#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:36:11 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179903 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/99/7019983.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_7019983
loop_
_publ_author_name
'Wang, Xiu-Li'
'Mu, Bao'
'Lin, Hong-Yan'
'Yang, Song'
'Liu, Guo-Cheng'
'Tian, Ai-Xiang'
'Zhang, Ju-Wen'
_publ_section_title
;
 Assembly and properties of transition-metal coordination polymers based
 on semi-rigid bis-pyridyl-bis-amide ligand: effect of polycarboxylates on
 the dimensionality.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11074
_journal_page_last               11084
_journal_paper_doi               10.1039/c2dt30907f
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C26 H23 Co N5 O8, 2(H2 O)'
_chemical_formula_sum            'C26 H27 Co N5 O10'
_chemical_formula_weight         628.46
_chemical_name_systematic
;
?
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.956(5)
_cell_length_b                   18.701(7)
_cell_length_c                   12.306(5)
_cell_measurement_reflns_used    2364
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20.9272
_cell_measurement_theta_min      2.3751
_cell_volume                     2751.5(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0608
_diffrn_reflns_av_sigmaI/netI    0.0435
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            21070
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    0.690
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1300
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.570
_refine_diff_density_min         -0.408
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     239
_refine_ls_number_reflns         3507
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0849
_refine_ls_R_factor_gt           0.0473
_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)+(0.0453P)²+1.8373P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1062
_refine_ls_wR_factor_ref         0.1235
_reflns_number_gt                2269
_reflns_number_total             3518
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30907f.txt
_cod_data_source_block           Complex4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2751.5(18)
_cod_database_code               7019983
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, 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 0.4411(3) 0.7500 0.7045(3) 0.0416(9) Uani 1 2 d S . .
C2 C 0.4242(3) 0.7500 0.5830(3) 0.0342(8) Uani 1 2 d S A .
C3 C 0.2932(3) 0.7500 0.4338(3) 0.0545(11) Uani 1 2 d S . .
H3 H 0.2196 0.7500 0.4092 0.065 Uiso 1 2 calc SR . .
C4 C 0.3162(3) 0.7500 0.5434(3) 0.0472(10) Uani 1 2 d S . .
H4 H 0.2570 0.7500 0.5924 0.057 Uiso 1 2 calc SR . .
C5 C 0.4882(3) 0.7500 0.4005(3) 0.0451(9) Uani 1 2 d S A .
C6 C 0.3805(3) 0.7500 0.3612(3) 0.0514(11) Uani 1 2 d S . .
H6 H 0.3670 0.7500 0.2868 0.062 Uiso 1 2 calc SR . .
C7 C 0.5139(3) 0.7500 0.5108(3) 0.0423(9) Uani 1 2 d S . .
C8A C 0.6310(12) 0.7776(13) 0.5525(10) 0.036(5) Uiso 0.30(4) 1 d P A -2
C8B C 0.6358(14) 0.7376 0.5514(11) 0.024(8) Uiso 0.20(4) 1 d P . -1
C9 C 0.5347(2) 0.64539(14) 0.9684(2) 0.0400(6) Uani 1 1 d . . .
H9 H 0.5740 0.6689 0.9138 0.048 Uiso 1 1 calc R . .
C10 C 0.5883(2) 0.59207(14) 1.0263(2) 0.0388(6) Uani 1 1 d . . .
C11 C 0.7775(2) 0.54537(17) 1.0631(2) 0.0505(7) Uani 1 1 d . . .
C12 C 0.8936(2) 0.53810(18) 1.0135(2) 0.0542(8) Uani 1 1 d . . .
H12 H 0.9059 0.5787 0.9646 0.065 Uiso 1 1 calc R . .
C13 C 0.9828(2) 0.5398(2) 1.1006(3) 0.0618(9) Uani 1 1 d . . .
H13A H 0.9684 0.5022 1.1531 0.074 Uiso 1 1 calc R . .
H13B H 0.9796 0.5853 1.1385 0.074 Uiso 1 1 calc R . .
C14 C 0.9003(2) 0.4703(2) 0.9477(3) 0.0636(9) Uani 1 1 d . . .
