 0.7959 0.3604 0.3914 0.053 Uiso 1 1 calc R U .
C3 C 0.7757(2) 0.2633(2) 0.4518(4) 0.0496(10) Uani 1 1 d . U .
C4 C 0.7316(2) 0.2221(2) 0.5319(4) 0.0568(11) Uani 1 1 d . U .
H4 H 0.7397 0.1748 0.5362 0.068 Uiso 1 1 calc R U .
C5 C 0.6751(2) 0.2526(2) 0.6055(4) 0.0496(11) Uani 1 1 d . U .
C6 C 0.6631(2) 0.32222(19) 0.6011(4) 0.0469(10) Uani 1 1 d . U .
H6 H 0.6249 0.3421 0.6520 0.056 Uiso 1 1 calc R U .
C7 C 0.6941(2) 0.43805(19) 0.5113(4) 0.0433(9) Uani 1 1 d . U .
C8 C 0.8840(2) 0.19338(19) 0.4252(4) 0.0487(10) Uani 1 1 d . U .
C9 C 0.9178(2) 0.14863(18) 0.3362(4) 0.0419(9) Uani 1 1 d . U .
H9 H 0.9019 0.1470 0.2464 0.050 Uiso 1 1 calc R U .
C10 C 0.97508(19) 0.10645(18) 0.3798(4) 0.0380(9) Uani 1 1 d . U .
C11 C 0.9984(2) 0.1089(2) 0.5132(4) 0.0583(11) Uani 1 1 d . U .
H11 H 1.0374 0.0807 0.5438 0.070 Uiso 1 1 calc R U .
C12 C 0.9629(2) 0.1539(3) 0.6007(4) 0.0669(13) Uani 1 1 d . U .
H12 H 0.9780 0.1553 0.6910 0.080 Uiso 1 1 calc R U .
C13 C 0.9064(2) 0.1962(2) 0.5581(5) 0.0603(12) Uani 1 1 d . U .
H13 H 0.8835 0.2265 0.6181 0.072 Uiso 1 1 calc R U .
C14 C 1.0104(2) 0.05799(18) 0.2813(4) 0.0385(9) Uani 1 1 d . U .
C15 C 0.5608(2) 0.19531(19) 0.6504(4) 0.0465(10) Uani 1 1 d . U .
C16 C 0.5154(2) 0.16735(18) 0.7503(4) 0.0432(9) Uani 1 1 d . U .
H16 H 0.5342 0.1613 0.8376 0.052 Uiso 1 1 calc R U .
C17 C 0.4423(2) 0.14856(18) 0.7193(4) 0.0442(10) Uani 1 1 d . U .
C18 C 0.4150(2) 0.1569(2) 0.5892(5) 0.0581(12) Uani 1 1 d . U .
H18 H 0.3660 0.1436 0.5676 0.070 Uiso 1 1 calc R U .
C19 C 0.4611(3) 0.1854(2) 0.4908(4) 0.0633(12) Uani 1 1 d . U .
H19 H 0.4427 0.1916 0.4033 0.076 Uiso 1 1 calc R U .
C20 C 0.5339(2) 0.2045(2) 0.5217(4) 0.0567(11) Uani 1 1 d . U .
H20 H 0.5646 0.2235 0.4555 0.068 Uiso 1 1 calc R U .
C21 C 0.3935(2) 0.1193(2) 0.8289(5) 0.0497(10) Uani 1 1 d . U .
C22 C 0.88131(19) -0.07810(18) 0.1695(4) 0.0439(10) Uani 1 1 d . U .
H22 H 0.8680 -0.0331 0.1910 0.053 Uiso 1 1 calc R U .
C23 C 0.84214(19) -0.13029(19) 0.2287(4) 0.0466(10) Uani 1 1 d . U .
H23 H 0.8039 -0.1201 0.2895 0.056 Uiso 1 1 calc R U .
C24 C 0.85880(18) -0.19831(17) 0.1991(4) 0.0370(9) Uani 1 1 d . U .
C25 C 0.9168(2) -0.20890(19) 0.1078(4) 0.0455(10) Uani 1 1 d . U .
H25 H 0.9305 -0.2534 0.0834 0.055 Uiso 1 1 calc R U .
C26 C 0.9542(2) -0.15343(19) 0.0533(4) 0.0430(10) Uani 1 1 d . U .
H26 H 0.9931 -0.1620 -0.0072 0.052 Uiso 1 1 calc R U .
C29 C 0.81649(19) -0.25558(18) 0.2632(4) 0.0404(9) Uani 1 1 d . U .
