#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:23:19 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/01/7210199.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_7210199
loop_
_publ_author_name
'Li, Meng-Yuan'
'Sevov, Slavi C.'
_publ_section_title
;
 Mellitate-based coordination polymers with a recurring motif: controlling
 dimensionality with secondary ligands
;
_journal_issue                   25
_journal_name_full               CrystEngComm
_journal_page_first              5107
_journal_paper_doi               10.1039/c3ce40442k
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C30 H27 Co2 N6 O18.65'
_chemical_formula_weight         887.76
_chemical_name_common            Co-tpt-mel
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 92.43(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.986(3)
_cell_length_b                   11.382(2)
_cell_length_c                   15.228(4)
_cell_measurement_reflns_used    17034
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      26.52
_cell_measurement_theta_min      2.24
_cell_volume                     3461.0(12)
_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-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0805
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9907
_diffrn_reflns_theta_full        28.40
_diffrn_reflns_theta_max         28.40
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    1.052
_exptl_absorpt_correction_T_max  0.861
_exptl_absorpt_correction_T_min  0.843
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Blessing, R.H. (1995) Acta Cryst. A51, 33-38'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.704
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1809
_exptl_crystal_size_max          0.162
_exptl_crystal_size_mid          0.144
_exptl_crystal_size_min          0.142
_refine_diff_density_max         0.665
_refine_diff_density_min         -1.078
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     543
_refine_ls_number_reflns         8574
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0806
_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
'calc w=1/[σ²(Fo²)+(0.0000P)²+6.4587P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1023
_refine_ls_wR_factor_ref         0.1177
_reflns_number_gt                6639
_reflns_number_total             8574
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40442k.txt
_cod_data_source_block           twin5_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3460.9(13)
_cod_original_sg_symbol_H-M      'P 2(1)/c'
_cod_database_code               7210199
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 0.00026(5) 0.79216(4) 0.36167(3) 0.01279(11) Uani 1 1 d .
Co2 Co 0.19236(2) 0.50133(7) 0.51129(6) 0.01011(10) Uani 1 1 d .
O1 O 0.10200(19) 0.7283(3) 0.5967(3) 0.0177(9) Uani 1 1 d .
O2 O 0.1925(2) 0.6831(3) 0.5213(3) 0.0154(8) Uani 1 1 d .
O3 O 0.10446(19) 0.7724(3) 0.3539(3) 0.0159(9) Uani 1 1 d .
O4 O 0.21318(17) 0.7981(3) 0.3347(3) 0.0140(8) Uani 1 1 d .
H4 H 0.2083 0.7364 0.3048 0.021 Uiso 1 1 calc R
O5 O 0.1269(2) 1.0304(4) 0.2711(3) 0.0187(9) Uani 1 1 d .
O6 O 0.21156(19) 1.1537(3) 0.3108(3) 0.0170(9) Uani 1 1 d .
O7 O 0.1036(2) 1.2730(3) 0.4135(3) 0.0222(10) Uani 1 1 d .
O8 O 0.1931(2) 1.3202(3) 0.5002(3) 0.0149(9) Uani 1 1 d .
O9 O 0.10366(18) 1.2284(3) 0.6573(3) 0.0142(9) Uani 1 1 d .
O10 O 0.21315(17) 1.2067(3) 0.6866(3) 0.0133(8) Uani 1 1 d .
H10 H 0.2053 1.2504 0.7294 0.020 Uiso 1 1 calc R
O11 O 0.1256(2) 0.9696(4) 0.7423(3) 0.0182(9) Uani 1 1 d .
O12 O 0.20995(18) 0.8496(3) 0.7122(3) 0.0162(9) Uani 1 1 d .
