#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:50:37 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179992 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/86/7028626.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_7028626
loop_
_publ_author_name
'Yang, Peng'
'Wang, Meng-Si'
'Shen, Jin-Jin'
'Li, Ming-Xing'
'Wang, Zhao-Xi'
'Shao, Min'
'He, Xiang'
_publ_section_title
;
 Seven novel coordination polymers constructed by rigid
 4-(4-carboxyphenyl)-terpyridine ligands: synthesis, structural diversity,
 luminescence and magnetic properties.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1460
_journal_page_last               1470
_journal_paper_doi               10.1039/c3dt52500g
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C44 H28 Co N6 O4'
_chemical_formula_weight         763.65
_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                 105.539(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4561(8)
_cell_length_b                   20.5600(18)
_cell_length_c                   19.4800(15)
_cell_measurement_reflns_used    2480
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.10
_cell_measurement_theta_min      2.24
_cell_volume                     3648.8(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-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0605
_diffrn_reflns_av_sigmaI/netI    0.0875
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            22740
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    0.524
_exptl_absorpt_correction_T_max  0.9255
_exptl_absorpt_correction_T_min  0.9024
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1572
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.291
_refine_diff_density_min         -0.377
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.236
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         8367
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.236
_refine_ls_R_factor_all          0.1174
_refine_ls_R_factor_gt           0.0524
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0100P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0709
_refine_ls_wR_factor_ref         0.0814
_reflns_number_gt                4631
_reflns_number_total             8367
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52500g.txt
_cod_data_source_block           added_by_encifer
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/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 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7028626
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 -0.36577(4) -0.490006(17) 0.431540(18) 0.03303(11) Uani 1 1 d .
O1 O -0.2158(2) -0.44216(9) 0.38438(10) 0.0559(6) Uani 1 1 d .
O2 O -0.3849(2) -0.49855(10) 0.31074(10) 0.0652(6) Uani 1 1 d .
O3 O -0.26525(18) -0.46511(8) 0.53392(9) 0.0379(5) Uani 1 1 d .
O4 O -0.5507(2) -0.54113(8) 0.41514(9) 0.0421(5) Uani 1 1 d .
N1 N 0.2420(2) -0.07804(10) 0.05032(11) 0.0345(6) Uani 1 1 d .
N2 N -0.5420(4) -0.3104(2) -0.25015(19) 0.1017(13) Uani 1 1 d .
N3 N -0.1367(3) -0.25225(11) -0.03498(12) 0.0471(7) Uani 1 1 d .
N4 N -0.4934(3) -0.40075(10) 0.41635(12) 0.0419(6) Uani 1 1 d .
N5 N -0.7637(5) -0.06959(18) 0.68299(16) 0.1121(13) Uani 1 1 d .
N6 N -0.7405(3) -0.19906(11) 0.46901(12) 0.0491(7) Uani 1 1 d .
C1 C 0.2787(3) -0.12939(13) 0.09388(13) 0.0403(7) Uani 1 1 d .
H1 H 0.3672 -0.1280 0.1291 0.048 Uiso 1 1 calc R
C2 C 0.1926(3) -0.18396(13) 0.08923(13) 0.0422(8) Uani 1 1 d .
H2 H 0.2226 -0.2181 0.1211 0.051 Uiso 1 1 calc R
C3 C 0.0610(3) -0.18783(13) 0.03684(14) 0.0356(7) Uani 1 1 d .
C4 C 0.0243(3) -0.13561(13) -0.00957(13) 0.0400(8) Uani 1 1 d .
H4 H -0.0616 -0.1366 -0.0465 0.048 Uiso 1 1 calc R
C5 C 0.1154(3) -0.08255(13) -0.00073(13) 0.0408(7) Uani 1 1 d .
H5 H 0.0876 -0.0478 -0.0319 0.049 Uiso 1 1 calc R
C6 C -0.0453(3) -0.24173(13) 0.03051(15) 0.0398(7) Uani 1 1 d .
C7 C -0.0582(3) -0.27707(13) 0.08954(14) 0.0476(8) Uani 1 1 d .