H14A H 0.8457 0.4721 0.8894 0.076 Uiso 1 1 calc R . .
H14B H 0.8823 0.4298 0.9936 0.076 Uiso 1 1 calc R . .
C15 C 0.5293(2) 0.55692(16) 1.1070(2) 0.0484(7) Uani 1 1 d . . .
H15 H 0.5626 0.5209 1.1477 0.058 Uiso 1 1 calc R . .
C16 C 0.4199(2) 0.57660(18) 1.1256(2) 0.0537(8) Uani 1 1 d . . .
H16 H 0.3784 0.5535 1.1790 0.064 Uiso 1 1 calc R . .
C17 C 0.3725(2) 0.62990(16) 1.0660(2) 0.0473(7) Uani 1 1 d . . .
H17 H 0.2987 0.6427 1.0800 0.057 Uiso 1 1 calc R . .
N1 N 0.42833(16) 0.66457(12) 0.98772(18) 0.0401(5) Uani 1 1 d . . .
N2 N 0.70009(17) 0.57643(12) 0.99837(18) 0.0444(6) Uani 1 1 d . . .
H2 H 0.7211 0.5878 0.9338 0.053 Uiso 1 1 calc R . .
N3 N 0.5786(3) 0.7500 0.3185(3) 0.0744(13) Uani 1 2 d S . .
O1 O 0.3517(3) 0.7500 0.7598(2) 0.0741(10) Uani 1 2 d S . .
O2 O 0.5320(3) 0.7500 0.7455(3) 0.0892(12) Uani 1 2 d S . .
O3 O 0.7010(3) 0.7799(3) 0.5384(4) 0.0612(13) Uani 0.51 1 d P . -1
O3' O 0.6566(4) 0.8291(2) 0.5917(3) 0.0529(10) Uani 0.49 1 d P A -2
O4 O 0.75583(17) 0.52506(15) 1.15557(18) 0.0752(8) Uani 1 1 d . . .
O5A O 0.5531(4) 0.7683(3) 0.2270(4) 0.059(2) Uiso 0.368(7) 1 d P A -2
O5B O 0.5897(15) 0.6942 0.2571(15) 0.061(6) Uiso 0.132(7) 1 d P A -1
O6 O 0.6488(10) 0.8074(6) 0.3270(11) 0.057(3) Uani 0.31 1 d P A -1
O6' O 0.6715(17) 0.7726(8) 0.3410(17) 0.055(7) Uani 0.19 1 d P A -2
Co1 Co 0.35280(4) 0.7500 0.91468(4) 0.03699(16) Uani 1 2 d S . .
O1W O 0.7377(4) 0.60304(16) 0.7770(2) 0.1124(11) Uani 1 1 d G . .
H1WA H 0.7361 0.5647 0.7400 0.135 Uiso 1 1 d G . .
H1WB H 0.7158 0.6378 0.7379 0.135 Uiso 1 1 d G . .
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
O2 C1 O1 122.6(4) . .
O2 C1 C2 122.6(4) . .
O1 C1 C2 114.8(3) . .
C4 C2 C7 119.7(3) . .
C4 C2 C1 118.3(3) . .
C7 C2 C1 121.9(3) . .
C6 C3 C4 119.0(4) . .
C6 C3 H3 120.5 . .
C4 C3 H3 120.5 . .
C3 C4 C2 122.2(4) . .
C3 C4 H4 118.9 . .
C2 C4 H4 118.9 . .
C6 C5 C7 123.4(4) . .
C6 C5 N3 116.4(3) . .
C7 C5 N3 120.3(3) . .
C3 C6 C5 118.9(4) . .
C3 C6 H6 120.6 . .
C5 C6 H6 120.6 . .
C5 C7 C2 116.8(3) . .
C5 C7 C8B 121.3(6) . .
C2 C7 C8B 121.1(6) . .
C5 C7 C8B 121.3(6) . 8_575
C2 C7 C8B 121.1(6) . 8_575
C8B C7 C8B 17.18(18) . 8_575
C5 C7 C8A 120.9(6) . .
C2 C7 C8A 118.4(6) . .
C8B C7 C8A 27.7(9) . .
C8B C7 C8A 10.6(9) 8_575 .
