#------------------------------------------------------------------------------
#$Date: 2017-07-11 15:10:40 +0300 (Tue, 11 Jul 2017) $
#$Revision: 198633 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/50/67/4506765.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_4506765
loop_
_publ_author_name
'Qin, Ling'
'Hu, Jinsong'
'Zhang, Mingdao'
'Li, Yizhi'
'Zheng, Hegen'
_publ_section_title
;
 Construction of Metal--Organic Frameworks Based on Two Neutral
 Tetradentate Ligands
;
_journal_issue                   10
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4911
_journal_paper_doi               10.1021/cg300803n
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety         'C40 H48 Co2 N8 O14'
_chemical_formula_sum            'C40 H48 Co2 N8 O14'
_chemical_formula_weight         982.72
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/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                 110.773(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.2407(14)
_cell_length_b                   15.876(2)
_cell_length_c                   15.9418(18)
_cell_measurement_reflns_used    2821
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.578
_cell_measurement_theta_min      2.356
_cell_volume                     2186.7(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0406
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10707
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    0.834
_exptl_absorpt_correction_T_max  0.832
_exptl_absorpt_correction_T_min  0.792
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.493
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1020
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.679
_refine_diff_density_min         -0.838
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         3845
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.530
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0593
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1113P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1667
_refine_ls_wR_factor_ref         0.1759
_reflns_number_gt                2890
_reflns_number_total             3850
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300803n_si_002.cif
_cod_data_source_block           1
_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 

The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'constra' was replaced with the
value 'constr' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_sg_symbol_H-M      P2/c
_cod_database_code               4506765
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
O7 O 0.4024(13) 0.9784(11) 0.6658(10) 0.294(9) Uani 1 1 d . . .
H7F H 0.3519 0.9327 0.6601 0.353 Uiso 1 1 d R . .
H7E H 0.3536 1.0179 0.6802 0.442 Uiso 1 1 d R . .
Co1 Co 0.0000 0.57187(6) 0.2500 0.0353(4) Uani 1 2 d S . .
Co2 Co 1.0000 0.01892(6) 0.7500 0.0374(4) Uani 1 2 d S . .
O1 O -0.1093(6) 0.9138(3) 0.6579(3) 0.0578(13) Uani 1 1 d . . .
O2 O 0.0995(6) 0.9746(3) 0.6582(3) 0.0590(13) Uani 1 1 d . . .
O3 O -0.0835(11) 0.5551(8) 0.4022(15) 0.081(5) Uani 0.72(3) 1 d P A 1
O4 O -0.028(2) 0.6594(6) 0.3301(6) 0.068(5) Uani 0.72(3) 1 d P A 1
O4' O 0.088(7) 0.6628(16) 0.361(3) 0.087(16) Uani 0.28(3) 1 d P A 2
O3' O -0.106(3) 0.590(2) 0.348(2) 0.058(10) Uani 0.28(3) 1 d P A 2
O5 O 0.5000 0.4380(3) 0.7500 0.0434(15) Uani 1 2 d S . .
N1 N 0.1704(6) 0.4907(3) 0.3211(3) 0.0412(13) Uani 1 1 d . A .
N2 N 0.3341(6) 0.4161(3) 0.4296(3) 0.0401(12) Uani 1 1 d . A .
N3 N 0.6657(6) 0.2016(3) 0.6149(3) 0.0431(13) Uani 1 1 d . A .
N4 N 0.8325(6) 0.0994(3) 0.6695(3) 0.0456(14) Uani 1 1 d . A .
C1 C -0.0011(9) 0.9185(4) 0.6289(5) 0.0506(17) Uani 1 1 d . . .
C2 C 0.0083(9) 0.8557(4) 0.5601(5) 0.059(2) Uani 1 1 d . . .
H2 H 0.0673 0.8818 0.5267 0.071 Uiso 1 1 calc R . .
C3 C 0.0902(11) 0.7778(5) 0.6019(6) 0.088(3) Uani 1 1 d . . .
H3A H 0.0369 0.7526 0.6382 0.106 Uiso 1 1 calc R . .
H3B H 0.1941 0.7922 0.6413 0.106 Uiso 1 1 calc R . .
C4 C 0.1001(11) 0.7131(5) 0.5327(6) 0.085(3) Uani 1 1 d . . .