H7 H 0.0067 -0.2695 0.1340 0.057 Uiso 1 1 calc R
C8 C -0.1676(3) -0.32356(14) 0.08219(15) 0.0476(8) Uani 1 1 d .
C9 C -0.2607(3) -0.33299(13) 0.01530(15) 0.0488(9) Uani 1 1 d .
H9 H -0.3357 -0.3635 0.0088 0.059 Uiso 1 1 calc R
C10 C -0.2439(3) -0.29770(14) -0.04223(15) 0.0450(8) Uani 1 1 d .
C11 C -0.3474(3) -0.30412(15) -0.11439(16) 0.0491(8) Uani 1 1 d .
C12 C -0.4408(4) -0.35606(17) -0.13483(17) 0.0664(10) Uani 1 1 d .
H12 H -0.4408 -0.3900 -0.1033 0.080 Uiso 1 1 calc R
C13 C -0.5359(4) -0.3573(2) -0.2036(2) 0.0846(13) Uani 1 1 d .
H13 H -0.5977 -0.3930 -0.2170 0.101 Uiso 1 1 calc R
C14 C -0.4527(6) -0.2617(2) -0.2296(2) 0.1124(18) Uani 1 1 d .
H14 H -0.4558 -0.2282 -0.2621 0.135 Uiso 1 1 calc R
C15 C -0.3543(4) -0.25597(16) -0.16382(17) 0.0802(12) Uani 1 1 d .
H15 H -0.2930 -0.2199 -0.1529 0.096 Uiso 1 1 calc R
C16 C -0.1889(3) -0.36100(15) 0.14392(15) 0.0534(9) Uani 1 1 d .
C17 C -0.1268(4) -0.34188(17) 0.21198(17) 0.0786(12) Uani 1 1 d .
H17 H -0.0672 -0.3052 0.2202 0.094 Uiso 1 1 calc R
C18 C -0.1503(4) -0.37582(17) 0.26968(16) 0.0721(11) Uani 1 1 d .
H18 H -0.1030 -0.3623 0.3157 0.087 Uiso 1 1 calc R
C19 C -0.2402(3) -0.42796(14) 0.26046(15) 0.0465(8) Uani 1 1 d .
C20 C -0.3008(5) -0.44766(19) 0.19294(18) 0.1189(18) Uani 1 1 d .
H20 H -0.3616 -0.4840 0.1848 0.143 Uiso 1 1 calc R
C21 C -0.2743(5) -0.41499(19) 0.13561(17) 0.126(2) Uani 1 1 d .
H21 H -0.3164 -0.4305 0.0898 0.151 Uiso 1 1 calc R
C22 C -0.2816(3) -0.45925(15) 0.32225(16) 0.0465(8) Uani 1 1 d .
C23 C -0.4570(3) -0.35185(14) 0.46318(14) 0.0465(8) Uani 1 1 d .
H23 H -0.3694 -0.3551 0.4989 0.056 Uiso 1 1 calc R
C24 C -0.5409(3) -0.29757(13) 0.46150(14) 0.0466(8) Uani 1 1 d .
H24 H -0.5115 -0.2660 0.4966 0.056 Uiso 1 1 calc R
C25 C -0.6693(3) -0.28916(14) 0.40803(14) 0.0410(8) Uani 1 1 d .
C26 C -0.7069(3) -0.33849(14) 0.35805(14) 0.0487(8) Uani 1 1 d .
H26 H -0.7912 -0.3352 0.3204 0.058 Uiso 1 1 calc R
C27 C -0.6176(3) -0.39283(14) 0.36464(14) 0.0473(8) Uani 1 1 d .
H27 H -0.6459 -0.4258 0.3311 0.057 Uiso 1 1 calc R
C28 C -0.7571(3) -0.22934(14) 0.40587(15) 0.0426(8) Uani 1 1 d .
C29 C -0.8482(3) -0.20434(14) 0.34343(14) 0.0463(8) Uani 1 1 d .
H29 H -0.8560 -0.2256 0.3004 0.056 Uiso 1 1 calc R
C30 C -0.9273(3) -0.14802(14) 0.34471(15) 0.0446(8) Uani 1 1 d .
