#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:14:06 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179563 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/32/4503209.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_4503209
loop_
_publ_author_name
'Qi, Yan'
'Luo, Feng'
'Che, Yunxia'
'Zheng, Jimin'
_publ_section_title
;
 Hydrothermal Synthesis of Metal−Organic Frameworks Based on
 Aromatic Polycarboxylate and Flexible Bis(imidazole) Ligands
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              606
_journal_paper_doi               10.1021/cg700758c
_journal_volume                  8
_journal_year                    2008
_chemical_formula_sum            'C21 H22 Co N4 O6'
_chemical_formula_weight         485.36
_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                96.61(3)
_cell_angle_beta                 102.07(3)
_cell_angle_gamma                90.54(3)
_cell_formula_units_Z            2
_cell_length_a                   8.2544(17)
_cell_length_b                   10.044(2)
_cell_length_c                   12.819(3)
_cell_measurement_reflns_used    8135
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      3.19
_cell_volume                     1031.8(4)
_computing_cell_refinement       'RAXIS-RAPID Auto'
_computing_data_collection       'RAXIS-RAPID Auto'
_computing_data_reduction        'RAXIS-RAPID Auto'
_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_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'rigaku r-axis rapid IP area detector'
_diffrn_measurement_method       oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0482
_diffrn_reflns_av_sigmaI/netI    0.0642
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10196
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.19
_exptl_absorpt_coefficient_mu    0.880
_exptl_absorpt_correction_T_max  0.8253
_exptl_absorpt_correction_T_min  0.7441
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.562
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             502
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.503
_refine_diff_density_min         -0.485
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         4649
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0628
_refine_ls_R_factor_gt           0.0440
_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)+(0.0417P)²+0.5422P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0974
_refine_ls_wR_factor_ref         0.1062
_reflns_number_gt                3628
_reflns_number_total             4649
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg700758c-file003.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-Scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4503209
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6669(4) 0.8489(3) 0.2273(2) 0.0394(7) Uani 1 1 d . . .
H1 H 0.7251 0.8877 0.1830 0.047 Uiso 1 1 calc R . .
C2 C 0.4639(5) 0.7715(4) 0.2893(3) 0.0557(9) Uani 1 1 d . . .
H2 H 0.3588 0.7465 0.2974 0.067 Uiso 1 1 calc R . .
C3 C 0.6076(4) 0.7568(3) 0.3568(3) 0.0462(8) Uani 1 1 d . . .
H3 H 0.6186 0.7190 0.4207 0.055 Uiso 1 1 calc R . .
C4 C 0.3795(6) 0.8745(5) 0.1170(3) 0.0746(13) Uani 1 1 d . . .
H4A H 0.2713 0.8370 0.1184 0.090 Uiso 1 1 calc R . .
H4B H 0.3742 0.9713 0.1288 0.090 Uiso 1 1 calc R . .
C5 C 0.4131(7) 0.8371(7) 0.0100(4) 0.106(2) Uani 1 1 d . B .
H5A H 0.3304 0.8780 -0.0409 0.127 Uiso 1 1 calc R . .
H5B H 0.5196 0.8779 0.0090 0.127 Uiso 1 1 calc R . .
C6 C 0.4160(9) 0.6951(7) -0.0306(4) 0.126(3) Uani 1 1 d D . .
H6A H 0.3082 0.6610 -0.0252 0.151 Uiso 1 1 calc R A 1
H6B H 0.4940 0.6599 0.0264 0.151 Uiso 1 1 calc R A 1
C7 C 0.448(3) 0.6084(13) -0.1356(16) 0.177(9) Uani 0.461(19) 1 d PDU B 1
H7A H 0.5371 0.5485 -0.1136 0.213 Uiso 0.461(19) 1 calc PR B 1
H7B H 0.3495 0.5530 -0.1672 0.213 Uiso 0.461(19) 1 calc PR B 1
C8 C 0.485(3) 0.6692(15) -0.2074(11) 0.184(10) Uani 0.461(19) 1 d PDU B 1
H8A H 0.5840 0.7225 -0.1723 0.221 Uiso 0.461(19) 1 calc PR B 1
H8B H 0.3977 0.7327 -0.2225 0.221 Uiso 0.461(19) 1 calc PR B 1
C9 C 0.5156(5) 0.6164(4) -0.3143(3) 0.0609(10) Uani 1 1 d D . .
