#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:34:25 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180440 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/09/7210931.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_7210931
loop_
_publ_author_name
'Zhou, Pei'
'Yao, Jian-feng'
'Sheng, Chuan-fang'
'Li, Hui'
_publ_section_title
;
 A continuing tale of chirality: metal coordination extended axial
 chirality of 4,4′-bipy to 1D infinite chain under cooperation of a
 nucleotide ligand
;
_journal_issue                   42
_journal_name_full               CrystEngComm
_journal_page_first              8430
_journal_paper_doi               10.1039/c3ce40977e
_journal_volume                  15
_journal_year                    2013
_chemical_absolute_configuration ad
_chemical_formula_sum            'C38 H74 Co2 N10 O33 P2'
_chemical_formula_weight         1378.87
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 115.46(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.395(3)
_cell_length_b                   18.092(4)
_cell_length_c                   14.144(3)
_cell_measurement_reflns_used    8878
_cell_measurement_temperature    153.1500
_cell_measurement_theta_max      29.1310
_cell_measurement_theta_min      1.9520
_cell_volume                     2863.8(13)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      153.1500
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '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    0.1046
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25364
_diffrn_reflns_theta_full        29.14
_diffrn_reflns_theta_max         29.14
_diffrn_reflns_theta_min         2.89
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.740
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8877
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Pink
_exptl_crystal_density_diffrn    1.599
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.3500
_exptl_crystal_size_mid          0.1000
_exptl_crystal_size_min          0.0900
_refine_diff_density_max         0.662
_refine_diff_density_min         -0.642
_refine_diff_density_rms         0.098
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.004(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     787
_refine_ls_number_reflns         13844
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0892
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0482P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1137
_refine_ls_wR_factor_ref         0.1273
_reflns_number_gt                9985
_reflns_number_total             13844
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40977e.txt
_cod_data_source_block           CMP-bipy-Co(2)
_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 
;
_cod_original_cell_volume        2863.7(10)
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               7210931
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-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
Co2 Co 0.51346(6) 0.52713(3) 1.05591(5) 0.01245(15) Uani 1 1 d . . .
P3 P 0.57152(12) 0.63596(8) 0.90045(10) 0.0134(3) Uani 1 1 d . . .
P4 P -0.41658(12) 0.49199(8) 0.40091(10) 0.0138(3) Uani 1 1 d . . .
C1 C -0.2255(5) 0.6372(3) 0.6728(4) 0.0207(12) Uani 1 1 d . . .
H1 H -0.2558 0.6810 0.6365 0.025 Uiso 1 1 calc R . .
C2 C -0.1026(5) 0.6305(3) 0.7272(4) 0.0207(12) Uani 1 1 d . . .
H2 H -0.0525 0.6688 0.7270 0.025 Uiso 1 1 calc R . .
C3 C -0.0553(5) 0.5653(3) 0.7822(4) 0.0177(12) Uani 1 1 d . . .
C4 C -0.1366(5) 0.5111(3) 0.7797(4) 0.0195(12) Uani 1 1 d . . .
H4A H -0.1094 0.4671 0.8165 0.023 Uiso 1 1 calc R . .
C5 C -0.2571(5) 0.5230(3) 0.7226(4) 0.0225(12) Uani 1 1 d . . .
H5 H -0.3096 0.4858 0.7211 0.027 Uiso 1 1 calc R . .
C6 C 0.2502(5) 0.4766(3) 0.9197(4) 0.0192(12) Uani 1 1 d . . .
H6 H 0.2825 0.4293 0.9356 0.023 Uiso 1 1 calc R . .
C7 C 0.1280(5) 0.4843(3) 0.8644(4) 0.0179(12) Uani 1 1 d . . .
H7 H 0.0800 0.4424 0.8441 0.022 Uiso 1 1 calc R . .
C8 C 0.0756(4) 0.5536(3) 0.8386(4) 0.0137(11) Uani 1 1 d . . .
C9 C 0.1534(5) 0.6140(3) 0.8695(4) 0.0168(11) Uani 1 1 d . . .
H9A H 0.1237 0.6618 0.8534 0.020 Uiso 1 1 calc R . .