C31 C -0.9124(3) -0.11878(14) 0.41035(14) 0.0496(8) Uani 1 1 d .
H31 H -0.9654 -0.0813 0.4135 0.059 Uiso 1 1 calc R
C32 C -0.8190(3) -0.14499(15) 0.47126(15) 0.0500(8) Uani 1 1 d .
C33 C -0.7982(4) -0.11629(15) 0.54319(16) 0.0607(10) Uani 1 1 d .
C34 C -0.6829(4) -0.13447(19) 0.59824(18) 0.1027(15) Uani 1 1 d .
H34 H -0.6135 -0.1637 0.5907 0.123 Uiso 1 1 calc R
C35 C -0.6695(5) -0.1092(2) 0.6656(2) 0.138(2) Uani 1 1 d .
H35 H -0.5871 -0.1213 0.7015 0.165 Uiso 1 1 calc R
C36 C -0.8766(5) -0.05271(17) 0.6302(2) 0.0946(14) Uani 1 1 d .
H36 H -0.9461 -0.0248 0.6400 0.114 Uiso 1 1 calc R
C37 C -0.8977(4) -0.07446(16) 0.56011(18) 0.0800(12) Uani 1 1 d .
H37 H -0.9792 -0.0606 0.5248 0.096 Uiso 1 1 calc R
C38 C -1.0250(3) -0.11969(13) 0.27867(14) 0.0420(8) Uani 1 1 d .
C39 C -1.1640(3) -0.09953(14) 0.27681(15) 0.0526(9) Uani 1 1 d .
H39 H -1.1956 -0.1021 0.3180 0.063 Uiso 1 1 calc R
C40 C -1.2594(3) -0.07528(13) 0.21478(14) 0.0480(8) Uani 1 1 d .
H40 H -1.3541 -0.0628 0.2145 0.058 Uiso 1 1 calc R
C41 C -1.2127(3) -0.06979(12) 0.15362(13) 0.0322(7) Uani 1 1 d .
C42 C -1.0707(3) -0.08664(14) 0.15646(14) 0.0504(9) Uani 1 1 d .
H42 H -1.0359 -0.0803 0.1166 0.061 Uiso 1 1 calc R
C43 C -0.9785(3) -0.11287(15) 0.21769(15) 0.0582(9) Uani 1 1 d .
H43 H -0.8844 -0.1260 0.2177 0.070 Uiso 1 1 calc R
C44 C -0.3171(3) -0.45413(12) 0.58590(14) 0.0311(7) 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'
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
O4 Co1 O3 116.77(7) . .
O4 Co1 O1 146.47(7) . .
O3 Co1 O1 96.70(7) . .
O4 Co1 N1 89.88(8) . 2_545
O3 Co1 N1 87.68(7) . 2_545
O1 Co1 N1 93.69(8) . 2_545
O4 Co1 N4 89.54(8) . .
O3 Co1 N4 91.01(8) . .
O1 Co1 N4 87.76(8) . .
N1 Co1 N4 178.15(8) 2_545 .
O4 Co1 O2 88.33(7) . .
O3 Co1 O2 154.74(7) . .
O1 Co1 O2 58.40(7) . .
N1 Co1 O2 89.66(8) 2_545 .
N4 Co1 O2 92.08(8) . .
C22 O1 Co1 94.11(18) . .
C22 O2 Co1 85.62(17) . .
C44 O3 Co1 130.89(17) . .
C44 O4 Co1 151.17(18) 3_446 .
C1 N1 C5 116.4(2) . .
C1 N1 Co1 121.72(19) . 2
C5 N1 Co1 121.58(17) . 2
C14 N2 C13 116.6(4) . .
C10 N3 C6 118.6(2) . .
C23 N4 C27 115.8(2) . .
C23 N4 Co1 120.60(19) . .
C27 N4 Co1 123.34(19) . .
C36 N5 C35 115.2(4) . .
C32 N6 C28 118.7(2) . .
N1 C1 C2 123.5(3) . .
N1 C1 H1 118.2 . .
C2 C1 H1 118.2 . .
C1 C2 C3 119.7(3) . .
C1 C2 H2 120.2 . .
C3 C2 H2 120.2 . .