C30 C 0.8356(2) -0.3224(2) 0.2532(5) 0.0698(14) Uani 1 1 d . U .
H30 H 0.8773 -0.3347 0.2019 0.084 Uiso 1 1 calc R U .
C31 C 0.7949(2) -0.3729(2) 0.3170(5) 0.0703(14) Uani 1 1 d . U .
H31 H 0.8113 -0.4182 0.3085 0.084 Uiso 1 1 calc R U .
C32 C 0.3621(2) 0.0127(2) 1.3162(5) 0.0644(13) Uani 1 1 d . U .
H32 H 0.3101 0.0064 1.3163 0.077 Uiso 1 1 calc R U .
C33 C 0.4008(2) -0.0026(2) 1.4310(4) 0.0649(13) Uani 1 1 d . U .
H33 H 0.3751 -0.0193 1.5060 0.078 Uiso 1 1 calc R U .
C34 C 0.47835(19) 0.00645(19) 1.4381(4) 0.0450(10) Uani 1 1 d . U .
C35 C 0.5116(2) 0.0282(2) 1.3185(4) 0.0520(11) Uani 1 1 d . U .
H35 H 0.5637 0.0329 1.3144 0.062 Uiso 1 1 calc R U .
C36 C 0.4692(2) 0.0425(2) 1.2079(4) 0.0542(11) Uani 1 1 d . U .
H36 H 0.4938 0.0578 1.1306 0.065 Uiso 1 1 calc R U .
C27 C 0.7169(3) -0.2968(2) 0.4011(6) 0.109(2) Uani 1 1 d . U .
H27 H 0.6756 -0.2857 0.4544 0.130 Uiso 1 1 calc R U .
C28 C 0.7551(3) -0.2438(2) 0.3406(6) 0.111(2) Uani 1 1 d . U .
H28 H 0.7385 -0.1989 0.3530 0.134 Uiso 1 1 calc R U .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O5 Co1 O5 180.0 3_755 .
O5 Co1 O9 90.98(10) 3_755 3_755
O5 Co1 O9 89.02(10) . 3_755
O5 Co1 O9 89.02(10) 3_755 .
O5 Co1 O9 90.98(10) . .
O9 Co1 O9 180.0 3_755 .
O5 Co1 N1 89.94(10) 3_755 3_755
O5 Co1 N1 90.06(10) . 3_755
O9 Co1 N1 87.76(10) 3_755 3_755
O9 Co1 N1 92.24(10) . 3_755
O5 Co1 N1 90.06(10) 3_755 .
O5 Co1 N1 89.94(10) . .
O9 Co1 N1 92.24(10) 3_755 .
O9 Co1 N1 87.76(10) . .
N1 Co1 N1 180.00(9) 3_755 .
O7 Co2 N3 94.47(12) . .
O7 Co2 N2 101.67(11) . 2_656
N3 Co2 N2 98.00(12) . 2_656
O7 Co2 O2 156.52(11) . 2_646
N3 Co2 O2 94.92(11) . 2_646
N2 Co2 O2 98.26(10) 2_656 2_646
O7 Co2 O1 97.94(10) . 2_646
N3 Co2 O1 88.87(12) . 2_646
N2 Co2 O1 158.60(11) 2_656 2_646
O2 Co2 O1 60.82(9) 2_646 2_646
O7 Co2 O8 59.45(11) . .
N3 Co2 O8 151.42(11) . .
N2 Co2 O8 98.70(11) 2_656 .
O2 Co2 O8 105.41(10) 2_646 .
O1 Co2 O8 83.93(11) 2_646 .
O7 Co2 C7 127.68(11) . 2_646
N3 Co2 C7 90.24(13) . 2_646
N2 Co2 C7 129.19(11) 2_656 2_646
O2 Co2 C7 30.93(10) 2_646 2_646
O1 Co2 C7 30.00(10) 2_646 2_646
O8 Co2 C7 96.93(12) . 2_646
C22 N1 C26 115.8(3) . .
C22 N1 Co1 120.9(2) . .
C26 N1 Co1 123.3(2) . .
C27 N2 C31 114.3(4) . .
C27 N2 Co2 120.8(3) . 2_646
C31 N2 Co2 124.8(3) . 2_646
C32 N3 C36 115.0(4) . .
C32 N3 Co2 124.2(3) . .
C36 N3 Co2 120.8(3) . .
C7 O1 Co2 89.2(2) . 2_656
C7 O2 Co2 89.9(2) . 2_656
C3 O3 C8 118.2(3) . .