C5 C7 C8A 120.9(6) . 8_575
C2 C7 C8A 118.4(6) . 8_575
C8B C7 C8A 10.6(9) . 8_575
C8B C7 C8A 27.7(9) 8_575 8_575
C8A C7 C8A 38.2(18) . 8_575
O3' C8A C7 131.6(16) . .
O3 C8B C7 119.9(7) . .
N1 C9 C10 122.7(2) . .
N1 C9 H9 118.6 . .
C10 C9 H9 118.6 . .
C9 C10 C15 118.4(2) . .
C9 C10 N2 117.6(2) . .
C15 C10 N2 124.0(2) . .
O4 C11 N2 122.3(3) . .
O4 C11 C12 122.4(3) . .
N2 C11 C12 115.2(2) . .
C14 C12 C13 111.2(3) . .
C14 C12 C11 109.8(3) . .
C13 C12 C11 110.9(2) . .
C14 C12 H12 108.3 . .
C13 C12 H12 108.3 . .
C11 C12 H12 108.3 . .
C12 C13 C14 111.5(3) . 5_767
C12 C13 H13A 109.3 . .
C14 C13 H13A 109.3 5_767 .
C12 C13 H13B 109.3 . .
C14 C13 H13B 109.3 5_767 .
H13A C13 H13B 108.0 . .
C12 C14 C13 111.2(3) . 5_767
C12 C14 H14A 109.4 . .
C13 C14 H14A 109.4 5_767 .
C12 C14 H14B 109.4 . .
C13 C14 H14B 109.4 5_767 .
H14A C14 H14B 108.0 . .
C16 C15 C10 118.5(3) . .
C16 C15 H15 120.8 . .
C10 C15 H15 120.8 . .
C17 C16 C15 120.1(3) . .
C17 C16 H16 120.0 . .
C15 C16 H16 120.0 . .
N1 C17 C16 122.3(2) . .
N1 C17 H17 118.8 . .
C16 C17 H17 118.8 . .
C17 N1 C9 118.1(2) . .
C17 N1 Co1 118.32(17) . .
C9 N1 Co1 123.34(18) . .
C11 N2 C10 126.4(2) . .
C11 N2 H2 116.8 . .
C10 N2 H2 116.8 . .
O5A N3 O5A 32.7(6) . 8_575
O5A N3 O6' 109.9(10) . .
O5A N3 O6' 122.4(11) 8_575 .
O5A N3 O6' 122.4(11) . 8_575
O5A N3 O6' 109.9(10) 8_575 8_575
O6' N3 O6' 40.4(14) . 8_575
O5A N3 O5B 42.1(7) . 8_575
O5A N3 O5B 73.3(9) 8_575 8_575
O6' N3 O5B 76.1(11) . 8_575
O6' N3 O5B 108.5(13) 8_575 8_575
O5A N3 O5B 73.3(9) . .
O5A N3 O5B 42.1(7) 8_575 .
O6' N3 O5B 108.5(13) . .
O6' N3 O5B 76.1(11) 8_575 .
O5B N3 O5B 107.3(13) 8_575 .
O5A N3 O6 116.5(7) . 8_575
O5A N3 O6 90.2(6) 8_575 8_575
O6' N3 O6 72.2(10) . 8_575
O6' N3 O6 32.0(7) 8_575 8_575
O5B N3 O6 127.9(10) 8_575 8_575
O5B N3 O6 49.4(9) . 8_575
O5A N3 O6 90.2(6) . .
O5A N3 O6 116.5(7) 8_575 .
O6' N3 O6 32.0(7) . .
O6' N3 O6 72.2(10) 8_575 .
O5B N3 O6 49.4(9) 8_575 .
O5B N3 O6 127.9(10) . .
O6 N3 O6 103.5(9) 8_575 .
O5A N3 C5 116.7(4) . .
O5A N3 C5 116.7(4) 8_575 .
O6' N3 C5 120.7(10) . .
O6' N3 C5 120.7(10) 8_575 .
O5B N3 C5 118.3(7) 8_575 .
O5B N3 C5 118.3(7) . .
O6 N3 C5 113.4(6) 8_575 .
O6 N3 C5 113.4(6) . .