C4 C3 C2 117.0(3) . .
C4 C3 C6 118.7(3) . .
C2 C3 C6 124.1(3) . .
C5 C4 C3 119.7(3) . .
C5 C4 H4 120.2 . .
C3 C4 H4 120.2 . .
N1 C5 C4 123.7(3) . .
N1 C5 H5 118.2 . .
C4 C5 H5 118.2 . .
N3 C6 C7 121.3(3) . .
N3 C6 C3 116.5(2) . .
C7 C6 C3 122.0(3) . .
C8 C7 C6 120.1(3) . .
C8 C7 H7 119.9 . .
C6 C7 H7 119.9 . .
C9 C8 C7 117.7(3) . .
C9 C8 C16 120.1(3) . .
C7 C8 C16 122.2(3) . .
C8 C9 C10 120.7(3) . .
C8 C9 H9 119.6 . .
C10 C9 H9 119.6 . .
N3 C10 C9 121.5(3) . .
N3 C10 C11 116.3(3) . .
C9 C10 C11 122.1(3) . .
C15 C11 C12 116.9(3) . .
C15 C11 C10 119.7(3) . .
C12 C11 C10 123.5(3) . .
C11 C12 C13 119.3(3) . .
C11 C12 H12 120.3 . .
C13 C12 H12 120.3 . .
N2 C13 C12 123.0(4) . .
N2 C13 H13 118.5 . .
C12 C13 H13 118.5 . .
N2 C14 C15 125.1(4) . .
N2 C14 H14 117.5 . .
C15 C14 H14 117.5 . .
C11 C15 C14 119.1(4) . .
C11 C15 H15 120.4 . .
C14 C15 H15 120.4 . .
C21 C16 C17 116.2(3) . .
C21 C16 C8 122.2(3) . .
C17 C16 C8 121.6(3) . .
C16 C17 C18 121.6(3) . .
C16 C17 H17 119.2 . .
C18 C17 H17 119.2 . .
C19 C18 C17 121.5(3) . .
C19 C18 H18 119.3 . .
C17 C18 H18 119.3 . .
C20 C19 C18 117.1(3) . .
C20 C19 C22 121.2(3) . .
C18 C19 C22 121.5(3) . .
C19 C20 C21 121.4(3) . .
C19 C20 H20 119.3 . .
C21 C20 H20 119.3 . .
C16 C21 C20 122.1(3) . .
C16 C21 H21 118.9 . .
C20 C21 H21 118.9 . .
O2 C22 O1 121.3(3) . .
O2 C22 C19 119.6(3) . .
O1 C22 C19 119.0(3) . .
N4 C23 C24 123.8(3) . .
N4 C23 H23 118.1 . .
C24 C23 H23 118.1 . .
C23 C24 C25 120.5(3) . .
C23 C24 H24 119.7 . .
C25 C24 H24 119.7 . .
C26 C25 C24 116.5(3) . .
C26 C25 C28 123.6(3) . .
C24 C25 C28 119.9(3) . .
C27 C26 C25 119.4(3) . .
C27 C26 H26 120.3 . .
C25 C26 H26 120.3 . .
N4 C27 C26 124.0(3) . .
N4 C27 H27 118.0 . .
C26 C27 H27 118.0 . .
N6 C28 C29 121.5(3) . .
N6 C28 C25 115.5(3) . .
C29 C28 C25 123.0(3) . .
C30 C29 C28 120.4(3) . .
C30 C29 H29 119.8 . .
C28 C29 H29 119.8 . .
C31 C30 C29 117.3(3) . .
C31 C30 C38 120.9(3) . .
C29 C30 C38 121.8(3) . .
C32 C31 C30 120.4(3) . .
C32 C31 H31 119.8 . .
C30 C31 H31 119.8 . .
N6 C32 C31 121.7(3) . .
N6 C32 C33 115.1(3) . .
C31 C32 C33 123.2(3) . .
C34 C33 C37 115.9(3) . .
C34 C33 C32 120.7(3) . .
C37 C33 C32 123.2(3) . .
C33 C34 C35 119.7(4) . .
C33 C34 H34 120.2 . .
C35 C34 H34 120.2 . .