C10 C 0.2749(5) 0.6020(3) 0.9243(4) 0.0175(12) Uani 1 1 d . . .
H10A H 0.3252 0.6429 0.9435 0.021 Uiso 1 1 calc R . .
C11 C 0.7747(5) 0.4725(3) 1.1754(5) 0.0221(13) Uani 1 1 d . . .
H11 H 0.7422 0.4264 1.1496 0.026 Uiso 1 1 calc R . .
C12 C 0.8971(5) 0.4784(3) 1.2306(4) 0.0214(13) Uani 1 1 d . . .
H12 H 0.9451 0.4369 1.2410 0.026 Uiso 1 1 calc R . .
C13 C 0.9482(4) 0.5458(3) 1.2702(4) 0.0143(11) Uani 1 1 d . . .
C14 C 0.8719(5) 0.6050(3) 1.2527(5) 0.0278(14) Uani 1 1 d . . .
H14 H 0.9019 0.6516 1.2786 0.033 Uiso 1 1 calc R . .
C15 C 0.7487(5) 0.5943(3) 1.1955(4) 0.0279(14) Uani 1 1 d . . .
H15A H 0.6985 0.6348 1.1839 0.033 Uiso 1 1 calc R . .
C17 C 1.0805(5) 0.5556(3) 1.3324(4) 0.0157(11) Uani 1 1 d . . .
C18 C 1.1276(5) 0.6250(3) 1.3655(5) 0.0247(14) Uani 1 1 d . . .
H18 H 1.0779 0.6662 1.3479 0.030 Uiso 1 1 calc R . .
C19 C -0.7499(5) 0.6328(3) 0.4254(4) 0.0191(12) Uani 1 1 d . . .
H19 H -0.7197 0.6799 0.4482 0.023 Uiso 1 1 calc R . .
C20 C -0.7211(5) 0.5099(3) 0.4148(4) 0.0225(13) Uani 1 1 d . . .
H20 H -0.6692 0.4699 0.4293 0.027 Uiso 1 1 calc R . .
C21 C 0.1910(5) 0.4569(3) 0.6028(4) 0.0183(11) Uani 1 1 d . . .
C22 C 0.1649(5) 0.5834(3) 0.6221(4) 0.0174(11) Uani 1 1 d . . .
C23 C 0.0378(5) 0.5769(3) 0.5650(4) 0.0172(11) Uani 1 1 d . . .
H23 H -0.0117 0.6180 0.5516 0.021 Uiso 1 1 calc R . .
C24 C -0.0075(5) 0.5093(3) 0.5315(4) 0.0192(11) Uani 1 1 d . . .
H24 H -0.0898 0.5032 0.4953 0.023 Uiso 1 1 calc R . .
C25 C 1.1969(5) 0.6709(3) 1.1274(4) 0.0148(11) Uani 1 1 d . . .
C26 C 1.1770(5) 0.5444(3) 1.1280(4) 0.0164(11) Uani 1 1 d . . .
C27 C 1.0500(5) 0.5503(3) 1.0797(4) 0.0201(12) Uani 1 1 d . . .
H27 H 1.0014 0.5086 1.0596 0.024 Uiso 1 1 calc R . .
C28 C 1.0037(5) 0.6188(3) 1.0645(4) 0.0200(12) Uani 1 1 d . . .
H28 H 0.9212 0.6250 1.0354 0.024 Uiso 1 1 calc R . .
C29 C 1.0020(4) 0.7923(3) 0.9761(4) 0.0238(12) Uani 1 1 d . . .
H29 H 1.0508 0.7706 0.9440 0.029 Uiso 1 1 calc R . .
C30 C 0.8236(4) 0.7865(3) 0.9966(4) 0.0188(12) Uani 1 1 d . . .
H30 H 0.8225 0.8396 1.0103 0.023 Uiso 1 1 calc R . .
C31 C 0.7042(5) 0.7546(3) 0.9758(5) 0.0247(13) Uani 1 1 d . . .
H31A H 0.6916 0.7575 1.0388 0.030 Uiso 1 1 calc R . .
H31B H 0.6419 0.7829 0.9214 0.030 Uiso 1 1 calc R . .
C33 C 0.0231(4) 0.3724(3) 0.5223(4) 0.0170(10) Uani 1 1 d . . .