C15 O4 C5 117.0(3) . .
C14 O5 Co1 133.2(2) . .
C21 O7 Co2 96.0(2) . .
C21 O8 Co2 82.7(3) . .
Co1 O9 H9B 129.7 . .
Co1 O9 H9A 105.2 . .
H9B O9 H9A 96.1 . .
C2 C1 C6 120.3(3) . .
C2 C1 C7 120.1(3) . .
C6 C1 C7 119.6(3) . .
C3 C2 C1 119.1(3) . .
C3 C2 H2 120.5 . .
C1 C2 H2 120.5 . .
C4 C3 C2 121.7(3) . .
C4 C3 O3 121.3(3) . .
C2 C3 O3 116.9(3) . .
C3 C4 C5 118.1(4) . .
C3 C4 H4 120.9 . .
C5 C4 H4 120.9 . .
C6 C5 C4 121.5(3) . .
C6 C5 O4 120.4(4) . .
C4 C5 O4 118.0(4) . .
C5 C6 C1 119.2(3) . .
C5 C6 H6 120.4 . .
C1 C6 H6 120.4 . .
O1 C7 O2 119.7(3) . .
O1 C7 C1 120.1(3) . .
O2 C7 C1 120.2(3) . .
O1 C7 Co2 60.83(19) . 2_656
O2 C7 Co2 59.16(17) . 2_656
C1 C7 Co2 174.0(3) . 2_656
C13 C8 C9 120.8(4) . .
C13 C8 O3 124.3(4) . .
C9 C8 O3 114.8(4) . .
C10 C9 C8 120.0(4) . .
C10 C9 H9 120.0 . .
C8 C9 H9 120.0 . .
C9 C10 C11 119.9(3) . .
C9 C10 C14 118.9(3) . .
C11 C10 C14 121.2(4) . .
C10 C11 C12 118.8(4) . .
C10 C11 H11 120.6 . .
C12 C11 H11 120.6 . .
C13 C12 C11 121.7(4) . .
C13 C12 H12 119.1 . .
C11 C12 H12 119.1 . .
C12 C13 C8 118.8(4) . .
C12 C13 H13 120.6 . .
C8 C13 H13 120.6 . .
O5 C14 O6 125.1(3) . .
O5 C14 C10 115.4(3) . .
O6 C14 C10 119.4(4) . .
C20 C15 O4 124.3(3) . .
C20 C15 C16 120.8(4) . .
O4 C15 C16 114.9(4) . .
C17 C16 C15 119.5(4) . .
C17 C16 H16 120.2 . .
C15 C16 H16 120.2 . .
C18 C17 C16 120.0(4) . .
C18 C17 C21 121.1(4) . .
C16 C17 C21 119.0(4) . .
C17 C18 C19 119.6(4) . .
C17 C18 H18 120.2 . .
C19 C18 H18 120.2 . .
C20 C19 C18 120.5(4) . .
C20 C19 H19 119.8 . .
C18 C19 H19 119.8 . .
C15 C20 C19 119.6(4) . .
C15 C20 H20 120.2 . .
C19 C20 H20 120.2 . .
O8 C21 O7 121.4(4) . .
O8 C21 C17 120.7(4) . .
O7 C21 C17 117.9(4) . .
N1 C22 C23 124.0(3) . .
N1 C22 H22 118.0 . .
C23 C22 H22 118.0 . .
C22 C23 C24 120.6(3) . .
C22 C23 H23 119.7 . .
C24 C23 H23 119.7 . .
C23 C24 C25 116.0(3) . .
C23 C24 C29 121.0(3) . .
C25 C24 C29 123.0(3) . .
C26 C25 C24 119.9(3) . .
C26 C25 H25 120.0 . .
C24 C25 H25 120.0 . .
N1 C26 C25 123.7(3) . .
N1 C26 H26 118.1 . .
C25 C26 H26 118.1 . .
C30 C29 C28 114.0(4) . .
C30 C29 C24 124.3(3) . .
C28 C29 C24 121.6(3) . .
C29 C30 C31 121.5(4) . .
C29 C30 H30 119.3 . .
C31 C30 H30 119.3 . .
N2 C31 C30 124.2(4) . .
N2 C31 H31 117.9 . .
C30 C31 H31 117.9 . .
N3 C32 C33 124.2(4) . .
N3 C32 H32 117.9 . .
C33 C32 H32 117.9 . .
C32 C33 C34 120.8(4) . .
C32 C33 H33 119.6 . .