C1 O1 Co1 122.1(3) . .
C8B O3 Co1 113.3(8) . 6_657
O1 Co1 O3 106.52(17) . 6_557
O1 Co1 O3 106.52(17) . 3_466
O3 Co1 O3 32.7(3) 6_557 3_466
O1 Co1 N1 116.29(8) . .
O3 Co1 N1 119.77(17) 6_557 .
O3 Co1 N1 93.20(14) 3_466 .
O1 Co1 N1 116.29(8) . 8_575
O3 Co1 N1 93.20(14) 6_557 8_575
O3 Co1 N1 119.77(17) 3_466 8_575
N1 Co1 N1 102.85(13) . 8_575
H1WA O1W H1WB 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 1.199(5) .
C1 O1 1.268(5) .
C1 C2 1.509(5) .
C2 C4 1.380(5) .
C2 C7 1.392(5) .
C3 C6 1.374(6) .
C3 C4 1.377(6) .
C3 H3 0.9300 .
C4 H4 0.9300 .
C5 C6 1.375(5) .
C5 C7 1.392(5) .
C5 N3 1.478(5) .
C6 H6 0.9300 .
C7 C8B 1.557(16) .
C7 C8B 1.557(16) 8_575
C7 C8A 1.578(15) .
C7 C8A 1.578(15) 8_575
C8A O3' 1.12(2) .
C8B O3 1.123(12) .
C9 N1 1.343(3) .
C9 C10 1.383(4) .
C9 H9 0.9300 .
C10 C15 1.385(4) .
C10 N2 1.410(3) .
C11 O4 1.227(3) .
C11 N2 1.352(3) .
C11 C12 1.523(4) .
C12 C14 1.506(4) .
C12 C13 1.513(4) .
C12 H12 0.9800 .
C13 C14 1.531(4) 5_767
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C13 1.531(4) 5_767
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.377(4) .
C15 H15 0.9300 .
C16 C17 1.362(4) .
C16 H16 0.9300 .
C17 N1 1.339(3) .
C17 H17 0.9300 .
N1 Co1 2.044(2) .
N2 H2 0.8600 .
N3 O5A 1.217(6) .
N3 O5A 1.217(6) 8_575
N3 O6' 1.22(2) .
N3 O6' 1.22(2) 8_575
N3 O5B 1.295(11) 8_575
N3 O5B 1.295(11) .
N3 O6 1.367(13) 8_575
N3 O6 1.367(13) .
O1 Co1 1.905(3) .
O3 Co1 1.985(4) 6_657
Co1 O3 1.985(4) 6_557
Co1 O3 1.985(4) 3_466
Co1 N1 2.044(2) 8_575
O1W H1WA 0.8501 .
O1W H1WB 0.8499 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 O1W 0.86 1.96 2.805(3) 167.1 .
O1W H1WA O4 0.85 1.98 2.825(4) 175.9 2_664
O1W H1WB O3' 0.85 2.03 2.785(5) 147.5 8_575
O1W H1WB O1 0.85 2.65 3.101(4) 114.2 6_657
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 C4 180.0 . .
O1 C1 C2 C4 0.000(1) . .
O2 C1 C2 C7 0.000(1) . .
O1 C1 C2 C7 180.0 . .
C6 C3 C4 C2 0.000(1) . .
C7 C2 C4 C3 0.0 . .
C1 C2 C4 C3 180.000(1) . .
C4 C3 C6 C5 0.000(1) . .
C7 C5 C6 C3 0.000(2) . .
N3 C5 C6 C3 180.0 . .
C6 C5 C7 C2 0.000(1) . .
N3 C5 C7 C2 180.0 . .
C6 C5 C7 C8B 169.93(13) . .
N3 C5 C7 C8B -10.07(13) . .
C6 C5 C7 C8B -169.93(13) . 8_575
N3 C5 C7 C8B 10.07(13) . 8_575
C6 C5 C7 C8A -157.6(10) . .
N3 C5 C7 C8A 22.4(10) . .
C6 C5 C7 C8A 157.6(10) . 8_575
N3 C5 C7 C8A -22.4(10) . 8_575
C4 C2 C7 C5 0.0 . .