H33 H 0.0731 0.3462 0.4951 0.020 Uiso 1 1 calc R . .
C34 C -0.1716(5) 0.3372(3) 0.4895(4) 0.0196(12) Uani 1 1 d . . .
H34 H -0.1753 0.2842 0.4745 0.023 Uiso 1 1 calc R . .
C35 C -0.2972(4) 0.3684(3) 0.4371(4) 0.0208(11) Uani 1 1 d . . .
H35A H -0.3346 0.3536 0.3641 0.025 Uiso 1 1 calc R . .
H35B H -0.3447 0.3491 0.4710 0.025 Uiso 1 1 calc R . .
C38 C 0.0259(4) 0.3315(3) 0.6177(4) 0.0222(11) Uani 1 1 d . . .
H38 H 0.0889 0.3493 0.6839 0.027 Uiso 1 1 calc R . .
C39 C -0.1006(4) 0.3482(3) 0.6067(4) 0.0207(12) Uani 1 1 d . . .
H39 H -0.1058 0.3998 0.6252 0.025 Uiso 1 1 calc R . .
C40 C 0.8705(4) 0.7756(3) 0.9134(4) 0.0221(11) Uani 1 1 d . . .
H40 H 0.8600 0.7240 0.8901 0.027 Uiso 1 1 calc R . .
C42 C 1.0254(4) 0.7555(3) 1.0799(4) 0.0183(10) Uani 1 1 d . . .
H42 H 1.0814 0.7862 1.1371 0.022 Uiso 1 1 calc R . .
C43 C 1.1596(5) 0.4975(3) 1.3575(4) 0.0205(12) Uani 1 1 d . . .
H41 H 1.1319 0.4499 1.3355 0.025 Uiso 1 1 calc R . .
Co1 Co -0.48979(6) 0.58980(3) 0.56121(5) 0.01285(15) Uani 1 1 d . . .
H27C H 0.412(4) 0.806(2) 0.358(4) 0.024(15) Uiso 1 1 d D . .
H10D H -0.504(5) 0.693(3) 0.424(4) 0.027(17) Uiso 1 1 d . . .
H27D H 0.346(7) 0.772(5) 0.290(6) 0.08(3) Uiso 1 1 d . . .
H10E H -0.431(5) 0.639(3) 0.428(4) 0.029(16) Uiso 1 1 d D . .
N1 N -0.6743(4) 0.5767(3) 0.4516(3) 0.0167(10) Uani 1 1 d . . .
N2 N -0.3028(4) 0.5852(3) 0.6690(3) 0.0151(9) Uani 1 1 d . . .
N3 N 0.3241(4) 0.5351(3) 0.9513(3) 0.0128(9) Uani 1 1 d . . .
N4 N 0.7003(4) 0.5301(3) 1.1574(3) 0.0161(9) Uani 1 1 d . . .
N5 N 0.0669(3) 0.4488(2) 0.5503(3) 0.0164(9) Uani 1 1 d . . .
N6 N 0.2367(4) 0.5251(3) 0.6377(3) 0.0170(9) Uani 1 1 d . . .
N7 N 0.2165(4) 0.6482(3) 0.6623(4) 0.0234(11) Uani 1 1 d . . .
H7A H 0.2929 0.6510 0.6964 0.028 Uiso 1 1 calc R . .
H7B H 0.1732 0.6870 0.6539 0.028 Uiso 1 1 calc R . .
N8 N 1.0754(4) 0.6790(2) 1.0909(3) 0.0175(9) Uani 1 1 d . . .
N9 N 1.2471(4) 0.6039(2) 1.1479(4) 0.0180(10) Uani 1 1 d . . .
N10 N 1.2300(4) 0.4783(3) 1.1543(4) 0.0251(11) Uani 1 1 d . . .
H10B H 1.3067 0.4753 1.1830 0.030 Uiso 1 1 calc R . .
H10C H 1.1874 0.4389 1.1425 0.030 Uiso 1 1 calc R . .
O1 O 0.2546(3) 0.4011(2) 0.6178(3) 0.0231(9) Uani 1 1 d . . .
