#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:27:20 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180506 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/75/7217505.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_7217505
loop_
_publ_author_name
'Yuan, Wei-Guan'
'Xiong, Fang'
'Zhang, Hong-Ling'
'Tang, Wei'
'Zhang, Shu-Fang'
'He, Zhan'
'Jing, Lin-Hai'
'Qin, Da-Bin'
_publ_section_title
;
 Syntheses, structures and luminescent properties of six divalent metal
 terephthalate coordination polymers based on three new flexible
 bis(imidazole) ligands
;
_journal_issue                   33
_journal_name_full               CrystEngComm
_journal_page_first              7701
_journal_paper_doi               10.1039/C4CE00635F
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C36 H28 Co N4 O8'
_chemical_formula_weight         703.55
_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                116.334(10)
_cell_angle_beta                 108.889(10)
_cell_angle_gamma                90.034(10)
_cell_formula_units_Z            2
_cell_length_a                   9.753(6)
_cell_length_b                   14.101(8)
_cell_length_c                   14.740(8)
_cell_measurement_reflns_used    1108
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.10
_cell_measurement_theta_min      2.82
_cell_volume                     1693.9(17)
_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, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_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  0.0548
_diffrn_reflns_av_sigmaI/netI    0.1378
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9011
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    0.564
_exptl_absorpt_correction_T_max  0.9102
_exptl_absorpt_correction_T_min  0.8765
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             726
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.591
_refine_diff_density_min         -0.852
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       0.0261(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     439
_refine_ls_number_reflns         6455
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.1734
_refine_ls_R_factor_gt           0.1153
_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)+(0.0000P)²+14.3753P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2370
_refine_ls_wR_factor_ref         0.2598
_reflns_number_gt                3562
_reflns_number_total             6455
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             7216383
_cod_data_source_file            c4ce00635f2.cif
_cod_data_source_block           CCDDC
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/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_cell_volume        1694.0(17)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               7217505
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
O1W O 0.6029(6) 0.5939(4) 0.6561(5) 0.0455(15) Uani 1 1 d .
C1 C 0.6308(9) 0.6044(7) 0.4204(7) 0.047(2) Uani 1 1 d .
H1 H 0.5499 0.5502 0.3876 0.056 Uiso 1 1 calc R
C2 C 0.7938(8) 0.7453(7) 0.5373(7) 0.041(2) Uani 1 1 d .
C3 C 0.8303(9) 0.6972(7) 0.4450(7) 0.044(2) Uani 1 1 d .
C4 C 0.9540(10) 0.7365(9) 0.4384(9) 0.061(3) Uani 1 1 d .
H4 H 0.9789 0.7035 0.3769 0.073 Uiso 1 1 calc R
C5 C 1.0387(11) 0.8287(10) 0.5300(10) 0.080(4) Uani 1 1 d .
H5 H 1.1238 0.8586 0.5301 0.096 Uiso 1 1 calc R
C6 C 1.0001(12) 0.8799(10) 0.6246(11) 0.080(4) Uani 1 1 d .
H6 H 1.0584 0.9423 0.6849 0.096 Uiso 1 1 calc R
C7 C 0.8770(10) 0.8356(8) 0.6240(8) 0.055(3) Uani 1 1 d .
H7 H 0.8497 0.8679 0.6843 0.066 Uiso 1 1 calc R
C8 C 0.7170(10) 0.5319(8) 0.2648(7) 0.057(3) Uani 1 1 d .
H8A H 0.7543 0.4694 0.2683 0.068 Uiso 1 1 calc R
H8B H 0.7809 0.5630 0.2429 0.068 Uiso 1 1 calc R
C9 C 0.5668(10) 0.4965(8) 0.1804(8) 0.055(3) Uani 1 1 d .
H9A H 0.5693 0.4434 0.1111 0.066 Uiso 1 1 calc R
H9B H 0.5012 0.4642 0.2003 0.066 Uiso 1 1 calc R
C10 C 0.3871(10) 0.5693(8) 0.0929(8) 0.053(2) Uani 1 1 d .
C11 C 0.3505(10) 0.6609(8) 0.0861(8) 0.057(3) Uani 1 1 d .
H11 H 0.4125 0.7265 0.1344 0.068 Uiso 1 1 calc R
C12 C 0.2240(11) 0.6551(8) 0.0091(9) 0.060(3) Uani 1 1 d .
H12 H 0.2021 0.7168 0.0032 0.072 Uiso 1 1 calc R
C13 C 0.1258(10) 0.5591(8) -0.0615(8) 0.053(2) Uani 1 1 d .