H4A H 0.1666 0.7347 0.5023 0.102 Uiso 1 1 calc R . .
H4B H 0.1459 0.6614 0.5632 0.102 Uiso 1 1 calc R . .
C5 C -0.0577(9) 0.6942(5) 0.4644(5) 0.0578(19) Uani 1 1 d . A .
H5 H -0.1184 0.6667 0.4961 0.069 Uiso 1 1 calc R . .
C6 C -0.1399(11) 0.7733(5) 0.4240(5) 0.084(3) Uani 1 1 d . . .
H6A H -0.2437 0.7596 0.3840 0.101 Uiso 1 1 calc R . .
H6B H -0.0860 0.7997 0.3885 0.101 Uiso 1 1 calc R . .
C7 C -0.1498(10) 0.8358(6) 0.4946(5) 0.082(3) Uani 1 1 d . . .
H7A H -0.1992 0.8872 0.4654 0.098 Uiso 1 1 calc R . .
H7B H -0.2125 0.8120 0.5263 0.098 Uiso 1 1 calc R . .
C8 C -0.0488(12) 0.6339(6) 0.3928(7) 0.076(3) Uani 1 1 d . . .
C9 C 0.2292(7) 0.4776(4) 0.4078(4) 0.0420(15) Uani 1 1 d . . .
H9 H 0.2010 0.5078 0.4496 0.050 Uiso 1 1 calc R A .
C10 C 0.3439(10) 0.3923(5) 0.3508(5) 0.076(3) Uani 1 1 d . . .
H10 H 0.4110 0.3516 0.3438 0.091 Uiso 1 1 calc RD A .
C11 C 0.2439(10) 0.4356(5) 0.2847(5) 0.071(2) Uani 1 1 d . A .
H11 H 0.2269 0.4294 0.2239 0.085 Uiso 1 1 calc R . .
C12 C 0.4215(7) 0.3847(4) 0.5168(4) 0.0359(14) Uani 1 1 d . . .
C13 C 0.4193(7) 0.4266(4) 0.5923(4) 0.0366(14) Uani 1 1 d . A .
H13 H 0.3625 0.4759 0.5870 0.044 Uiso 1 1 calc R . .
C14 C 0.5029(7) 0.3938(4) 0.6761(4) 0.0371(14) Uani 1 1 d . . .
C15 C 0.5891(7) 0.3206(4) 0.6843(4) 0.0416(15) Uani 1 1 d . A .
H15 H 0.6467 0.2993 0.7406 0.050 Uiso 1 1 calc R . .
C16 C 0.5877(7) 0.2803(4) 0.6081(4) 0.0394(15) Uani 1 1 d . . .
C17 C 0.5044(7) 0.3117(4) 0.5233(4) 0.0397(14) Uani 1 1 d . A .
H17 H 0.5048 0.2839 0.4720 0.048 Uiso 1 1 calc R . .
C18 C 0.6200(9) 0.1353(4) 0.5569(5) 0.063(2) Uani 1 1 d . . .
H18 H 0.5340 0.1336 0.5042 0.076 Uiso 1 1 calc R A .
C19 C 0.7212(9) 0.0739(4) 0.5899(5) 0.064(2) Uani 1 1 d . A .
H19 H 0.7177 0.0214 0.5634 0.076 Uiso 1 1 calc R . .
C20 C 0.7939(7) 0.1763(4) 0.6813(4) 0.0429(15) Uani 1 1 d . . .
H20 H 0.8489 0.2096 0.7301 0.051 Uiso 1 1 calc R A .
O6 O 0.3811(8) 0.1634(5) 0.3455(4) 0.118(3) Uani 1 1 d . . .
H6D H 0.3888 0.1151 0.3698 0.177 Uiso 1 1 d RD . .
H6E H 0.2864 0.1742 0.3165 0.177 Uiso 1 1 d RD . .
O8 O 0.5000 0.7280(12) 0.7500 0.404 Uani 1 2 d SU . .
H8B H 0.5582 0.7540 0.7277 0.605 Uiso 0.50 1 d PR . .
H8C H 0.4722 0.7614 0.7831 0.605 Uiso 0.50 1 d PR . .
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
H7F O7 H7E 109.5 . .