N5 C35 C34 125.4(4) . .
N5 C35 H35 117.3 . .
C34 C35 H35 117.3 . .
N5 C36 C37 123.5(4) . .
N5 C36 H36 118.2 . .
C37 C36 H36 118.2 . .
C33 C37 C36 120.3(3) . .
C33 C37 H37 119.8 . .
C36 C37 H37 119.8 . .
C39 C38 C43 118.1(3) . .
C39 C38 C30 120.7(3) . .
C43 C38 C30 121.1(3) . .
C38 C39 C40 121.7(3) . .
C38 C39 H39 119.2 . .
C40 C39 H39 119.2 . .
C41 C40 C39 119.7(3) . .
C41 C40 H40 120.1 . .
C39 C40 H40 120.1 . .
C42 C41 C40 118.7(3) . .
C42 C41 C44 121.5(2) . 4_455
C40 C41 C44 119.8(3) . 4_455
C41 C42 C43 121.1(3) . .
C41 C42 H42 119.5 . .
C43 C42 H42 119.5 . .
C42 C43 C38 120.6(3) . .
C42 C43 H43 119.7 . .
C38 C43 H43 119.7 . .
O4 C44 O3 125.3(2) 3_446 .
O4 C44 C41 117.3(2) 3_446 4_656
O3 C44 C41 117.3(2) . 4_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O4 1.9914(18) .
Co1 O3 2.0315(16) .
Co1 O1 2.1262(18) .
Co1 N1 2.133(2) 2_545
Co1 N4 2.173(2) .
Co1 O2 2.3181(19) .
O1 C22 1.254(3) .
O2 C22 1.241(3) .
O3 C44 1.258(3) .
O4 C44 1.249(3) 3_446
N1 C1 1.341(3) .
N1 C5 1.339(3) .
N1 Co1 2.133(2) 2
N2 C14 1.301(5) .
N2 C13 1.315(4) .
N3 C10 1.358(3) .
N3 C6 1.353(3) .
N4 C23 1.339(3) .
N4 C27 1.337(3) .
N5 C36 1.315(4) .
N5 C35 1.317(4) .
N6 C32 1.344(3) .
N6 C28 1.350(3) .
C1 C2 1.375(3) .
C1 H1 0.9300 .
C2 C3 1.384(3) .
C2 H2 0.9300 .
C3 C4 1.387(3) .
C3 C6 1.479(3) .
C4 C5 1.372(3) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 C7 1.393(3) .
C7 C8 1.387(3) .
C7 H7 0.9300 .
C8 C9 1.377(3) .
C8 C16 1.486(3) .
C9 C10 1.380(3) .
C9 H9 0.9300 .
C10 C11 1.488(4) .
C11 C15 1.370(4) .
C11 C12 1.375(4) .
C12 C13 1.399(4) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 C15 1.373(5) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C21 1.357(4) .
C16 C17 1.356(4) .
C17 C18 1.390(4) .
C17 H17 0.9300 .
C18 C19 1.350(4) .
C18 H18 0.9300 .
C19 C20 1.349(4) .
C19 C22 1.506(4) .
C20 C21 1.382(4) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C23 C24 1.365(3) .
C23 H23 0.9300 .
C24 C25 1.382(3) .
C24 H24 0.9300 .
C25 C26 1.385(3) .
C25 C28 1.479(4) .
C26 C27 1.385(3) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C29 1.387(3) .
C29 C30 1.383(3) .
C29 H29 0.9300 .
C30 C31 1.386(3) .
C30 C38 1.487(3) .
C31 C32 1.384(3) .
C31 H31 0.9300 .
C32 C33 1.484(4) .
C33 C34 1.361(4) .
C33 C37 1.378(4) .
C34 C35 1.385(4) .
C34 H34 0.9300 .
C35 H35 0.9300 .
C36 C37 1.399(4) .
C36 H36 0.9300 .
C37 H37 0.9300 .
C38 C39 1.370(3) .
C38 C43 1.380(3) .
C39 C40 1.392(3) .
C39 H39 0.9300 .
C40 C41 1.381(3) .
C40 H40 0.9300 .