C34 C33 H33 119.6 . .
C33 C34 C35 114.8(4) . .
C33 C34 C34 122.4(4) . 3_658
C35 C34 C34 122.7(4) . 3_658
C36 C35 C34 120.9(3) . .
C36 C35 H35 119.5 . .
C34 C35 H35 119.5 . .
N3 C36 C35 124.1(4) . .
N3 C36 H36 117.9 . .
C35 C36 H36 117.9 . .
N2 C27 C28 124.4(4) . .
N2 C27 H27 117.8 . .
C28 C27 H27 117.8 . .
C29 C28 C27 121.4(4) . .
C29 C28 H28 119.3 . .
C27 C28 H28 119.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O5 2.008(2) 3_755
Co1 O5 2.008(2) .
Co1 O9 2.129(2) 3_755
Co1 O9 2.129(2) .
Co1 N1 2.188(3) 3_755
Co1 N1 2.188(3) .
Co2 O7 2.036(3) .
Co2 N3 2.075(3) .
Co2 N2 2.100(3) 2_656
Co2 O2 2.129(2) 2_646
Co2 O1 2.165(3) 2_646
Co2 O8 2.332(3) .
Co2 C7 2.479(4) 2_646
N1 C22 1.336(4) .
N1 C26 1.342(4) .
N2 C27 1.299(5) .
N2 C31 1.308(4) .
N2 Co2 2.100(3) 2_646
N3 C32 1.337(5) .
N3 C36 1.344(5) .
O1 C7 1.240(4) .
O1 Co2 2.165(3) 2_656
O2 C7 1.275(4) .
O2 Co2 2.129(2) 2_656
O3 C3 1.379(4) .
O3 C8 1.380(5) .
O4 C15 1.379(5) .
O4 C5 1.387(4) .
O5 C14 1.246(4) .
O6 C14 1.247(4) .
O7 C21 1.256(5) .
O8 C21 1.245(5) .
O9 H9B 0.9660 .
O9 H9A 0.8153 .
C1 C2 1.374(5) .
C1 C6 1.380(5) .
C1 C7 1.489(5) .
C2 C3 1.373(5) .
C2 H2 0.9300 .
C3 C4 1.372(5) .
C4 C5 1.376(5) .
C4 H4 0.9300 .
C5 C6 1.368(5) .
C6 H6 0.9300 .
C7 Co2 2.479(4) 2_656
C8 C13 1.372(6) .
C8 C9 1.376(5) .
C9 C10 1.373(5) .
C9 H9 0.9300 .
C10 C11 1.380(5) .
C10 C14 1.494(5) .
C11 C12 1.384(5) .
C11 H11 0.9300 .
C12 C13 1.360(6) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C15 C20 1.367(5) .
C15 C16 1.387(5) .
C16 C17 1.381(5) .
C16 H16 0.9300 .
C17 C18 1.380(5) .
C17 C21 1.501(5) .
C18 C19 1.388(5) .
C18 H18 0.9300 .
C19 C20 1.375(6) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C22 C23 1.362(5) .
C22 H22 0.9300 .
C23 C24 1.385(5) .
C23 H23 0.9300 .
C24 C25 1.388(5) .
C24 C29 1.485(5) .
C25 C26 1.376(5) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C29 C30 1.345(5) .
C29 C28 1.353(5) .
C30 C31 1.372(5) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 C33 1.356(5) .
C32 H32 0.9300 .
C33 C34 1.388(5) .
C33 H33 0.9300 .
C34 C35 1.388(5) .
C34 C34 1.462(7) 3_658
C35 C36 1.352(5) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C27 C28 1.370(6) .
C27 H27 0.9300 .
C28 H28 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
_geom_torsion_site_symmetry_4
C6 C1 C2 C3 0.4(6) . .
C7 C1 C2 C3 -177.9(4) . .
C1 C2 C3 C4 -0.7(6) . .
C1 C2 C3 O3 175.7(4) . .
C8 O3 C3 C4 -55.2(6) . .
C8 O3 C3 C2 128.4(4) . .
C2 C3 C4 C5 0.8(7) . .
O3 C3 C4 C5 -175.5(4) . .
C3 C4 C5 C6 -0.6(7) . .
C3 C4 C5 O4 -176.9(4) . .
C15 O4 C5 C6 78.0(5) . .
C15 O4 C5 C4 -105.7(4) . .
C4 C5 C6 C1 0.4(6) . .
O4 C5 C6 C1 176.6(4) . .
C2 C1 C6 C5 -0.3(6) . .