O4 Co1 O4 89.9(8) . 2
O4 Co1 N1 123.8(6) . 2
O4 Co1 N1 109.8(3) 2 2
O4 Co1 N1 109.8(3) . .
O4 Co1 N1 123.8(6) 2 .
N1 Co1 N1 101.6(3) 2 .
O4 Co1 O3' 39.6(8) . .
O4 Co1 O3' 125.2(14) 2 .
N1 Co1 O3' 91.7(6) 2 .
N1 Co1 O3' 98.3(11) . .
O4 Co1 O3' 125.2(15) . 2
O4 Co1 O3' 39.6(8) 2 2
N1 Co1 O3' 98.3(11) 2 2
N1 Co1 O3' 91.7(6) . 2
O3' Co1 O3' 164(2) . 2
O4 Co1 O4' 27.2(9) . .
O4 Co1 O4' 87.8(8) 2 .
N1 Co1 O4' 148.6(9) 2 .
N1 Co1 O4' 88.6(15) . .
O3' Co1 O4' 57.2(8) . .
O3' Co1 O4' 111.2(14) 2 .
O4 Co1 O4' 87.8(8) . 2
O4 Co1 O4' 27.2(9) 2 2
N1 Co1 O4' 88.6(15) 2 2
N1 Co1 O4' 148.6(9) . 2
O3' Co1 O4' 111.2(14) . 2
O3' Co1 O4' 57.2(8) 2 2
O4' Co1 O4' 98(3) . 2
N4 Co2 N4 103.6(3) 2_756 .
N4 Co2 O2 102.9(2) 2_756 1_645
N4 Co2 O2 100.9(2) . 1_645
N4 Co2 O2 100.9(2) 2_756 2_646
N4 Co2 O2 102.9(2) . 2_646
O2 Co2 O2 141.0(3) 1_645 2_646
N4 Co2 O1 160.5(2) 2_756 1_645
N4 Co2 O1 89.37(19) . 1_645
O2 Co2 O1 59.80(19) 1_645 1_645
O2 Co2 O1 90.0(2) 2_646 1_645
N4 Co2 O1 89.37(19) 2_756 2_646
N4 Co2 O1 160.5(2) . 2_646
O2 Co2 O1 90.0(2) 1_645 2_646
O2 Co2 O1 59.80(19) 2_646 2_646
O1 Co2 O1 82.2(3) 1_645 2_646
N4 Co2 C1 132.2(2) 2_756 1_645
N4 Co2 C1 96.7(2) . 1_645
O2 Co2 C1 30.0(2) 1_645 1_645
O2 Co2 C1 116.1(2) 2_646 1_645
O1 Co2 C1 29.8(2) 1_645 1_645
O1 Co2 C1 84.7(2) 2_646 1_645
N4 Co2 C1 96.7(2) 2_756 2_646
N4 Co2 C1 132.2(2) . 2_646
O2 Co2 C1 116.1(2) 1_645 2_646
O2 Co2 C1 30.0(2) 2_646 2_646
O1 Co2 C1 84.7(2) 1_645 2_646
O1 Co2 C1 29.8(2) 2_646 2_646
C1 Co2 C1 100.7(3) 1_645 2_646
C1 O1 Co2 87.9(4) . 1_465
C1 O2 Co2 92.7(5) . 1_465
C8 O4 Co1 114.6(9) . .
C8 O4' Co1 87.7(18) . .
C8 O3' Co1 111(2) . .
C14 O5 C14 118.8(6) . 2_656
C9 N1 C11 105.4(5) . .
C9 N1 Co1 129.6(4) . .
C11 N1 Co1 125.0(4) . .
C9 N2 C10 104.2(5) . .
C9 N2 C12 128.2(5) . .
C10 N2 C12 127.6(5) . .
C20 N3 C18 106.1(5) . .
C20 N3 C16 127.2(5) . .
C18 N3 C16 126.7(5) . .
C20 N4 C19 104.7(5) . .
C20 N4 Co2 132.2(4) . .
C19 N4 Co2 122.7(4) . .
O1 C1 O2 119.5(6) . .
O1 C1 C2 119.5(6) . .
O2 C1 C2 121.0(7) . .
O1 C1 Co2 62.3(4) . 1_465
O2 C1 Co2 57.3(4) . 1_465
C2 C1 Co2 176.2(5) . 1_465
C3 C2 C7 110.8(7) . .