C41 C42 1.374(3) .
C41 C44 1.503(3) 4_455
C42 C43 1.384(3) .
C42 H42 0.9300 .
C43 H43 0.9300 .
C44 O4 1.249(3) 3_446
C44 C41 1.503(3) 4_656
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
O4 Co1 O1 C22 -3.9(3) . .
O3 Co1 O1 C22 179.56(18) . .
N1 Co1 O1 C22 91.47(18) 2_545 .
N4 Co1 O1 C22 -89.68(18) . .
O2 Co1 O1 C22 4.15(17) . .
O4 Co1 O2 C22 171.37(19) . .
O3 Co1 O2 C22 -14.9(3) . .
O1 Co1 O2 C22 -4.19(18) . .
N1 Co1 O2 C22 -98.73(19) 2_545 .
N4 Co1 O2 C22 81.89(19) . .
O4 Co1 O3 C44 -29.8(2) . .
O1 Co1 O3 C44 148.1(2) . .
N1 Co1 O3 C44 -118.5(2) 2_545 .
N4 Co1 O3 C44 60.2(2) . .
O2 Co1 O3 C44 157.2(2) . .
O3 Co1 O4 C44 68.8(4) . 3_446
O1 Co1 O4 C44 -107.4(4) . 3_446
N1 Co1 O4 C44 156.1(4) 2_545 3_446
N4 Co1 O4 C44 -22.1(4) . 3_446
O2 Co1 O4 C44 -114.2(4) . 3_446
O4 Co1 N4 C23 131.0(2) . .
O3 Co1 N4 C23 14.2(2) . .
O1 Co1 N4 C23 -82.4(2) . .
N1 Co1 N4 C23 59(3) 2_545 .
O2 Co1 N4 C23 -140.7(2) . .
O4 Co1 N4 C27 -43.2(2) . .
O3 Co1 N4 C27 -160.0(2) . .
O1 Co1 N4 C27 103.3(2) . .
N1 Co1 N4 C27 -115(3) 2_545 .
O2 Co1 N4 C27 45.1(2) . .
C5 N1 C1 C2 -1.5(4) . .
Co1 N1 C1 C2 171.9(2) 2 .
N1 C1 C2 C3 0.7(4) . .
C1 C2 C3 C4 1.0(4) . .
C1 C2 C3 C6 -175.0(2) . .
C2 C3 C4 C5 -1.9(4) . .
C6 C3 C4 C5 174.3(2) . .
C1 N1 C5 C4 0.5(4) . .
Co1 N1 C5 C4 -172.8(2) 2 .
C3 C4 C5 N1 1.2(4) . .
C10 N3 C6 C7 0.9(4) . .
C10 N3 C6 C3 -174.7(2) . .
C4 C3 C6 N3 28.3(4) . .
C2 C3 C6 N3 -155.7(3) . .
C4 C3 C6 C7 -147.3(3) . .
C2 C3 C6 C7 28.7(4) . .
N3 C6 C7 C8 -0.9(4) . .
C3 C6 C7 C8 174.5(3) . .
C6 C7 C8 C9 0.1(4) . .
C6 C7 C8 C16 -178.0(3) . .
C7 C8 C9 C10 0.7(5) . .
C16 C8 C9 C10 178.8(3) . .
C6 N3 C10 C9 -0.1(4) . .
C6 N3 C10 C11 176.0(2) . .
C8 C9 C10 N3 -0.7(5) . .
C8 C9 C10 C11 -176.6(3) . .
N3 C10 C11 C15 -15.7(4) . .
C9 C10 C11 C15 160.5(3) . .
N3 C10 C11 C12 165.5(3) . .
C9 C10 C11 C12 -18.4(5) . .
C15 C11 C12 C13 0.1(5) . .
C10 C11 C12 C13 179.0(3) . .
C14 N2 C13 C12 0.7(7) . .
C11 C12 C13 N2 -0.8(6) . .
C13 N2 C14 C15 0.0(7) . .
C12 C11 C15 C14 0.5(5) . .
C10 C11 C15 C14 -178.5(3) . .
N2 C14 C15 C11 -0.6(7) . .
C9 C8 C16 C21 15.7(5) . .