C14 C 0.1640(10) 0.4673(8) -0.0540(7) 0.048(2) Uani 1 1 d .
C15 C 0.2965(11) 0.4741(8) 0.0242(8) 0.057(3) Uani 1 1 d .
H15 H 0.3226 0.4126 0.0291 0.068 Uiso 1 1 calc R
C16 C 0.0645(10) 0.3670(8) -0.1270(8) 0.055(2) Uani 1 1 d .
H16 H 0.0884 0.3041 -0.1245 0.066 Uiso 1 1 calc R
C17 C -0.0640(10) 0.3659(8) -0.1990(8) 0.054(2) Uani 1 1 d .
C18 C -0.1022(11) 0.4562(9) -0.2070(8) 0.060(3) Uani 1 1 d .
H18 H -0.1915 0.4526 -0.2578 0.072 Uiso 1 1 calc R
C19 C -0.0092(11) 0.5499(9) -0.1409(9) 0.063(3) Uani 1 1 d .
H19 H -0.0346 0.6106 -0.1476 0.076 Uiso 1 1 calc R
C20 C -0.1419(11) 0.1738(9) -0.2791(8) 0.060(3) Uani 1 1 d .
H20A H -0.1087 0.1772 -0.2079 0.072 Uiso 1 1 calc R
H20B H -0.0684 0.1487 -0.3116 0.072 Uiso 1 1 calc R
C21 C -0.2900(10) 0.1007(8) -0.3510(8) 0.057(3) Uani 1 1 d .
H21A H -0.2778 0.0278 -0.3652 0.069 Uiso 1 1 calc R
H21B H -0.3570 0.1221 -0.3119 0.069 Uiso 1 1 calc R
C22 C -0.4198(10) 0.1796(8) -0.4666(8) 0.049(2) Uani 1 1 d .
H22 H -0.4365 0.2387 -0.4115 0.059 Uiso 1 1 calc R
C23 C -0.3530(9) 0.0283(7) -0.5524(8) 0.047(2) Uani 1 1 d .
C24 C -0.2977(10) -0.0675(9) -0.5848(10) 0.063(3) Uani 1 1 d .
H24 H -0.2520 -0.0928 -0.5359 0.076 Uiso 1 1 calc R
C25 C -0.3137(13) -0.1232(10) -0.6927(10) 0.076(3) Uani 1 1 d .
H25 H -0.2826 -0.1892 -0.7194 0.091 Uiso 1 1 calc R
C26 C -0.3775(12) -0.0788(9) -0.7613(9) 0.067(3) Uani 1 1 d .
H26 H -0.3826 -0.1152 -0.8329 0.081 Uiso 1 1 calc R
C27 C -0.4324(10) 0.0142(8) -0.7299(8) 0.057(3) Uani 1 1 d .
H27 H -0.4780 0.0398 -0.7785 0.069 Uiso 1 1 calc R
C28 C -0.4169(9) 0.0683(7) -0.6224(7) 0.041(2) Uani 1 1 d .
C29 C 0.2772(9) 0.6206(7) 0.5527(8) 0.045(2) Uani 1 1 d .
C30 C 0.1326(8) 0.5584(7) 0.5237(7) 0.040(2) Uani 1 1 d .
C31 C 0.0603(8) 0.5931(7) 0.5965(7) 0.042(2) Uani 1 1 d .
H31 H 0.1009 0.6564 0.6614 0.050 Uiso 1 1 calc R
C32 C -0.0708(8) 0.5356(7) 0.5746(7) 0.040(2) Uani 1 1 d .
H32 H -0.1177 0.5592 0.6247 0.048 Uiso 1 1 calc R
C33 C 0.7764(10) 0.8200(8) 0.8337(8) 0.056(3) Uani 1 1 d .
C34 C 0.8897(9) 0.9146(7) 0.9207(7) 0.050(2) Uani 1 1 d .
C35 C 0.8914(11) 1.0103(8) 0.9214(9) 0.067(3) Uani 1 1 d .
H35 H 0.8181 1.0189 0.8680 0.080 Uiso 1 1 calc R
C36 C 1.0002(12) 0.9053(8) 1.0003(9) 0.077(4) Uani 1 1 d .
H36 H 1.0013 0.8397 1.0009 0.092 Uiso 1 1 calc R
Co1 Co 0.53535(12) 0.71720(10) 0.61333(10) 0.0387(4) Uani 1 1 d .