O1W O -0.0004(2) 0.6364(2) 0.42510(19) 0.0215(6) Uani 1 1 d D
H1WA H -0.0340(19) 0.594(5) 0.432(4) 0.032 Uiso 1 1 d D
H1WB H 0.0343(18) 0.601(5) 0.412(4) 0.032 Uiso 1 1 d D
O2W O -0.0003(3) 0.7276(2) 0.23032(19) 0.0254(6) Uani 1 1 d D
H2WA H -0.035(2) 0.742(7) 0.199(5) 0.038 Uiso 1 1 d D
H2WB H 0.034(2) 0.742(7) 0.202(5) 0.038 Uiso 1 1 d D
O3W O 0.0008(3) 0.9610(2) 0.3195(2) 0.0319(7) Uani 1 1 d D
H3WA H -0.032(3) 0.986(6) 0.288(5) 0.048 Uiso 1 1 d D
H3WB H 0.034(3) 0.992(6) 0.295(6) 0.048 Uiso 1 1 d D
O4W O 0.0007(3) 0.8668(3) 0.4918(2) 0.0301(7) Uani 1 1 d D
H4WA H -0.022(3) 0.880(5) 0.536(2) 0.045 Uiso 1 1 d D
H4WB H 0.030(2) 0.825(5) 0.518(4) 0.045 Uiso 1 1 d D
O5W O 0.1125(2) 0.4960(3) 0.5994(3) 0.0125(8) Uani 1 1 d .
O6W O 0.1124(2) 0.5064(3) 0.4121(3) 0.0128(8) Uani 1 1 d D
H6WA H 0.122(3) 0.521(4) 0.3600(13) 0.019 Uiso 1 1 d D
H6WB H 0.108(3) 0.4334(12) 0.406(4) 0.019 Uiso 1 1 d D
N1 N 0.5067(2) 0.4798(3) 0.7159(4) 0.0215(10) Uani 1 1 d .
N2 N 0.5771(2) 0.5614(4) 0.8304(3) 0.0238(9) Uani 1 1 d .
N3 N 0.4585(2) 0.5729(4) 0.8399(3) 0.0229(10) Uani 1 1 d .
N4 N 0.2691(2) 0.4858(4) 0.6135(3) 0.0147(10) Uani 1 1 d .
N5 N 0.7318(2) 0.4834(4) 0.5833(3) 0.0144(10) Uani 1 1 d .
N6 N 0.5486(3) 0.7369(4) 1.1312(4) 0.0417(12) Uani 1 1 d .
C1 C 0.1617(2) 0.8826(4) 0.5295(4) 0.0096(11) Uani 1 1 d .
C2 C 0.1637(2) 0.9163(4) 0.4426(4) 0.0075(10) Uani 1 1 d U
C3 C 0.1658(3) 1.0373(5) 0.4214(4) 0.0101(11) Uani 1 1 d .
C4 C 0.1626(3) 1.1203(4) 0.4873(4) 0.0086(11) Uani 1 1 d .
C5 C 0.1627(3) 1.0857(5) 0.5758(4) 0.0105(11) Uani 1 1 d .
C6 C 0.1631(3) 0.9667(5) 0.5988(4) 0.0097(11) Uani 1 1 d .
C7 C 0.1516(2) 0.7525(5) 0.5523(4) 0.0104(11) Uani 1 1 d .
C8 C 0.1585(2) 0.8222(4) 0.3712(4) 0.0097(11) Uani 1 1 d .
C9 C 0.1678(3) 1.0760(5) 0.3267(4) 0.0117(11) Uani 1 1 d .
C10 C 0.1533(2) 1.2475(5) 0.4637(4) 0.0113(11) Uani 1 1 d .
C11 C 0.1574(2) 1.1798(4) 0.6450(4) 0.0103(11) Uani 1 1 d .
C12 C 0.1658(3) 0.9261(5) 0.6923(4) 0.0102(11) Uani 1 1 d .
C13 C 0.4541(3) 0.5161(4) 0.7621(3) 0.0201(10) Uani 1 1 d .
C14 C 0.5662(2) 0.5109(4) 0.7520(4) 0.0202(10) Uani 1 1 d .
C15 C 0.5217(3) 0.5870(4) 0.8729(3) 0.0206(10) Uani 1 1 d .
C16 C 0.2780(3) 0.5675(5) 0.6762(4) 0.0234(13) Uani 1 1 d .
H16A H 0.2429 0.6222 0.6842 0.028 Uiso 1 1 calc R
C17 C 0.3355(3) 0.5771(5) 0.7300(4) 0.0251(13) Uani 1 1 d .
H17A H 0.3391 0.6357 0.7744 0.030 Uiso 1 1 calc R
C18 C 0.3872(3) 0.4993(5) 0.7176(4) 0.0202(11) Uani 1 1 d .