O2 O 1.2599(3) 0.7286(2) 1.1390(3) 0.0205(8) Uani 1 1 d . . .
O4 O 0.48631(17) 0.42878(18) 1.12292(14) 0.0169(8) Uani 1 1 d . . .
H4D H 0.4886 0.4345 1.1834 0.020 Uiso 1 1 d R . .
H4E H 0.5253 0.3899 1.1237 0.020 Uiso 1 1 d R . .
O9 O -0.52406(17) 0.68693(18) 0.62536(14) 0.0199(8) Uani 1 1 d R . .
H9D H -0.5267 0.6823 0.6841 0.024 Uiso 1 1 d R . .
H9E H -0.4872 0.7268 0.6265 0.024 Uiso 1 1 d R . .
O6 O 0.4772(3) 0.6834(2) 0.8153(3) 0.0197(8) Uani 1 1 d . . .
O7 O 0.5979(3) 0.5639(2) 0.8606(3) 0.0166(8) Uani 1 1 d . . .
O8 O 0.6977(3) 0.6788(2) 0.9436(3) 0.0191(8) Uani 1 1 d . . .
O10 O -0.4552(4) 0.6668(2) 0.4646(3) 0.0207(9) Uani 1 1 d D . .
O11 O -0.4512(3) 0.49867(19) 0.4910(2) 0.0166(8) Uani 1 1 d . . .
O12 O -0.5069(3) 0.4466(2) 0.3119(3) 0.0156(8) Uani 1 1 d . . .
O13 O -0.2918(3) 0.4466(2) 0.4446(3) 0.0196(8) Uani 1 1 d . . .
O14 O -0.3864(3) 0.5660(2) 0.3677(3) 0.0172(8) Uani 1 1 d . . .
O15 O 0.47871(18) 0.59010(12) 1.16406(16) 0.0163(8) Uani 1 1 d . . .
H15E H 0.4865 0.6354 1.1525 0.020 Uiso 1 1 d R . .
H15C H 0.5250 0.5776 1.2156 0.024(16) Uiso 1 1 d R . .
O5 O 0.54070(18) 0.62497(12) 0.99374(16) 0.0148(8) Uani 1 1 d R . .
O3 O 0.55077(18) 0.45443(12) 0.95295(16) 0.0195(9) Uani 1 1 d R . .
H3C H 0.5542 0.4954 0.9249 0.023 Uiso 1 1 d R . .
H3D H 0.6024 0.4256 0.9483 0.023 Uiso 1 1 d R . .
O16 O -0.1319(3) 0.3011(2) 0.6698(3) 0.0302(9) Uani 1 1 d . . .
H16A H -0.2044 0.3022 0.6503 0.045 Uiso 1 1 calc R . .
O17 O 0.0331(3) 0.25425(19) 0.6024(3) 0.0305(9) Uani 1 1 d . . .
H17 H 0.0994 0.2443 0.6062 0.046 Uiso 1 1 calc R . .
O18 O 0.9155(3) 0.7517(2) 1.0883(3) 0.0246(9) Uani 1 1 d . . .
O19 O -0.0973(3) 0.37240(19) 0.4457(3) 0.0206(8) Uani 1 1 d . . .
O20 O 1.0172(3) 0.86967(19) 0.9876(3) 0.0321(9) Uani 1 1 d . . .
H20A H 1.0866 0.8803 1.0010 0.048 Uiso 1 1 calc R . .
O21 O 0.8128(3) 0.8229(2) 0.8268(3) 0.0326(9) Uani 1 1 d . . .
H21 H 0.8628 0.8434 0.8125 0.049 Uiso 1 1 calc R . .
O22 O 0.4893(4) 0.3853(3) 0.5857(4) 0.0490(14) Uani 1 1 d . . .
H22D H 0.4705 0.4103 0.6273 0.059 Uiso 1 1 d R . .
H22C H 0.5130 0.4186 0.5565 0.059 Uiso 1 1 d R . .
O23 O 0.3810(3) 0.7971(2) 0.8729(3) 0.0217(8) Uani 1 1 d . . .
H23C H 0.3976 0.7902 0.9372 0.026 Uiso 1 1 d R . .
H23D H 0.4114 0.7610 0.8543 0.026 Uiso 1 1 d R . .