N1 N 0.6650(7) 0.6834(6) 0.5180(6) 0.0445(18) Uani 1 1 d .
N2 N 0.7243(7) 0.6085(6) 0.3708(6) 0.0460(18) Uani 1 1 d .
N3 N -0.3538(8) 0.1019(6) -0.4507(6) 0.053(2) Uani 1 1 d .
N4 N -0.4588(8) 0.1651(6) -0.5667(6) 0.053(2) Uani 1 1 d .
O1 O 0.5172(7) 0.5852(6) 0.1723(6) 0.067(2) Uani 1 1 d .
O2 O -0.1682(7) 0.2757(6) -0.2714(6) 0.068(2) Uani 1 1 d .
O3 O 0.3369(6) 0.6976(5) 0.6440(5) 0.0508(16) Uani 1 1 d .
O4 O 0.3414(6) 0.5910(5) 0.4834(5) 0.0495(16) Uani 1 1 d .
O5 O 0.6784(6) 0.8297(5) 0.7610(5) 0.0466(15) Uani 1 1 d .
O6 O 0.7849(8) 0.7349(6) 0.8408(6) 0.083(3) Uani 1 1 d .
O2W O -0.5000 0.0000 -1.0000 0.259(12) Uiso 1 2 d S
O3W O -0.371(4) 0.219(3) -0.872(3) 0.196(12) Uiso 0.50 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
N1 C1 N2 113.6(7) . .
N1 C1 H1 123.2 . .
N2 C1 H1 123.2 . .
C7 C2 C3 120.6(8) . .
C7 C2 N1 131.4(8) . .
C3 C2 N1 108.0(7) . .
N2 C3 C4 130.4(9) . .
N2 C3 C2 106.9(7) . .
C4 C3 C2 122.7(9) . .
C3 C4 C5 115.1(10) . .
C3 C4 H4 122.5 . .
C5 C4 H4 122.5 . .
C4 C5 C6 122.5(9) . .
C4 C5 H5 118.8 . .
C6 C5 H5 118.8 . .
C7 C6 C5 118.4(10) . .
C7 C6 H6 120.8 . .
C5 C6 H6 120.8 . .
C2 C7 C6 120.7(10) . .
C2 C7 H7 119.7 . .
C6 C7 H7 119.7 . .
N2 C8 C9 114.3(8) . .
N2 C8 H8A 108.7 . .
C9 C8 H8A 108.7 . .
N2 C8 H8B 108.7 . .
C9 C8 H8B 108.7 . .
H8A C8 H8B 107.6 . .
O1 C9 C8 108.3(8) . .
O1 C9 H9A 110.0 . .
C8 C9 H9A 110.0 . .
O1 C9 H9B 110.0 . .
C8 C9 H9B 110.0 . .
H9A C9 H9B 108.4 . .
C15 C10 O1 125.3(10) . .
C15 C10 C11 120.4(9) . .
O1 C10 C11 114.2(9) . .
C12 C11 C10 119.8(9) . .
C12 C11 H11 120.1 . .
C10 C11 H11 120.1 . .
C11 C12 C13 121.6(10) . .
C11 C12 H12 119.2 . .
C13 C12 H12 119.2 . .
C14 C13 C12 118.1(9) . .
C14 C13 C19 118.4(9) . .
C12 C13 C19 123.5(10) . .
C13 C14 C15 119.7(9) . .
C13 C14 C16 118.9(9) . .
C15 C14 C16 121.4(9) . .
C10 C15 C14 120.4(10) . .
C10 C15 H15 119.8 . .
C14 C15 H15 119.8 . .
C17 C16 C14 118.7(10) . .
C17 C16 H16 120.6 . .
C14 C16 H16 120.6 . .
C16 C17 C18 122.6(9) . .
C16 C17 O2 124.1(10) . .
C18 C17 O2 113.4(9) . .
C19 C18 C17 119.3(9) . .
C19 C18 H18 120.4 . .
C17 C18 H18 120.4 . .
C18 C19 C13 122.0(10) . .
C18 C19 H19 119.0 . .
C13 C19 H19 119.0 . .
O2 C20 C21 104.4(8) . .
O2 C20 H20A 110.9 . .
C21 C20 H20A 110.9 . .
O2 C20 H20B 110.9 . .
C21 C20 H20B 110.9 . .
H20A C20 H20B 108.9 . .
N3 C21 C20 114.2(8) . .
N3 C21 H21A 108.7 . .