C19 C 0.3772(3) 0.4102(5) 0.6564(4) 0.0265(14) Uani 1 1 d .
H19A H 0.4110 0.3530 0.6483 0.032 Uiso 1 1 calc R
C20 C 0.3181(3) 0.4056(5) 0.6078(4) 0.0225(13) Uani 1 1 d .
H20A H 0.3113 0.3421 0.5679 0.027 Uiso 1 1 calc R
C21 C 0.6802(3) 0.4067(5) 0.5741(5) 0.0266(15) Uani 1 1 d .
H21A H 0.6812 0.3485 0.5294 0.032 Uiso 1 1 calc R
C22 C 0.6256(3) 0.4106(5) 0.6282(5) 0.0280(14) Uani 1 1 d .
H22A H 0.5893 0.3576 0.6190 0.034 Uiso 1 1 calc R
C23 C 0.6250(3) 0.4933(4) 0.6963(4) 0.0199(11) Uani 1 1 d .
C24 C 0.6803(3) 0.5666(5) 0.7079(4) 0.0206(12) Uani 1 1 d .
H24A H 0.6829 0.6208 0.7553 0.025 Uiso 1 1 calc R
C25 C 0.7313(3) 0.5603(5) 0.6505(4) 0.0165(11) Uani 1 1 d .
H25A H 0.7681 0.6127 0.6585 0.020 Uiso 1 1 calc R
C26 C 0.6010(3) 0.6986(5) 1.0861(4) 0.0391(14) Uani 1 1 d .
H26A H 0.6446 0.7052 1.1131 0.047 Uiso 1 1 calc R
C27 C 0.5947(3) 0.6501(5) 1.0025(4) 0.0293(12) Uani 1 1 d .
H27A H 0.6330 0.6242 0.9730 0.035 Uiso 1 1 calc R
C28 C 0.5301(3) 0.6404(5) 0.9626(4) 0.0249(12) Uani 1 1 d .
C29 C 0.4752(3) 0.6750(5) 1.0087(4) 0.0294(13) Uani 1 1 d .
H29A H 0.4309 0.6665 0.9845 0.035 Uiso 1 1 calc R
C30 C 0.4878(3) 0.7234(5) 1.0927(5) 0.0372(14) Uani 1 1 d .
H30A H 0.4504 0.7482 1.1244 0.045 Uiso 1 1 calc R
O7W O 0.3294(5) 0.8448(8) 0.6018(7) 0.080(4) Uiso 0.646(16) 1 d P
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
O1W Co1 O3W 169.89(13) . .
O1W Co1 O9 86.64(18) . 3_576
O3W Co1 O9 94.62(19) . 3_576
O1W Co1 O3 87.67(18) . .
O3W Co1 O3 93.75(19) . .
O9 Co1 O3 163.17(9) 3_576 .
O1W Co1 O2W 98.41(11) . .
O3W Co1 O2W 91.70(13) . .
O9 Co1 O2W 82.3(2) 3_576 .
O3 Co1 O2W 82.9(2) . .
O1W Co1 O4W 84.61(12) . .
O3W Co1 O4W 85.28(14) . .
O9 Co1 O4W 97.82(19) 3_576 .
O3 Co1 O4W 97.40(19) . .
O2W Co1 O4W 176.97(12) . .
O8 Co2 O2 179.27(18) 1_545 .
O8 Co2 O5W 91.80(15) 1_545 .
O2 Co2 O5W 88.94(15) . .
O8 Co2 N5 91.04(17) 1_545 3_666
O2 Co2 N5 88.23(16) . 3_666
O5W Co2 N5 175.50(16) . 3_666
O8 Co2 N4 88.29(16) 1_545 .
O2 Co2 N4 91.72(17) . .
O5W Co2 N4 94.13(16) . .
N5 Co2 N4 89.44(11) 3_666 .
O8 Co2 O6W 88.66(15) 1_545 .
O2 Co2 O6W 91.36(15) . .
O5W Co2 O6W 83.62(9) . .
N5 Co2 O6W 92.96(17) 3_666 .
N4 Co2 O6W 176.15(16) . .
C7 O2 Co2 131.4(4) . .
C8 O3 Co1 142.7(4) . .