C1 C2 C7 C5 180.0 . .
C4 C2 C7 C8B -169.96(12) . .
C1 C2 C7 C8B 10.04(12) . .
C4 C2 C7 C8B 169.96(12) . 8_575
C1 C2 C7 C8B -10.04(12) . 8_575
C4 C2 C7 C8A 158.1(10) . .
C1 C2 C7 C8A -21.9(10) . .
C4 C2 C7 C8A -158.1(10) . 8_575
C1 C2 C7 C8A 21.9(10) . 8_575
C5 C7 C8A O3' 102.6(14) . .
C2 C7 C8A O3' -54.7(18) . .
C8B C7 C8A O3' -158(3) . .
C8B C7 C8A O3' -162(6) 8_575 .
C8A C7 C8A O3' -155.5(14) 8_575 .
C5 C7 C8B O3 70.8(10) . .
C2 C7 C8B O3 -119.7(11) . .
C8B C7 C8B O3 -24.5(12) 8_575 .
C8A C7 C8B O3 -27.0(11) . .
C8A C7 C8B O3 162(6) 8_575 .
N1 C9 C10 C15 0.4(4) . .
N1 C9 C10 N2 179.8(2) . .
O4 C11 C12 C14 94.9(4) . .
N2 C11 C12 C14 -85.7(3) . .
O4 C11 C12 C13 -28.4(5) . .
N2 C11 C12 C13 151.0(3) . .
C14 C12 C13 C14 55.3(4) . 5_767
C11 C12 C13 C14 177.8(3) . 5_767
C13 C12 C14 C13 -55.2(4) . 5_767
C11 C12 C14 C13 -178.3(3) . 5_767
C9 C10 C15 C16 0.1(4) . .
N2 C10 C15 C16 -179.2(3) . .
C10 C15 C16 C17 -0.5(5) . .
C15 C16 C17 N1 0.4(5) . .
C16 C17 N1 C9 0.1(4) . .
C16 C17 N1 Co1 -174.0(2) . .
C10 C9 N1 C17 -0.5(4) . .
C10 C9 N1 Co1 173.26(19) . .
O4 C11 N2 C10 2.2(5) . .
C12 C11 N2 C10 -177.2(3) . .
C9 C10 N2 C11 156.8(3) . .
C15 C10 N2 C11 -23.8(4) . .
C6 C5 N3 O5A 18.4(3) . .
C7 C5 N3 O5A -161.6(3) . .
C6 C5 N3 O5A -18.4(3) . 8_575
C7 C5 N3 O5A 161.6(3) . 8_575
C6 C5 N3 O6' 156.3(8) . .
C7 C5 N3 O6' -23.7(8) . .
C6 C5 N3 O6' -156.3(8) . 8_575
C7 C5 N3 O6' 23.7(8) . 8_575
C6 C5 N3 O5B 66.1(10) . 8_575
C7 C5 N3 O5B -113.9(10) . 8_575
C6 C5 N3 O5B -66.1(10) . .
C7 C5 N3 O5B 113.9(10) . .
C6 C5 N3 O6 -121.2(6) . 8_575
C7 C5 N3 O6 58.8(6) . 8_575
C6 C5 N3 O6 121.2(6) . .
C7 C5 N3 O6 -58.8(6) . .
O2 C1 O1 Co1 0.000(1) . .
C2 C1 O1 Co1 180.000(2) . .
C7 C8B O3 Co1 -175.3(7) . 6_657
C1 O1 Co1 O3 162.90(15) . 6_557
C1 O1 Co1 O3 -162.90(15) . 3_466
C1 O1 Co1 N1 -60.69(8) . .
C1 O1 Co1 N1 60.69(8) . 8_575
C17 N1 Co1 O1 -129.8(2) . .
C9 N1 Co1 O1 56.5(2) . .
C17 N1 Co1 O3 0.6(3) . 6_557
C9 N1 Co1 O3 -173.1(2) . 6_557
C17 N1 Co1 O3 -19.6(3) . 3_466
C9 N1 Co1 O3 166.7(3) . 3_466
C17 N1 Co1 N1 101.9(2) . 8_575
C9 N1 Co1 N1 -71.8(2) . 8_575