H9A H 0.6330 0.6195 -0.3145 0.073 Uiso 1 1 calc R B 1
H9B H 0.4726 0.5249 -0.3354 0.073 Uiso 1 1 calc R B 1
C10 C 0.2829(4) 0.6805(3) -0.4567(2) 0.0356(6) Uani 1 1 d . . .
H10 H 0.2285 0.5969 -0.4718 0.043 Uiso 1 1 calc R B .
C11 C 0.4663(4) 0.8400(3) -0.3855(3) 0.0466(8) Uani 1 1 d . . .
H11 H 0.5592 0.8879 -0.3440 0.056 Uiso 1 1 calc R B .
C12 C 0.3451(4) 0.8872(3) -0.4582(3) 0.0406(7) Uani 1 1 d . . .
H12 H 0.3409 0.9748 -0.4752 0.049 Uiso 1 1 calc R . .
C13 C 1.0071(3) 0.5688(2) 0.31057(18) 0.0239(5) Uani 1 1 d . . .
C14 C 1.0296(3) 0.4268(2) 0.26590(19) 0.0238(5) Uani 1 1 d . . .
C15 C 1.0401(4) 0.3944(2) 0.15938(19) 0.0284(6) Uani 1 1 d . . .
H15 H 1.0356 0.4615 0.1146 0.034 Uiso 1 1 calc R . .
C16 C 1.0575(4) 0.2617(2) 0.11956(19) 0.0270(6) Uani 1 1 d . . .
C17 C 1.0624(3) 0.1604(2) 0.18591(19) 0.0254(5) Uani 1 1 d . . .
H17 H 1.0704 0.0713 0.1586 0.030 Uiso 1 1 calc R . .
C18 C 1.0552(3) 0.1936(2) 0.29317(19) 0.0232(5) Uani 1 1 d . . .
C19 C 1.0410(3) 0.3264(2) 0.33322(19) 0.0237(5) Uani 1 1 d . . .
H19 H 1.0391 0.3484 0.4054 0.028 Uiso 1 1 calc R . .
C20 C 1.0632(3) 0.0858(2) 0.36741(19) 0.0237(5) Uani 1 1 d . . .
C21 C 1.0705(4) 0.2253(2) 0.0054(2) 0.0323(6) Uani 1 1 d . . .
C7' C 0.4355(19) 0.709(2) -0.1518(7) 0.130(7) Uani 0.539(19) 1 d PDU B 2
H7'1 H 0.3288 0.7330 -0.1918 0.156 Uiso 0.539(19) 1 calc PR B 2
H7'2 H 0.5122 0.7840 -0.1482 0.156 Uiso 0.539(19) 1 calc PR B 2
C8' C 0.4844(19) 0.6096(12) -0.2067(8) 0.106(5) Uani 0.539(19) 1 d PDU B 2
H8'1 H 0.4031 0.5371 -0.2134 0.127 Uiso 0.539(19) 1 calc PR B 2
H8'2 H 0.5864 0.5819 -0.1632 0.127 Uiso 0.539(19) 1 calc PR B 2
Co1 Co 0.98879(5) 0.80707(3) 0.39844(3) 0.02420(11) Uani 1 1 d . . .
H6 H 1.016(5) 0.306(4) -0.119(3) 0.071(13) Uiso 1 1 d . . .
N1 N 0.7364(3) 0.8052(2) 0.31845(18) 0.0321(5) Uani 1 1 d . . .
N2 N 0.5013(4) 0.8305(3) 0.2060(2) 0.0467(7) Uani 1 1 d . . .
N3 N 0.2282(3) 0.7870(2) -0.50373(18) 0.0335(5) Uani 1 1 d . . .
N4 N 0.4256(3) 0.7074(2) -0.3850(2) 0.0407(6) Uani 1 1 d . B .
O1 O 0.9592(3) 0.58951(16) 0.39734(13) 0.0294(4) Uani 1 1 d . . .
O2 O 1.0395(3) 0.66556(16) 0.26173(14) 0.0305(4) Uani 1 1 d . . .
O3 O 1.0909(3) 0.12331(17) 0.46609(13) 0.0315(4) Uani 1 1 d . . .
O4 O 1.0446(3) -0.03338(16) 0.32474(14) 0.0340(5) Uani 1 1 d . . .
O5 O 1.1194(3) 0.12151(19) -0.02925(16) 0.0491(6) Uani 1 1 d . . .