C10 O8 Co2 133.2(3) . 1_565
C11 O9 Co1 142.6(4) . 3_576
C14 N1 C13 113.7(5) . .
C14 N2 C15 114.8(4) . .
C13 N3 C15 114.1(4) . .
C16 N4 C20 116.3(5) . .
C16 N4 Co2 121.9(4) . .
C20 N4 Co2 120.6(4) . .
C25 N5 C21 117.9(5) . .
C25 N5 Co2 119.1(3) . 3_666
C21 N5 Co2 122.7(4) . 3_666
C30 N6 C26 116.8(5) . .
C2 C1 C6 121.6(5) . .
C2 C1 C7 119.6(5) . .
C6 C1 C7 118.6(5) . .
C1 C2 C3 119.5(5) . .
C1 C2 C8 118.9(5) . .
C3 C2 C8 121.5(5) . .
C4 C3 C2 119.8(5) . .
C4 C3 C9 119.8(5) . .
C2 C3 C9 120.3(5) . .
C3 C4 C5 120.5(5) . .
C3 C4 C10 119.7(5) . .
C5 C4 C10 119.7(5) . .
C6 C5 C4 120.8(5) . .
C6 C5 C11 120.8(5) . .
C4 C5 C11 118.3(5) . .
C5 C6 C1 117.7(5) . .
C5 C6 C12 122.5(5) . .
C1 C6 C12 119.8(5) . .
O2 C7 O1 127.8(5) . .
O2 C7 C1 115.5(5) . .
O1 C7 C1 116.6(5) . .
O3 C8 O4 124.3(5) . .
O3 C8 C2 120.4(5) . .
O4 C8 C2 115.3(4) . .
O5 C9 O6 126.0(6) . .
O5 C9 C3 118.6(5) . .
O6 C9 C3 115.4(5) . .
O8 C10 O7 125.6(5) . .
O8 C10 C4 117.3(5) . .
O7 C10 C4 116.9(5) . .
O9 C11 O10 123.9(5) . .
O9 C11 C5 120.9(5) . .
O10 C11 C5 115.1(4) . .
O11 C12 O12 126.4(5) . .
O11 C12 C6 117.7(5) . .
O12 C12 C6 115.9(5) . .
N3 C13 N1 125.5(5) . .
N3 C13 C18 119.1(5) . .
N1 C13 C18 115.3(5) . .
N2 C14 N1 126.2(5) . .
N2 C14 C23 117.6(4) . .
N1 C14 C23 116.0(5) . .
N2 C15 N3 125.1(5) . .
N2 C15 C28 117.9(4) . .
N3 C15 C28 117.0(5) . .
N4 C16 C17 123.9(5) . .
C18 C17 C16 118.3(6) . .
C17 C18 C19 118.3(5) . .
C17 C18 C13 121.3(5) . .
C19 C18 C13 120.1(5) . .
C20 C19 C18 119.3(5) . .
N4 C20 C19 123.6(5) . .
N5 C21 C22 122.0(6) . .
C21 C22 C23 119.3(5) . .
C24 C23 C22 117.6(5) . .
C24 C23 C14 119.3(5) . .
C22 C23 C14 122.9(5) . .
C25 C24 C23 119.8(5) . .
N5 C25 C24 123.2(5) . .
N6 C26 C27 123.6(6) . .
C26 C27 C28 118.2(5) . .
C29 C28 C27 119.4(6) . .
C29 C28 C15 121.2(5) . .
C27 C28 C15 119.3(5) . .
C28 C29 C30 117.3(6) . .
N6 C30 C29 124.7(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1W 2.019(2) .
Co1 O3W 2.027(3) .
Co1 O9 2.098(4) 3_576
Co1 O3 2.103(4) .
Co1 O2W 2.131(3) .
Co1 O4W 2.156(3) .
Co2 O8 2.068(4) 1_545
Co2 O2 2.075(4) .
Co2 O5W 2.129(4) .
Co2 N5 2.142(5) 3_666
Co2 N4 2.146(5) .
Co2 O6W 2.152(4) .
O1 C7 1.254(7) .
O2 C7 1.245(6) .
O3 C8 1.237(6) .
O4 C8 1.277(6) .
O5 C9 1.263(7) .
O6 C9 1.274(7) .
O7 C10 1.261(7) .