C20 C21 H21A 108.7 . .
N3 C21 H21B 108.7 . .
C20 C21 H21B 108.7 . .
H21A C21 H21B 107.6 . .
N4 C22 N3 114.3(9) . .
N4 C22 H22 122.9 . .
N3 C22 H22 122.9 . .
C28 C23 C24 122.5(10) . .
C28 C23 N3 106.9(8) . .
C24 C23 N3 130.6(10) . .
C25 C24 C23 117.0(11) . .
C25 C24 H24 121.5 . .
C23 C24 H24 121.5 . .
C24 C25 C26 118.8(11) . .
C24 C25 H25 120.6 . .
C26 C25 H25 120.6 . .
C27 C26 C25 124.1(11) . .
C27 C26 H26 117.9 . .
C25 C26 H26 117.9 . .
C26 C27 C28 116.3(10) . .
C26 C27 H27 121.8 . .
C28 C27 H27 121.8 . .
C23 C28 C27 121.2(9) . .
C23 C28 N4 109.3(8) . .
C27 C28 N4 129.5(9) . .
O3 C29 O4 120.4(7) . .
O3 C29 C30 120.2(8) . .
O4 C29 C30 119.3(8) . .
C31 C30 C32 119.6(7) . 2_566
C31 C30 C29 119.3(8) . .
C32 C30 C29 121.0(8) 2_566 .
C32 C31 C30 121.1(8) . .
C32 C31 H31 119.4 . .
C30 C31 H31 119.4 . .
C31 C32 C30 119.2(8) . 2_566
C31 C32 H32 120.4 . .
C30 C32 H32 120.4 2_566 .
O5 C33 O6 124.1(9) . .
O5 C33 C34 119.5(9) . .
O6 C33 C34 116.3(9) . .
C35 C34 C36 117.8(9) . .
C35 C34 C33 121.5(9) . .
C36 C34 C33 120.5(9) . .
C34 C35 C36 120.4(10) . 2_777
C34 C35 H35 119.8 . .
C36 C35 H35 119.8 2_777 .
C35 C36 C34 121.7(10) 2_777 .
C35 C36 H36 119.1 2_777 .
C34 C36 H36 119.1 . .
O5 Co1 N1 101.6(3) . .
O5 Co1 N4 92.5(3) . 2_565
N1 Co1 N4 89.2(3) . 2_565
O5 Co1 O1W 89.8(2) . .
N1 Co1 O1W 91.7(3) . .
N4 Co1 O1W 177.4(3) 2_565 .
O5 Co1 O3 103.6(2) . .
N1 Co1 O3 154.7(3) . .
N4 Co1 O3 90.8(3) 2_565 .
O1W Co1 O3 87.4(2) . .
O5 Co1 O4 162.2(2) . .
N1 Co1 O4 95.4(2) . .
N4 Co1 O4 92.9(3) 2_565 .
O1W Co1 O4 84.6(2) . .
O3 Co1 O4 59.3(2) . .
C1 N1 C2 105.4(7) . .
C1 N1 Co1 125.4(6) . .
C2 N1 Co1 128.7(6) . .
C1 N2 C3 106.1(7) . .
C1 N2 C8 126.3(8) . .
C3 N2 C8 127.5(7) . .
C22 N3 C23 104.9(8) . .
C22 N3 C21 126.6(9) . .
C23 N3 C21 128.3(9) . .
C22 N4 C28 104.6(8) . .
C22 N4 Co1 123.7(7) . 2_565
C28 N4 Co1 131.0(6) . 2_565
C10 O1 C9 118.0(8) . .
C17 O2 C20 120.7(8) . .
C29 O3 Co1 92.4(5) . .
C29 O4 Co1 87.7(5) . .
C33 O5 Co1 131.0(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1W Co1 2.136(6) .
C1 N1 1.300(11) .
C1 N2 1.355(10) .
C1 H1 0.9300 .
C2 C7 1.340(12) .
C2 C3 1.390(12) .
C2 N1 1.403(10) .
C3 N2 1.372(10) .
C3 C4 1.377(12) .
C4 C5 1.383(15) .
C4 H4 0.9300 .
C5 C6 1.433(16) .
C5 H5 0.9300 .
C6 C7 1.349(13) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 N2 1.430(11) .
C8 C9 1.487(12) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 O1 1.382(11) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C15 1.350(13) .
C10 O1 1.354(11) .
C10 C11 1.377(13) .
C11 C12 1.352(13) .
C11 H11 0.9300 .