O6 O 1.0202(4) 0.3236(2) -0.05312(18) 0.0644(9) Uani 1 1 d . . .
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
N1 C1 N2 111.5(3) . .
N1 C1 H1 124.3 . .
N2 C1 H1 124.3 . .
C3 C2 N2 106.5(3) . .
C3 C2 H2 126.7 . .
N2 C2 H2 126.7 . .
C2 C3 N1 110.3(3) . .
C2 C3 H3 124.8 . .
N1 C3 H3 124.8 . .
C5 C4 N2 115.2(4) . .
C5 C4 H4A 108.5 . .
N2 C4 H4A 108.5 . .
C5 C4 H4B 108.5 . .
N2 C4 H4B 108.5 . .
H4A C4 H4B 107.5 . .
C6 C5 C4 119.4(5) . .
C6 C5 H5A 107.5 . .
C4 C5 H5A 107.5 . .
C6 C5 H5B 107.5 . .
C4 C5 H5B 107.5 . .
H5A C5 H5B 107.0 . .
C5 C6 C7 137.6(8) . .
C5 C6 C7' 99.6(8) . .
C7 C6 C7' 38.4(6) . .
C5 C6 H6A 102.7 . .
C7 C6 H6A 102.7 . .
C7' C6 H6A 114.6 . .
C5 C6 H6B 102.7 . .
C7 C6 H6B 102.7 . .
C7' C6 H6B 128.3 . .
H6A C6 H6B 105.0 . .
C8 C7 C6 117.9(12) . .
C8 C7 H7A 107.8 . .
C6 C7 H7A 107.8 . .
C8 C7 H7B 107.8 . .
C6 C7 H7B 107.8 . .
H7A C7 H7B 107.2 . .
C7 C8 C9 130.0(13) . .
C7 C8 H8A 104.8 . .
C9 C8 H8A 104.8 . .
C7 C8 H8B 104.8 . .
C9 C8 H8B 104.8 . .
H8A C8 H8B 105.8 . .
N4 C9 C8' 121.2(5) . .
N4 C9 C8 103.0(8) . .
C8' C9 C8 23.4(5) . .
N4 C9 H9A 111.2 . .
C8' C9 H9A 112.3 . .
C8 C9 H9A 111.2 . .
N4 C9 H9B 111.2 . .
C8' C9 H9B 89.6 . .
C8 C9 H9B 111.2 . .
H9A C9 H9B 109.1 . .
N3 C10 N4 112.1(3) . .
N3 C10 H10 123.9 . .
N4 C10 H10 123.9 . .
C12 C11 N4 106.3(3) . .
C12 C11 H11 126.8 . .
N4 C11 H11 126.8 . .
C11 C12 N3 110.2(3) . .
C11 C12 H12 124.9 . .
N3 C12 H12 124.9 . .
O1 C13 O2 121.0(2) . .
O1 C13 C14 118.8(2) . .
O2 C13 C14 120.2(2) . .
C15 C14 C19 119.7(2) . .
C15 C14 C13 121.2(2) . .
C19 C14 C13 119.1(2) . .
C14 C15 C16 120.0(2) . .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
C15 C16 C17 120.3(2) . .
C15 C16 C21 120.7(2) . .
C17 C16 C21 119.0(2) . .
C18 C17 C16 119.5(2) . .
C18 C17 H17 120.3 . .
C16 C17 H17 120.3 . .
C19 C18 C17 120.1(2) . .
C19 C18 C20 119.4(2) . .
C17 C18 C20 120.5(2) . .
C18 C19 C14 120.4(2) . .
C18 C19 H19 119.8 . .
C14 C19 H19 119.8 . .
O3 C20 O4 125.6(2) . .
O3 C20 C18 117.2(2) . .
O4 C20 C18 117.2(2) . .
O5 C21 O6 124.1(2) . .
O5 C21 C16 124.8(2) . .
O6 C21 C16 111.2(2) . .
C8' C7' C6 119.3(12) . .
C8' C7' H7'1 107.5 . .
C6 C7' H7'1 107.5 . .
C8' C7' H7'2 107.5 . .
C6 C7' H7'2 107.5 . .
H7'1 C7' H7'2 107.0 . .
C7' C8' C9 122.8(10) . .
C7' C8' H8'1 106.6 . .
C9 C8' H8'1 106.6 . .
C7' C8' H8'2 106.6 . .
C9 C8' H8'2 106.6 . .