O8 C10 1.260(6) .
O8 Co2 2.068(4) 1_565
O9 C11 1.230(6) .
O9 Co1 2.098(4) 3_576
O10 C11 1.295(6) .
O11 C12 1.235(7) .
O12 C12 1.267(6) .
N1 C14 1.336(6) .
N1 C13 1.355(7) .
N2 C14 1.334(7) .
N2 C15 1.337(6) .
N3 C13 1.349(7) .
N3 C15 1.349(7) .
N4 C16 1.339(7) .
N4 C20 1.345(7) .
N5 C25 1.346(7) .
N5 C21 1.353(7) .
N5 Co2 2.142(5) 3_666
N6 C30 1.336(8) .
N6 C26 1.348(8) .
C1 C2 1.380(8) .
C1 C6 1.424(7) .
C1 C7 1.536(7) .
C2 C3 1.416(7) .
C2 C8 1.527(7) .
C3 C4 1.382(8) .
C3 C9 1.510(8) .
C4 C5 1.404(8) .
C4 C10 1.501(7) .
C5 C6 1.400(7) .
C5 C11 1.510(8) .
C6 C12 1.496(8) .
C13 C18 1.488(7) .
C14 C23 1.490(7) .
C15 C28 1.499(7) .
C16 C17 1.387(8) .
C17 C18 1.380(7) .
C18 C19 1.385(8) .
C19 C20 1.367(8) .
C21 C22 1.396(8) .
C22 C23 1.402(8) .
C23 C24 1.391(7) .
C24 C25 1.372(8) .
C26 C27 1.389(8) .
C27 C28 1.409(7) .
C28 C29 1.383(8) .
C29 C30 1.406(9) .
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
O8 Co2 O2 C7 163(14) 1_545
O5W Co2 O2 C7 -12.8(5) .
N5 Co2 O2 C7 163.8(5) 3_666
N4 Co2 O2 C7 -106.9(5) .
O6W Co2 O2 C7 70.8(5) .
O1W Co1 O3 C8 -126.0(7) .
O3W Co1 O3 C8 44.0(7) .
O9 Co1 O3 C8 163.7(7) 3_576
O2W Co1 O3 C8 135.2(7) .
O4W Co1 O3 C8 -41.8(7) .
O8 Co2 N4 C16 -154.4(5) 1_545
O2 Co2 N4 C16 26.3(5) .
O5W Co2 N4 C16 -62.8(4) .
N5 Co2 N4 C16 114.5(4) 3_666
O6W Co2 N4 C16 -117(2) .
O8 Co2 N4 C20 38.3(5) 1_545
O2 Co2 N4 C20 -140.9(5) .
O5W Co2 N4 C20 130.0(5) .
N5 Co2 N4 C20 -52.7(5) 3_666
O6W Co2 N4 C20 76(3) .
C6 C1 C2 C3 -1.3(9) .
C7 C1 C2 C3 173.3(4) .
C6 C1 C2 C8 -176.9(5) .
C7 C1 C2 C8 -2.3(7) .
C1 C2 C3 C4 -3.1(8) .
C8 C2 C3 C4 172.4(5) .
C1 C2 C3 C9 -179.8(5) .
C8 C2 C3 C9 -4.2(8) .
C2 C3 C4 C5 5.1(9) .
C9 C3 C4 C5 -178.2(5) .
C2 C3 C4 C10 -169.8(4) .
C9 C3 C4 C10 6.9(8) .
C3 C4 C5 C6 -2.8(9) .
C10 C4 C5 C6 172.1(4) .
C3 C4 C5 C11 -178.5(5) .
C10 C4 C5 C11 -3.5(8) .
C4 C5 C6 C1 -1.5(9) .
C11 C5 C6 C1 174.1(5) .
C4 C5 C6 C12 177.6(5) .
C11 C5 C6 C12 -6.8(8) .
C2 C1 C6 C5 3.5(9) .
C7 C1 C6 C5 -171.1(4) .
C2 C1 C6 C12 -175.6(5) .
C7 C1 C6 C12 9.7(8) .
Co2 O2 C7 O1 9.8(9) .
Co2 O2 C7 C1 -167.0(4) .
C2 C1 C7 O2 55.2(7) .