C3 C2 C1 112.2(6) . .
C7 C2 C1 110.7(6) . .
C3 C2 H2 107.7 . .
C7 C2 H2 107.7 . .
C1 C2 H2 107.7 . .
C2 C3 C4 112.8(7) . .
C2 C3 H3A 109.0 . .
C4 C3 H3A 109.0 . .
C2 C3 H3B 109.0 . .
C4 C3 H3B 109.0 . .
H3A C3 H3B 107.8 . .
C5 C4 C3 111.3(7) . .
C5 C4 H4A 109.4 . .
C3 C4 H4A 109.4 . .
C5 C4 H4B 109.4 . .
C3 C4 H4B 109.4 . .
H4A C4 H4B 108.0 . .
C6 C5 C4 111.0(7) . .
C6 C5 C8 111.2(7) . .
C4 C5 C8 111.8(7) . .
C6 C5 H5 107.5 . .
C4 C5 H5 107.5 . .
C8 C5 H5 107.5 . .
C5 C6 C7 112.5(6) . .
C5 C6 H6A 109.1 . .
C7 C6 H6A 109.1 . .
C5 C6 H6B 109.1 . .
C7 C6 H6B 109.1 . .
H6A C6 H6B 107.8 . .
C2 C7 C6 110.7(7) . .
C2 C7 H7A 109.5 . .
C6 C7 H7A 109.5 . .
C2 C7 H7B 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 108.1 . .
O3' C8 O4 80(2) . .
O3' C8 O3 48.4(19) . .
O4 C8 O3 123.6(12) . .
O3' C8 C5 145.3(17) . .
O4 C8 C5 120.1(10) . .
O3 C8 C5 115.9(13) . .
O3' C8 O4' 104.0(18) . .
O4 C8 O4' 39.0(18) . .
O3 C8 O4' 124.4(14) . .
C5 C8 O4' 108.9(13) . .
N1 C9 N2 112.5(5) . .
N1 C9 H9 123.7 . .
N2 C9 H9 123.7 . .
C11 C10 N2 109.9(7) . .
C11 C10 H10 125.1 . .
N2 C10 H10 125.1 . .
C10 C11 N1 108.0(6) . .
C10 C11 H11 126.0 . .
N1 C11 H11 126.0 . .
C17 C12 C13 121.4(5) . .
C17 C12 N2 118.4(5) . .
C13 C12 N2 120.2(5) . .
C12 C13 C14 118.9(5) . .
C12 C13 H13 120.5 . .
C14 C13 H13 120.5 . .
O5 C14 C13 117.3(5) . .
O5 C14 C15 122.0(5) . .
C13 C14 C15 120.7(5) . .
C16 C15 C14 118.9(5) . .
C16 C15 H15 120.5 . .
C14 C15 H15 120.5 . .
C15 C16 C17 121.5(6) . .
C15 C16 N3 119.8(5) . .
C17 C16 N3 118.6(5) . .
C12 C17 C16 118.6(6) . .
C12 C17 H17 120.7 . .
C16 C17 H17 120.7 . .
C19 C18 N3 107.1(6) . .
C19 C18 H18 126.5 . .
N3 C18 H18 126.5 . .
C18 C19 N4 110.0(6) . .
C18 C19 H19 125.0 . .
N4 C19 H19 125.0 . .
N4 C20 N3 112.2(6) . .
N4 C20 H20 123.9 . .
N3 C20 H20 123.9 . .
H6D O6 H6E 109.5 . .
H8B O8 H8C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O7 H7F 0.8501 .
O7 H7E 0.8499 .
Co1 O4 1.964(8) .
Co1 O4 1.964(8) 2
Co1 N1 2.039(5) 2
Co1 N1 2.039(5) .
Co1 O3' 2.13(2) .
Co1 O3' 2.13(2) 2
Co1 O4' 2.20(4) .
Co1 O4' 2.20(4) 2
Co2 N4 2.065(5) 2_756
Co2 N4 2.065(5) .
Co2 O2 2.106(5) 1_645
Co2 O2 2.106(5) 2_646
Co2 O1 2.215(5) 1_645
Co2 O1 2.215(4) 2_646
Co2 C1 2.501(7) 1_645
Co2 C1 2.501(7) 2_646
O1 C1 1.243(9) .