H8'1 C8' H8'2 106.6 . .
O3 Co1 O4 109.01(7) 2_766 1_565
O3 Co1 N1 86.12(9) 2_766 .
O4 Co1 N1 91.51(9) 1_565 .
O3 Co1 N3 88.46(9) 2_766 1_656
O4 Co1 N3 98.03(9) 1_565 1_656
N1 Co1 N3 170.15(9) . 1_656
O3 Co1 O1 101.34(7) 2_766 .
O4 Co1 O1 149.49(7) 1_565 .
N1 Co1 O1 87.48(9) . .
N3 Co1 O1 85.54(9) 1_656 .
O3 Co1 O2 160.35(7) 2_766 .
O4 Co1 O2 90.12(7) 1_565 .
N1 Co1 O2 89.05(9) . .
N3 Co1 O2 93.35(9) 1_656 .
O1 Co1 O2 59.38(6) . .
C1 N1 C3 105.1(3) . .
C1 N1 Co1 130.5(2) . .
C3 N1 Co1 124.4(2) . .
C1 N2 C2 106.6(3) . .
C1 N2 C4 128.0(3) . .
C2 N2 C4 125.2(3) . .
C10 N3 C12 104.6(3) . .
C10 N3 Co1 126.6(2) . 1_454
C12 N3 Co1 127.64(19) . 1_454
C10 N4 C11 106.8(2) . .
C10 N4 C9 126.9(3) . .
C11 N4 C9 126.2(3) . .
C13 O1 Co1 90.95(14) . .
C13 O2 Co1 88.52(14) . .
C20 O3 Co1 151.0(2) . 2_766
C20 O4 Co1 125.07(16) . 1_545
C21 O6 H6 116(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.315(4) .
C1 N2 1.344(4) .
C1 H1 0.9300 .
C2 C3 1.334(5) .
C2 N2 1.367(4) .
C2 H2 0.9300 .
C3 N1 1.368(4) .
C3 H3 0.9300 .
C4 C5 1.463(6) .
C4 N2 1.468(4) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.463(8) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C7 1.589(11) .
C6 C7' 1.616(10) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.25(2) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C9 1.485(11) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 N4 1.460(4) .
C9 C8' 1.464(7) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 N3 1.325(3) .
C10 N4 1.337(4) .
C10 H10 0.9300 .
C11 C12 1.347(4) .
C11 N4 1.372(4) .
C11 H11 0.9300 .
C12 N3 1.376(4) .
C12 H12 0.9300 .
C13 O1 1.253(3) .
C13 O2 1.270(3) .
C13 C14 1.503(3) .
C14 C15 1.388(3) .
C14 C19 1.392(3) .
C15 C16 1.391(3) .
C15 H15 0.9300 .
C16 C17 1.395(3) .
C16 C21 1.493(3) .
C17 C18 1.391(3) .
C17 H17 0.9300 .
C18 C19 1.388(3) .
C18 C20 1.515(3) .
C19 H19 0.9300 .
C20 O3 1.250(3) .
C20 O4 1.251(3) .
C21 O5 1.193(3) .
C21 O6 1.325(3) .
C7' C8' 1.272(18) .
C7' H7'1 0.9700 .
C7' H7'2 0.9700 .
C8' H8'1 0.9700 .
C8' H8'2 0.9700 .
Co1 O3 2.0358(18) 2_766
Co1 O4 2.0467(17) 1_565
Co1 N1 2.120(3) .
Co1 N3 2.133(3) 1_656
Co1 O1 2.1947(17) .
Co1 O2 2.2384(18) .
N3 Co1 2.133(3) 1_454
O3 Co1 2.0358(18) 2_766
O4 Co1 2.0467(17) 1_545
O6 H6 0.84(4) .
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
N2 C2 C3 N1 0.0(4) . .
N2 C4 C5 C6 62.3(7) . .
C4 C5 C6 C7 -178.7(17) . .
C4 C5 C6 C7' 173.8(7) . .
C5 C6 C7 C8 2(4) . .
C7' C6 C7 C8 13.5(18) . .
C6 C7 C8 C9 -177.6(17) . .
C7 C8 C9 N4 136(3) . .
C7 C8 C9 C8' -7(2) . .
N4 C11 C12 N3 0.0(4) . .
O1 C13 C14 C15 163.2(3) . .
O2 C13 C14 C15 -18.2(4) . .