C6 C1 C7 O2 -130.0(6) .
C2 C1 C7 O1 -121.9(6) .
C6 C1 C7 O1 52.8(7) .
Co1 O3 C8 O4 -159.0(5) .
Co1 O3 C8 C2 23.3(10) .
C1 C2 C8 O3 72.4(7) .
C3 C2 C8 O3 -103.1(6) .
C1 C2 C8 O4 -105.4(6) .
C3 C2 C8 O4 79.0(6) .
C4 C3 C9 O5 -129.3(6) .
C2 C3 C9 O5 47.4(8) .
C4 C3 C9 O6 50.6(7) .
C2 C3 C9 O6 -132.7(5) .
Co2 O8 C10 O7 9.1(9) 1_565
Co2 O8 C10 C4 -166.0(4) 1_565
C3 C4 C10 O8 -129.8(6) .
C5 C4 C10 O8 55.2(7) .
C3 C4 C10 O7 54.6(7) .
C5 C4 C10 O7 -120.4(6) .
Co1 O9 C11 O10 -161.1(4) 3_576
Co1 O9 C11 C5 21.4(9) 3_576
C6 C5 C11 O9 -100.2(6) .
C4 C5 C11 O9 75.5(7) .
C6 C5 C11 O10 82.1(6) .
C4 C5 C11 O10 -102.2(6) .
C5 C6 C12 O11 50.0(8) .
C1 C6 C12 O11 -130.9(5) .
C5 C6 C12 O12 -129.9(5) .
C1 C6 C12 O12 49.2(7) .
C15 N3 C13 N1 -3.3(7) .
C15 N3 C13 C18 -177.6(5) .
C14 N1 C13 N3 -3.4(7) .
C14 N1 C13 C18 171.1(4) .
C15 N2 C14 N1 -3.4(7) .
C15 N2 C14 C23 172.7(4) .
C13 N1 C14 N2 7.1(7) .
C13 N1 C14 C23 -169.0(4) .
C14 N2 C15 N3 -4.7(7) .
C14 N2 C15 C28 178.1(4) .
C13 N3 C15 N2 7.7(7) .
C13 N3 C15 C28 -175.0(4) .
C20 N4 C16 C17 4.1(9) .
Co2 N4 C16 C17 -163.7(5) .
N4 C16 C17 C18 1.2(10) .
C16 C17 C18 C19 -4.7(9) .
C16 C17 C18 C13 169.7(6) .
N3 C13 C18 C17 28.0(8) .
N1 C13 C18 C17 -146.9(6) .
N3 C13 C18 C19 -157.7(5) .
N1 C13 C18 C19 27.4(7) .
C17 C18 C19 C20 3.0(9) .
C13 C18 C19 C20 -171.5(6) .
C16 N4 C20 C19 -5.9(9) .
Co2 N4 C20 C19 162.0(5) .
C18 C19 C20 N4 2.5(10) .
C25 N5 C21 C22 4.1(9) .
Co2 N5 C21 C22 -169.4(5) 3_666
N5 C21 C22 C23 -2.4(10) .
C21 C22 C23 C24 -1.5(9) .
C21 C22 C23 C14 174.3(6) .
N2 C14 C23 C24 -25.5(7) .
N1 C14 C23 C24 151.0(5) .
N2 C14 C23 C22 158.8(5) .
N1 C14 C23 C22 -24.7(7) .
C22 C23 C24 C25 3.5(8) .
C14 C23 C24 C25 -172.5(5) .
C21 N5 C25 C24 -2.0(8) .
Co2 N5 C25 C24 171.7(4) 3_666
C23 C24 C25 N5 -1.8(9) .
C30 N6 C26 C27 1.8(9) .
N6 C26 C27 C28 0.0(9) .
C26 C27 C28 C29 -2.3(8) .
C26 C27 C28 C15 -179.3(5) .
N2 C15 C28 C29 176.5(5) .
N3 C15 C28 C29 -1.0(7) .
N2 C15 C28 C27 -6.6(7) .
N3 C15 C28 C27 175.9(5) .
C27 C28 C29 C30 2.6(8) .
C15 C28 C29 C30 179.5(5) .
C26 N6 C30 C29 -1.5(9) .
C28 C29 C30 N6 -0.8(9) .