O24 O 0.3788(4) 0.3600(2) 0.8299(3) 0.0303(10) Uani 1 1 d . . .
H24C H 0.3441 0.3750 0.7670 0.036 Uiso 1 1 d R . .
H24D H 0.4319 0.3914 0.8653 0.036 Uiso 1 1 d R . .
O25 O 0.4657(4) 0.7419(2) 0.0832(3) 0.0301(10) Uani 1 1 d . . .
H25C H 0.5082 0.7794 0.1127 0.036 Uiso 1 1 d R . .
H25D H 0.4067 0.7380 0.0985 0.036 Uiso 1 1 d R . .
O26 O 0.4018(3) 0.3189(2) 0.3524(3) 0.0264(9) Uani 1 1 d . . .
H26D H 0.4236 0.3629 0.3483 0.032 Uiso 1 1 d R . .
H26C H 0.3626 0.3157 0.3889 0.032 Uiso 1 1 d R . .
O27 O 0.3624(4) 0.7719(2) 0.3503(4) 0.0252(9) Uani 1 1 d D . .
O28 O 0.8560(3) 0.2851(2) 0.2694(3) 0.0315(9) Uani 1 1 d . . .
H28D H 0.7832 0.2885 0.2255 0.038 Uiso 1 1 d R . .
H28C H 0.8685 0.3119 0.3225 0.038 Uiso 1 1 d R . .
O29 O 0.2702(4) 0.3070(3) 0.4730(4) 0.0642(14) Uani 1 1 d . . .
H29C H 0.2247 0.3251 0.4981 0.077 Uiso 1 1 d R . .
H29D H 0.3362 0.3282 0.5101 0.077 Uiso 1 1 d R . .
O33 O 0.7791(4) 0.6911(2) 0.4212(4) 0.0525(13) Uani 1 1 d . . .
H33C H 0.7286 0.6562 0.4071 0.063 Uiso 1 1 d R . .
H33D H 0.7602 0.7251 0.4528 0.063 Uiso 1 1 d R . .
O34 O -0.5270(3) 0.52706(18) 0.6672(2) 0.0148(7) Uani 1 1 d D . .
H34D H -0.5987 0.5269 0.6601 0.018 Uiso 1 1 d RD . .
H34C H -0.4824 0.5375 0.7261 0.018 Uiso 1 1 d RD . .
O40 O 0.9237(4) 0.8180(3) 0.7118(4) 0.0699(16) Uani 1 1 d . . .
H40C H 0.8683 0.8133 0.6503 0.084 Uiso 1 1 d R . .
H40D H 0.9898 0.8066 0.7109 0.084 Uiso 1 1 d R . .
O41 O 0.2589(11) 0.8869(6) 0.0827(9) 0.047(3) Uani 0.50 1 d P A 1
H41A H 0.2605 0.8419 0.0982 0.056 Uiso 1 1 d R A 1
O41' O 0.2493(10) 0.8653(5) 0.0302(10) 0.048(3) Uani 0.50 1 d P B 2
H41G H 0.2963 0.8345 0.0970 0.057 Uiso 1 1 d R B 2
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'
P P 0.1023 0.0942 '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
O5 Co2 O15 88.13(9) . .
O5 Co2 O4 178.51(9) . .
O15 Co2 O4 90.46(9) . .
O5 Co2 N4 86.35(15) . .
O15 Co2 N4 89.95(13) . .
O4 Co2 N4 93.17(14) . .
O5 Co2 O3 96.51(9) . .
O15 Co2 O3 175.19(12) . .
O4 Co2 O3 84.88(9) . .
N4 Co2 O3 89.09(13) . .
O5 Co2 N3 88.85(13) . .
O15 Co2 N3 87.73(13) . .
O4 Co2 N3 91.57(13) . .
N4 Co2 N3 174.74(19) . .
O3 Co2 N3 93.61(13) . .
O7 P3 O6 113.9(2) . .
O7 P3 O5 112.44(18) . .
O6 P3 O5 111.16(18) . .
O7 P3 O8 103.1(2) . .
O6 P3 O8 108.4(2) . .
O5 P3 O8 107.23(18) . .
O11 P4 O12 111.5(2) . .