C12 C13 1.392(13) .
C12 H12 0.9300 .
C13 C14 1.387(13) .
C13 C19 1.410(13) .
C14 C15 1.395(13) .
C14 C16 1.440(12) .
C15 H15 0.9300 .
C16 C17 1.350(13) .
C16 H16 0.9300 .
C17 C18 1.371(14) .
C17 O2 1.371(11) .
C18 C19 1.342(14) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 O2 1.421(12) .
C20 C21 1.520(12) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 N3 1.406(12) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 N4 1.316(11) .
C22 N3 1.343(12) .
C22 H22 0.9300 .
C23 C28 1.368(12) .
C23 C24 1.392(14) .
C23 N3 1.397(12) .
C24 C25 1.379(15) .
C24 H24 0.9300 .
C25 C26 1.400(16) .
C25 H25 0.9300 .
C26 C27 1.357(14) .
C26 H26 0.9300 .
C27 C28 1.375(13) .
C27 H27 0.9300 .
C28 N4 1.388(11) .
C29 O3 1.235(10) .
C29 O4 1.284(10) .
C29 C30 1.488(11) .
C30 C31 1.384(11) .
C30 C32 1.396(11) 2_566
C31 C32 1.377(11) .
C31 H31 0.9300 .
C32 C30 1.396(11) 2_566
C32 H32 0.9300 .
C33 O5 1.245(11) .
C33 O6 1.250(12) .
C33 C34 1.486(12) .
C34 C35 1.346(13) .
C34 C36 1.368(13) .
C35 C36 1.362(13) 2_777
C35 H35 0.9300 .
C36 C35 1.362(13) 2_777
C36 H36 0.9300 .
Co1 O5 2.041(6) .
Co1 N1 2.087(7) .
Co1 N4 2.113(9) 2_565
Co1 O3 2.169(5) .
Co1 O4 2.246(6) .
N4 Co1 2.113(9) 2_565
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
C7 C2 C3 N2 -179.1(9) . .
N1 C2 C3 N2 0.8(10) . .
C7 C2 C3 C4 2.1(15) . .
N1 C2 C3 C4 -178.1(9) . .
N2 C3 C4 C5 -179.6(10) . .
C2 C3 C4 C5 -1.0(15) . .
C3 C4 C5 C6 -0.3(17) . .
C4 C5 C6 C7 0.5(19) . .
C3 C2 C7 C6 -1.8(16) . .
N1 C2 C7 C6 178.5(10) . .
C5 C6 C7 C2 0.5(18) . .
N2 C8 C9 O1 61.2(11) . .
C15 C10 C11 C12 -1.0(16) . .
O1 C10 C11 C12 179.2(9) . .
C10 C11 C12 C13 2.6(16) . .
C11 C12 C13 C14 -2.8(15) . .
C11 C12 C13 C19 178.1(10) . .
C12 C13 C14 C15 1.2(14) . .
C19 C13 C14 C15 -179.6(9) . .
C12 C13 C14 C16 -179.4(9) . .
C19 C13 C14 C16 -0.3(13) . .
O1 C10 C15 C14 179.3(9) . .
C11 C10 C15 C14 -0.5(15) . .
C13 C14 C15 C10 0.4(14) . .
C16 C14 C15 C10 -178.9(9) . .
C13 C14 C16 C17 -1.2(13) . .
C15 C14 C16 C17 178.2(9) . .
C14 C16 C17 C18 1.4(15) . .
C14 C16 C17 O2 -179.1(8) . .
C16 C17 C18 C19 -0.2(16) . .
O2 C17 C18 C19 -179.7(9) . .
C17 C18 C19 C13 -1.3(16) . .
C14 C13 C19 C18 1.6(15) . .
C12 C13 C19 C18 -179.3(10) . .
O2 C20 C21 N3 53.2(12) . .
C28 C23 C24 C25 -1.8(14) . .
N3 C23 C24 C25 -180.0(9) . .
C23 C24 C25 C26 2.8(15) . .
C24 C25 C26 C27 -3.5(17) . .
C25 C26 C27 C28 2.9(16) . .
C24 C23 C28 C27 1.3(13) . .
N3 C23 C28 C27 179.8(8) . .
C24 C23 C28 N4 -179.0(8) . .
N3 C23 C28 N4 -0.5(9) . .
C26 C27 C28 C23 -1.8(13) . .
C26 C27 C28 N4 178.7(8) . .
O3 C29 C30 C31 5.4(13) . .