C7 C1 C6 C5 178.0(4) . .
Co2 O1 C7 O2 6.4(4) 2_656 .
Co2 O1 C7 C1 -173.1(3) 2_656 .
Co2 O2 C7 O1 -6.6(4) 2_656 .
Co2 O2 C7 C1 173.0(3) 2_656 .
C2 C1 C7 O1 165.6(4) . .
C6 C1 C7 O1 -12.8(6) . .
C2 C1 C7 O2 -14.0(6) . .
C6 C1 C7 O2 167.7(4) . .
C3 O3 C8 C13 -25.7(6) . .
C3 O3 C8 C9 157.2(3) . .
C13 C8 C9 C10 -0.4(6) . .
O3 C8 C9 C10 176.8(3) . .
C8 C9 C10 C11 0.2(5) . .
C8 C9 C10 C14 179.5(3) . .
C9 C10 C11 C12 0.4(6) . .
C14 C10 C11 C12 -178.9(4) . .
C10 C11 C12 C13 -0.8(7) . .
C11 C12 C13 C8 0.7(7) . .
C9 C8 C13 C12 0.0(6) . .
O3 C8 C13 C12 -176.9(4) . .
Co1 O5 C14 O6 0.7(5) . .
Co1 O5 C14 C10 179.3(2) . .
C9 C10 C14 O5 -8.1(5) . .
C11 C10 C14 O5 171.2(3) . .
C9 C10 C14 O6 170.6(3) . .
C11 C10 C14 O6 -10.2(5) . .
C5 O4 C15 C20 14.6(6) . .
C5 O4 C15 C16 -166.4(3) . .
C20 C15 C16 C17 0.0(6) . .
O4 C15 C16 C17 -179.1(3) . .
C15 C16 C17 C18 0.8(6) . .
C15 C16 C17 C21 -179.2(3) . .
C16 C17 C18 C19 -1.2(6) . .
C21 C17 C18 C19 178.8(4) . .
C17 C18 C19 C20 0.8(6) . .
O4 C15 C20 C19 178.7(4) . .
C16 C15 C20 C19 -0.3(6) . .
C18 C19 C20 C15 -0.1(6) . .
Co2 O8 C21 O7 -5.9(4) . .
Co2 O8 C21 C17 172.8(3) . .
Co2 O7 C21 O8 6.8(4) . .
Co2 O7 C21 C17 -172.0(3) . .
C18 C17 C21 O8 6.8(6) . .
C16 C17 C21 O8 -173.3(4) . .
C18 C17 C21 O7 -174.4(4) . .
C16 C17 C21 O7 5.5(5) . .
C26 N1 C22 C23 0.8(6) . .
Co1 N1 C22 C23 -177.4(3) . .
N1 C22 C23 C24 -0.9(6) . .
C22 C23 C24 C25 0.2(6) . .
C22 C23 C24 C29 179.9(3) . .
C23 C24 C25 C26 0.4(6) . .
C29 C24 C25 C26 -179.3(3) . .
C22 N1 C26 C25 -0.2(6) . .
Co1 N1 C26 C25 178.0(3) . .
C24 C25 C26 N1 -0.4(6) . .
C23 C24 C29 C30 -171.1(4) . .
C25 C24 C29 C30 8.6(6) . .
C23 C24 C29 C28 7.4(7) . .
C25 C24 C29 C28 -172.9(5) . .
C28 C29 C30 C31 0.2(8) . .
C24 C29 C30 C31 178.8(4) . .
C27 N2 C31 C30 -2.8(8) . .
Co2 N2 C31 C30 173.8(4) 2_646 .
C29 C30 C31 N2 1.5(8) . .
C36 N3 C32 C33 1.6(7) . .
Co2 N3 C32 C33 -178.7(4) . .
N3 C32 C33 C34 0.8(8) . .
C32 C33 C34 C35 -3.2(6) . .
C32 C33 C34 C34 177.2(5) . 3_658
C33 C34 C35 C36 3.5(6) . .
C34 C34 C35 C36 -177.0(4) 3_658 .
C32 N3 C36 C35 -1.3(6) . .
Co2 N3 C36 C35 178.9(3) . .
C34 C35 C36 N3 -1.3(7) . .
C31 N2 C27 C28 2.6(9) . .
Co2 N2 C27 C28 -174.2(5) 2_646 .
C30 C29 C28 C27 -0.4(9) . .
C24 C29 C28 C27 -179.1(5) . .
N2 C27 C28 C29 -1.0(11) . .