O1 Co2 2.215(4) 1_465
O2 C1 1.253(8) .
O2 Co2 2.106(5) 1_465
O3 C8 1.313(18) .
O4 C8 1.158(15) .
O4' C8 1.59(3) .
O3' C8 1.00(2) .
O5 C14 1.379(6) .
O5 C14 1.379(6) 2_656
N1 C9 1.310(7) .
N1 C11 1.358(9) .
N2 C9 1.332(7) .
N2 C10 1.346(8) .
N2 C12 1.427(7) .
N3 C20 1.340(7) .
N3 C18 1.365(8) .
N3 C16 1.426(7) .
N4 C20 1.305(7) .
N4 C19 1.380(8) .
C1 C2 1.507(9) .
C1 Co2 2.501(7) 1_465
C2 C3 1.479(10) .
C2 C7 1.497(10) .
C2 H2 0.9800 .
C3 C4 1.535(11) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C5 1.508(12) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.491(11) .
C5 C8 1.514(11) .
C5 H5 0.9800 .
C6 C7 1.527(10) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C9 H9 0.9300 .
C10 C11 1.320(9) .
C10 H10 0.9300 .
C11 H11 0.9300 .
C12 C17 1.373(8) .
C12 C13 1.382(8) .
C13 C14 1.386(8) .
C13 H13 0.9300 .
C14 C15 1.388(8) .
C15 C16 1.370(8) .
C15 H15 0.9300 .
C16 C17 1.390(8) .
C17 H17 0.9300 .
C18 C19 1.324(9) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 H20 0.9300 .
O6 H6D 0.8500 .
O6 H6E 0.8500 .
O8 H8B 0.8500 .
O8 H8C 0.8499 .
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
O4 Co1 O4 C8 -179.9(17) 2
N1 Co1 O4 C8 66.1(13) 2
N1 Co1 O4 C8 -53.7(15) .
O3' Co1 O4 C8 25.1(12) .
O3' Co1 O4 C8 -160.7(10) 2
O4' Co1 O4 C8 -95(2) .
O4' Co1 O4 C8 153(2) 2
O4 Co1 O4' C8 41.4(10) .
O4 Co1 O4' C8 136(3) 2
N1 Co1 O4' C8 10(4) 2
N1 Co1 O4' C8 -101(2) .
O3' Co1 O4' C8 0.2(11) .
O3' Co1 O4' C8 168.2(16) 2
O4' Co1 O4' C8 110(3) 2
O4 Co1 O3' C8 -28.5(18) .
O4 Co1 O3' C8 -60(4) 2
N1 Co1 O3' C8 -175(3) 2
N1 Co1 O3' C8 83(3) .
O3' Co1 O3' C8 -46(3) 2
O4' Co1 O3' C8 0(2) .
O4' Co1 O3' C8 -86(4) 2
O4 Co1 N1 C9 18.6(8) .
O4 Co1 N1 C9 122.4(6) 2
N1 Co1 N1 C9 -114.1(6) 2
O3' Co1 N1 C9 -20.6(9) .
O3' Co1 N1 C9 147.1(13) 2
O4' Co1 N1 C9 36.0(8) .
O4' Co1 N1 C9 139(3) 2
O4 Co1 N1 C11 -163.7(8) .
O4 Co1 N1 C11 -59.9(7) 2
N1 Co1 N1 C11 63.7(6) 2
O3' Co1 N1 C11 157.1(9) .
O3' Co1 N1 C11 -35.1(13) 2
O4' Co1 N1 C11 -146.3(8) .
O4' Co1 N1 C11 -43(3) 2
N4 Co2 N4 C20 -26.6(5) 2_756
O2 Co2 N4 C20 -132.9(6) 1_645
O2 Co2 N4 C20 78.2(6) 2_646
O1 Co2 N4 C20 168.1(6) 1_645
O1 Co2 N4 C20 104.0(8) 2_646
C1 Co2 N4 C20 -163.0(6) 1_645
C1 Co2 N4 C20 85.9(7) 2_646
N4 Co2 N4 C19 161.5(7) 2_756
O2 Co2 N4 C19 55.2(6) 1_645
O2 Co2 N4 C19 -93.7(6) 2_646
O1 Co2 N4 C19 -3.9(6) 1_645
O1 Co2 N4 C19 -68.0(9) 2_646
C1 Co2 N4 C19 25.1(6) 1_645
C1 Co2 N4 C19 -86.1(7) 2_646
Co2 O1 C1 O2 -2.9(6) 1_465
Co2 O1 C1 C2 176.2(6) 1_465
Co2 O2 C1 O1 3.1(7) 1_465
Co2 O2 C1 C2 -176.0(6) 1_465
O1 C1 C2 C3 -86.3(9) .