O4 C29 C30 C31 -177.1(8) . .
O3 C29 C30 C32 -173.1(8) . 2_566
O4 C29 C30 C32 4.5(13) . 2_566
C32 C30 C31 C32 1.0(15) 2_566 .
C29 C30 C31 C32 -177.4(8) . .
C30 C31 C32 C30 -1.0(15) . 2_566
O5 C33 C34 C35 -1.8(16) . .
O6 C33 C34 C35 -179.9(11) . .
O5 C33 C34 C36 -178.8(10) . .
O6 C33 C34 C36 3.1(16) . .
C36 C34 C35 C36 0(2) . 2_777
C33 C34 C35 C36 -177.4(11) . 2_777
C35 C34 C36 C35 0(2) . 2_777
C33 C34 C36 C35 177.5(11) . 2_777
N2 C1 N1 C2 -1.1(11) . .
N2 C1 N1 Co1 171.7(6) . .
C7 C2 N1 C1 180.0(10) . .
C3 C2 N1 C1 0.2(10) . .
C7 C2 N1 Co1 7.5(15) . .
C3 C2 N1 Co1 -172.3(6) . .
O5 Co1 N1 C1 169.1(8) . .
N4 Co1 N1 C1 -98.6(8) 2_565 .
O1W Co1 N1 C1 79.0(8) . .
O3 Co1 N1 C1 -8.5(12) . .
O4 Co1 N1 C1 -5.7(8) . .
O5 Co1 N1 C2 -19.9(8) . .
N4 Co1 N1 C2 72.5(8) 2_565 .
O1W Co1 N1 C2 -110.0(8) . .
O3 Co1 N1 C2 162.6(7) . .
O4 Co1 N1 C2 165.3(7) . .
N1 C1 N2 C3 1.6(11) . .
N1 C1 N2 C8 178.5(8) . .
C4 C3 N2 C1 177.4(10) . .
C2 C3 N2 C1 -1.4(10) . .
C4 C3 N2 C8 0.6(16) . .
C2 C3 N2 C8 -178.2(9) . .
C9 C8 N2 C1 44.4(14) . .
C9 C8 N2 C3 -139.4(9) . .
N4 C22 N3 C23 -1.2(10) . .
N4 C22 N3 C21 174.3(8) . .
C28 C23 N3 C22 1.0(9) . .
C24 C23 N3 C22 179.3(9) . .
C28 C23 N3 C21 -174.4(8) . .
C24 C23 N3 C21 3.9(15) . .
C20 C21 N3 C22 -75.6(12) . .
C20 C21 N3 C23 98.9(11) . .
N3 C22 N4 C28 0.9(10) . .
N3 C22 N4 Co1 -170.4(5) . 2_565
C23 C28 N4 C22 -0.2(9) . .
C27 C28 N4 C22 179.4(9) . .
C23 C28 N4 Co1 170.2(6) . 2_565
C27 C28 N4 Co1 -10.1(13) . 2_565
C15 C10 O1 C9 4.2(15) . .
C11 C10 O1 C9 -176.0(9) . .
C8 C9 O1 C10 174.2(8) . .
C16 C17 O2 C20 -3.8(14) . .
C18 C17 O2 C20 175.7(9) . .
C21 C20 O2 C17 170.0(8) . .
O4 C29 O3 Co1 -4.0(9) . .
C30 C29 O3 Co1 173.5(7) . .
O5 Co1 O3 C29 -172.0(5) . .
N1 Co1 O3 C29 5.5(10) . .
N4 Co1 O3 C29 95.2(6) 2_565 .
O1W Co1 O3 C29 -82.9(6) . .
O4 Co1 O3 C29 2.3(5) . .
O3 C29 O4 Co1 3.9(9) . .
C30 C29 O4 Co1 -173.7(8) . .
O5 Co1 O4 C29 16.1(11) . .
N1 Co1 O4 C29 179.1(5) . .
N4 Co1 O4 C29 -91.4(5) 2_565 .
O1W Co1 O4 C29 87.9(5) . .
O3 Co1 O4 C29 -2.2(5) . .
O6 C33 O5 Co1 -17.6(16) . .
C34 C33 O5 Co1 164.4(6) . .
N1 Co1 O5 C33 -82.5(9) . .
N4 Co1 O5 C33 -172.2(9) 2_565 .
O1W Co1 O5 C33 9.2(8) . .
O3 Co1 O5 C33 96.4(9) . .
O4 Co1 O5 C33 80.3(12) . .