O1 C13 C14 C19 -17.2(4) . .
O2 C13 C14 C19 161.4(3) . .
C19 C14 C15 C16 1.7(4) . .
C13 C14 C15 C16 -178.7(3) . .
C14 C15 C16 C17 0.8(4) . .
C14 C15 C16 C21 -179.5(3) . .
C15 C16 C17 C18 -2.1(4) . .
C21 C16 C17 C18 178.1(3) . .
C16 C17 C18 C19 0.9(4) . .
C16 C17 C18 C20 -178.9(2) . .
C17 C18 C19 C14 1.6(4) . .
C20 C18 C19 C14 -178.5(2) . .
C15 C14 C19 C18 -2.9(4) . .
C13 C14 C19 C18 177.4(2) . .
C19 C18 C20 O3 -14.4(4) . .
C17 C18 C20 O3 165.5(3) . .
C19 C18 C20 O4 166.9(3) . .
C17 C18 C20 O4 -13.3(4) . .
C15 C16 C21 O5 163.6(3) . .
C17 C16 C21 O5 -16.7(5) . .
C15 C16 C21 O6 -16.6(4) . .
C17 C16 C21 O6 163.2(3) . .
C5 C6 C7' C8' 162.4(16) . .
C7 C6 C7' C8' -9.4(16) . .
C6 C7' C8' C9 -175.9(11) . .
N4 C9 C8' C7' -29(2) . .
C8 C9 C8' C7' 14(3) . .
N2 C1 N1 C3 -0.1(3) . .
N2 C1 N1 Co1 -178.94(18) . .
C2 C3 N1 C1 0.0(4) . .
C2 C3 N1 Co1 179.0(2) . .
O3 Co1 N1 C1 133.7(3) 2_766 .
O4 Co1 N1 C1 24.7(2) 1_565 .
N3 Co1 N1 C1 -169.6(4) 1_656 .
O1 Co1 N1 C1 -124.8(3) . .
O2 Co1 N1 C1 -65.4(2) . .
O3 Co1 N1 C3 -45.0(2) 2_766 .
O4 Co1 N1 C3 -153.9(2) 1_565 .
N3 Co1 N1 C3 11.8(6) 1_656 .
O1 Co1 N1 C3 56.6(2) . .
O2 Co1 N1 C3 116.0(2) . .
N1 C1 N2 C2 0.1(4) . .
N1 C1 N2 C4 175.0(3) . .
C3 C2 N2 C1 -0.1(4) . .
C3 C2 N2 C4 -175.2(3) . .
C5 C4 N2 C1 51.5(6) . .
C5 C4 N2 C2 -134.4(5) . .
N4 C10 N3 C12 0.1(3) . .
N4 C10 N3 Co1 -168.2(2) . 1_454
C11 C12 N3 C10 -0.1(4) . .
C11 C12 N3 Co1 168.1(2) . 1_454
N3 C10 N4 C11 -0.1(4) . .
N3 C10 N4 C9 176.2(3) . .
C12 C11 N4 C10 0.0(4) . .
C12 C11 N4 C9 -176.3(3) . .
C8' C9 N4 C10 -90.6(9) . .
C8 C9 N4 C10 -106.7(10) . .
C8' C9 N4 C11 85.0(9) . .
C8 C9 N4 C11 68.9(10) . .
O2 C13 O1 Co1 -3.6(3) . .
C14 C13 O1 Co1 175.0(2) . .
O3 Co1 O1 C13 177.95(16) 2_766 .
O4 Co1 O1 C13 3.7(3) 1_565 .
N1 Co1 O1 C13 92.42(16) . .
N3 Co1 O1 C13 -94.52(17) 1_656 .
O2 Co1 O1 C13 2.04(15) . .
O1 C13 O2 Co1 3.5(3) . .
C14 C13 O2 Co1 -175.1(2) . .
O3 Co1 O2 C13 -14.0(3) 2_766 .
O4 Co1 O2 C13 178.85(16) 1_565 .
N1 Co1 O2 C13 -89.64(17) . .
N3 Co1 O2 C13 80.80(17) 1_656 .
O1 Co1 O2 C13 -2.01(15) . .
O4 C20 O3 Co1 -97.5(4) . 2_766
C18 C20 O3 Co1 83.8(4) . 2_766
O3 C20 O4 Co1 18.4(4) . 1_545
C18 C20 O4 Co1 -162.95(17) . 1_545