O11 P4 O14 112.7(2) . .
O12 P4 O14 114.4(2) . .
O11 P4 O13 106.8(2) . .
O12 P4 O13 106.6(2) . .
O14 P4 O13 104.1(2) . .
N2 C1 C2 124.2(5) . .
C1 C2 C3 118.8(5) . .
C4 C3 C2 117.0(5) . .
C4 C3 C8 121.7(5) . .
C2 C3 C8 121.3(5) . .
C5 C4 C3 119.7(5) . .
N2 C5 C4 123.5(5) . .
N3 C6 C7 122.2(5) . .
C6 C7 C8 121.1(5) . .
C7 C8 C9 116.2(5) . .
C7 C8 C3 123.3(5) . .
C9 C8 C3 120.4(5) . .
C10 C9 C8 119.5(5) . .
N3 C10 C9 123.8(5) . .
N4 C11 C12 123.1(5) . .
C13 C12 C11 120.1(5) . .
C12 C13 C14 117.0(5) . .
C12 C13 C17 122.6(5) . .
C14 C13 C17 120.4(5) . .
C13 C14 C15 119.3(5) . .
N4 C15 C14 123.6(5) . .
C43 C17 C18 117.2(5) . .
C43 C17 C13 122.6(5) . .
C18 C17 C13 120.2(5) . .
C17 C18 C19 119.5(5) . 1_756
N1 C19 C18 123.2(5) . 1_354
N1 C20 C43 123.6(5) . 1_354
O1 C21 N6 122.8(5) . .
O1 C21 N5 118.6(5) . .
N6 C21 N5 118.6(5) . .
N6 C22 N7 117.3(5) . .
N6 C22 C23 121.4(5) . .
N7 C22 C23 121.3(5) . .
C24 C23 C22 117.7(5) . .
C23 C24 N5 120.7(5) . .
O2 C25 N9 120.9(5) . .
O2 C25 N8 118.3(5) . .
N9 C25 N8 120.8(5) . .
N9 C26 N10 117.7(5) . .
N9 C26 C27 121.7(5) . .
N10 C26 C27 120.6(5) . .
C28 C27 C26 116.9(5) . .
C27 C28 N8 120.9(5) . .
O20 C29 C40 108.8(4) . .
O20 C29 C42 111.2(4) . .
C40 C29 C42 100.9(4) . .
O18 C30 C31 109.7(5) . .
O18 C30 C40 102.6(4) . .
C31 C30 C40 118.0(5) . .
O8 C31 C30 110.3(4) . .
O19 C33 N5 110.5(4) . .
O19 C33 C38 107.0(4) . .
N5 C33 C38 110.5(4) . .
O19 C34 C39 103.4(4) . .
O19 C34 C35 109.4(4) . .
C39 C34 C35 118.5(5) . .
O13 C35 C34 109.2(4) . .
O17 C38 C33 108.7(4) . .
O17 C38 C39 107.8(4) . .
C33 C38 C39 100.4(4) . .
O16 C39 C34 115.2(4) . .
O16 C39 C38 111.4(4) . .
C34 C39 C38 99.9(4) . .
O21 C40 C29 113.9(4) . .
O21 C40 C30 111.7(4) . .
C29 C40 C30 101.1(4) . .
O18 C42 N8 108.3(4) . .
O18 C42 C29 108.1(4) . .
N8 C42 C29 113.8(4) . .
C20 C43 C17 119.9(6) 1_756 .
O11 Co1 O34 94.53(13) . .
O11 Co1 O9 175.63(12) . .
O34 Co1 O9 89.79(11) . .
O11 Co1 O10 93.53(14) . .
O34 Co1 O10 171.91(15) . .
O9 Co1 O10 82.14(13) . .
O11 Co1 N1 87.71(16) . .
O34 Co1 N1 87.87(15) . .
O9 Co1 N1 93.08(14) . .
O10 Co1 N1 93.16(16) . .
O11 Co1 N2 84.81(15) . .
O34 Co1 N2 88.47(15) . .
O9 Co1 N2 94.69(13) . .
O10 Co1 N2 91.56(17) . .
N1 Co1 N2 171.40(19) . .
C19 N1 C20 116.5(5) . .