O2 C1 C2 C3 92.8(9) .
Co2 C1 C2 C3 31(9) 1_465
O1 C1 C2 C7 38.0(10) .
O2 C1 C2 C7 -142.8(7) .
Co2 C1 C2 C7 155(8) 1_465
C7 C2 C3 C4 55.5(11) .
C1 C2 C3 C4 179.7(8) .
C2 C3 C4 C5 -53.6(12) .
C3 C4 C5 C6 52.1(11) .
C3 C4 C5 C8 177.0(8) .
C4 C5 C6 C7 -54.4(11) .
C8 C5 C6 C7 -179.6(9) .
C3 C2 C7 C6 -55.9(10) .
C1 C2 C7 C6 179.0(7) .
C5 C6 C7 C2 56.3(11) .
Co1 O3' C8 O4 31.6(16) .
Co1 O3' C8 O3 -123(3) .
Co1 O3' C8 C5 162(2) .
Co1 O3' C8 O4' 0(2) .
Co1 O4 C8 O3' -35.7(17) .
Co1 O4 C8 O3 -13.3(17) .
Co1 O4 C8 C5 174.5(7) .
Co1 O4 C8 O4' 91.6(16) .
C6 C5 C8 O3' -81(5) .
C4 C5 C8 O3' 154(5) .
C6 C5 C8 O4 38.3(16) .
C4 C5 C8 O4 -86.4(14) .
C6 C5 C8 O3 -134.4(10) .
C4 C5 C8 O3 100.9(12) .
C6 C5 C8 O4' 80(2) .
C4 C5 C8 O4' -45(3) .
Co1 O4' C8 O3' 0(2) .
Co1 O4' C8 O4 -54.3(14) .
Co1 O4' C8 O3 48(2) .
Co1 O4' C8 C5 -169.2(8) .
C11 N1 C9 N2 -1.3(8) .
Co1 N1 C9 N2 176.7(4) .
C10 N2 C9 N1 2.5(8) .
C12 N2 C9 N1 180.0(6) .
C9 N2 C10 C11 -2.6(10) .
C12 N2 C10 C11 179.8(7) .
N2 C10 C11 N1 1.9(11) .
C9 N1 C11 C10 -0.4(9) .
Co1 N1 C11 C10 -178.6(6) .
C9 N2 C12 C17 169.2(6) .
C10 N2 C12 C17 -13.8(10) .
C9 N2 C12 C13 -9.5(9) .
C10 N2 C12 C13 167.5(7) .
C17 C12 C13 C14 0.1(9) .
N2 C12 C13 C14 178.8(5) .
C14 O5 C14 C13 142.8(6) 2_656
C14 O5 C14 C15 -39.0(5) 2_656
C12 C13 C14 O5 179.0(5) .
C12 C13 C14 C15 0.7(9) .
O5 C14 C15 C16 -179.4(5) .
C13 C14 C15 C16 -1.3(9) .
C14 C15 C16 C17 1.1(10) .
C14 C15 C16 N3 -175.2(5) .
C20 N3 C16 C15 -31.9(10) .
C18 N3 C16 C15 144.6(7) .
C20 N3 C16 C17 151.8(6) .
C18 N3 C16 C17 -31.7(10) .
C13 C12 C17 C16 -0.3(9) .
N2 C12 C17 C16 -179.0(6) .
C15 C16 C17 C12 -0.3(9) .
N3 C16 C17 C12 176.0(5) .
C20 N3 C18 C19 -0.3(9) .
C16 N3 C18 C19 -177.4(7) .
N3 C18 C19 N4 0.3(10) .
C20 N4 C19 C18 -0.2(9) .
Co2 N4 C19 C18 173.6(6) .
C19 N4 C20 N3 0.0(8) .
Co2 N4 C20 N3 -173.0(5) .
C18 N3 C20 N4 0.2(8) .
C16 N3 C20 N4 177.3(6) .