C7 C8 C16 C21 -166.3(4) . .
C9 C8 C16 C17 -162.4(3) . .
C7 C8 C16 C17 15.6(5) . .
C21 C16 C17 C18 -0.2(6) . .
C8 C16 C17 C18 178.1(3) . .
C16 C17 C18 C19 -2.5(6) . .
C17 C18 C19 C20 3.1(6) . .
C17 C18 C19 C22 -171.7(3) . .
C18 C19 C20 C21 -1.4(6) . .
C22 C19 C20 C21 173.5(4) . .
C17 C16 C21 C20 2.0(7) . .
C8 C16 C21 C20 -176.3(4) . .
C19 C20 C21 C16 -1.3(7) . .
Co1 O2 C22 O1 7.1(3) . .
Co1 O2 C22 C19 -168.8(3) . .
Co1 O1 C22 O2 -7.7(3) . .
Co1 O1 C22 C19 168.2(2) . .
C20 C19 C22 O2 -8.4(5) . .
C18 C19 C22 O2 166.3(3) . .
C20 C19 C22 O1 175.6(3) . .
C18 C19 C22 O1 -9.7(5) . .
C27 N4 C23 C24 2.2(4) . .
Co1 N4 C23 C24 -172.4(2) . .
N4 C23 C24 C25 -2.4(5) . .
C23 C24 C25 C26 0.7(4) . .
C23 C24 C25 C28 -178.5(3) . .
C24 C25 C26 C27 1.0(4) . .
C28 C25 C26 C27 -179.9(3) . .
C23 N4 C27 C26 -0.4(4) . .
Co1 N4 C27 C26 174.1(2) . .
C25 C26 C27 N4 -1.2(5) . .
C32 N6 C28 C29 2.8(4) . .
C32 N6 C28 C25 -178.8(3) . .
C26 C25 C28 N6 155.8(3) . .
C24 C25 C28 N6 -25.2(4) . .
C26 C25 C28 C29 -25.9(5) . .
C24 C25 C28 C29 153.2(3) . .
N6 C28 C29 C30 -1.5(5) . .
C25 C28 C29 C30 -179.8(3) . .
C28 C29 C30 C31 -0.6(4) . .
C28 C29 C30 C38 179.6(3) . .
C29 C30 C31 C32 1.3(4) . .
C38 C30 C31 C32 -178.8(3) . .
C28 N6 C32 C31 -2.1(4) . .
C28 N6 C32 C33 177.8(3) . .
C30 C31 C32 N6 0.0(5) . .
C30 C31 C32 C33 -179.8(3) . .
N6 C32 C33 C34 15.1(5) . .
C31 C32 C33 C34 -165.0(4) . .
N6 C32 C33 C37 -159.6(3) . .
C31 C32 C33 C37 20.3(5) . .
C37 C33 C34 C35 -2.0(6) . .
C32 C33 C34 C35 -177.1(4) . .
C36 N5 C35 C34 -1.5(8) . .
C33 C34 C35 N5 2.7(8) . .
C35 N5 C36 C37 -0.1(7) . .
C34 C33 C37 C36 0.6(6) . .
C32 C33 C37 C36 175.5(3) . .
N5 C36 C37 C33 0.5(6) . .
C31 C30 C38 C39 -46.2(4) . .
C29 C30 C38 C39 133.6(3) . .
C31 C30 C38 C43 133.7(3) . .
C29 C30 C38 C43 -46.4(4) . .
C43 C38 C39 C40 2.7(5) . .
C30 C38 C39 C40 -177.4(3) . .
C38 C39 C40 C41 -1.5(5) . .
C39 C40 C41 C42 -2.1(4) . .
C39 C40 C41 C44 177.8(2) . 4_455
C40 C41 C42 C43 4.4(4) . .
C44 C41 C42 C43 -175.4(3) 4_455 .
C41 C42 C43 C38 -3.3(5) . .
C39 C38 C43 C42 -0.3(5) . .
C30 C38 C43 C42 179.8(3) . .
Co1 O3 C44 O4 2.7(4) . 3_446
Co1 O3 C44 C41 -174.15(15) . 4_656