C19 N1 Co1 121.5(4) . .
C20 N1 Co1 121.7(4) . .
C1 N2 C5 116.8(5) . .
C1 N2 Co1 122.5(4) . .
C5 N2 Co1 119.7(4) . .
C10 N3 C6 117.2(4) . .
C10 N3 Co2 118.8(4) . .
C6 N3 Co2 123.8(4) . .
C15 N4 C11 117.0(5) . .
C15 N4 Co2 118.1(4) . .
C11 N4 Co2 124.4(4) . .
C24 N5 C21 120.7(4) . .
C24 N5 C33 123.5(4) . .
C21 N5 C33 115.7(4) . .
C22 N6 C21 120.9(5) . .
C28 N8 C25 120.2(4) . .
C28 N8 C42 121.5(4) . .
C25 N8 C42 118.4(4) . .
C26 N9 C25 119.0(5) . .
C31 O8 P3 119.5(3) . .
P4 O11 Co1 132.1(2) . .
C35 O13 P4 118.1(3) . .
P3 O5 Co2 128.49(14) . .
C42 O18 C30 108.5(4) . .
C33 O19 C34 108.9(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co2 O5 2.068(2) .
Co2 O15 2.095(2) .
Co2 O4 2.110(3) .
Co2 N4 2.138(4) .
Co2 O3 2.155(2) .
Co2 N3 2.175(4) .
P3 O7 1.511(4) .
P3 O6 1.531(4) .
P3 O5 1.536(2) .
P3 O8 1.612(4) .
P4 O11 1.515(3) .
P4 O12 1.517(4) .
P4 O14 1.519(4) .
P4 O13 1.621(4) .
C1 N2 1.328(7) .
C1 C2 1.385(7) .
C2 C3 1.397(8) .
C3 C4 1.395(7) .
C3 C8 1.483(7) .
C4 C5 1.376(7) .
C5 N2 1.340(7) .
C6 N3 1.344(7) .
C6 C7 1.382(7) .
C7 C8 1.387(7) .
C8 C9 1.397(7) .
C9 C10 1.382(7) .
C10 N3 1.336(6) .
C11 N4 1.341(7) .
C11 C12 1.380(7) .
C12 C13 1.377(7) .
C13 C14 1.380(7) .
C13 C17 1.501(7) .
C14 C15 1.400(7) .
C15 N4 1.311(7) .
C17 C43 1.376(7) .
C17 C18 1.378(8) .
C18 C19 1.392(7) 1_756
C19 N1 1.322(7) .
C19 C18 1.392(7) 1_354
C20 N1 1.343(7) .
C20 C43 1.365(8) 1_354
C21 O1 1.240(6) .
C21 N6 1.359(7) .
C21 N5 1.400(6) .
C22 N6 1.337(7) .
C22 N7 1.338(7) .
C22 C23 1.434(7) .
C23 C24 1.344(7) .
C24 N5 1.381(6) .
C25 O2 1.272(6) .
C25 N9 1.335(7) .
C25 N8 1.373(6) .
C26 N9 1.336(6) .
C26 N10 1.338(7) .
C26 C27 1.425(8) .
C27 C28 1.345(7) .
C28 N8 1.352(6) .
C29 O20 1.413(5) .
C29 C40 1.514(6) .
C29 C42 1.521(8) .
C30 O18 1.452(6) .
C30 C31 1.496(7) .
C30 C40 1.533(7) .
C31 O8 1.435(6) .
C33 O19 1.418(5) .
C33 N5 1.476(6) .
C33 C38 1.525(7) .
C34 O19 1.459(6) .
C34 C39 1.519(7) .
C34 C35 1.516(7) .
C35 O13 1.418(6) .
C38 O17 1.423(6) .
C38 C39 1.537(7) .
C39 O16 1.404(6) .
C40 O21 1.411(6) .
C42 O18 1.419(5) .
C42 N8 1.498(6) .
C43 C20 1.365(8) 1_756
Co1 O11 2.083(3) .
Co1 O34 2.084(3) .
Co1 O9 2.103(3) .
Co1 O10 2.120(4) .
Co1 N1 2.155(4) .
Co1 N2 2.160(4) .
