#------------------------------------------------------------------------------
#$Date: 2021-06-17 12:04:26 +0300 (Thu, 17 Jun 2021) $
#$Revision: 266529 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/35/1563545.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_1563545
loop_
_publ_author_name
'Su, Yan-Hui'
'Cao, Deng-Ke'
'Duan, Yan'
'Li, Yi-Zhi'
'Zheng, Li-Min'
_publ_section_title
;
 Metal diphosphonates with double-layer and pillared layered structures
 based on N-cyclohexylaminomethanediphosphonate
;
_journal_issue                   7
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1588
_journal_page_last               1594
_journal_paper_doi               10.1016/j.jssc.2010.05.008
_journal_volume                  183
_journal_year                    2010
_chemical_formula_moiety         'C19 H36 Co2 N3 O13 P4'
_chemical_formula_sum            'C19 H36 Co2 N3 O13 P4'
_chemical_formula_weight         756.25
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_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                 100.980(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.6298(18)
_cell_length_b                   18.673(7)
_cell_length_c                   27.932(10)
_cell_measurement_reflns_used    514
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      17.20
_cell_measurement_theta_min      2.97
_cell_volume                     2882.6(18)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0385
_diffrn_reflns_av_sigmaI/netI    0.0651
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            15262
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.84
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    1.441
_exptl_absorpt_correction_T_max  0.891
_exptl_absorpt_correction_T_min  0.758
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.743
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lamella
_exptl_crystal_F_000             1556
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.429
_refine_diff_density_min         -0.731
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         5635
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0810
_refine_ls_R_factor_gt           0.0472
_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)+(0.0514P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1058
_refine_ls_wR_factor_ref         0.1129
_reflns_number_gt                3599
_reflns_number_total             5635
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2010-183-1582.cif
_cod_data_source_block           90331c
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1563545
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.32350(10) 0.17599(3) 0.75072(2) 0.04212(17) Uani 1 1 d . . .
Co2 Co 0.48878(10) 0.41256(3) 0.69720(2) 0.04187(16) Uani 1 1 d . . .
P1 P 0.7861(2) 0.27107(6) 0.72720(4) 0.0413(3) Uani 1 1 d . . .
P2 P 0.4999(2) 0.31981(6) 0.80156(4) 0.0395(3) Uani 1 1 d . . .
P3 P 0.78677(19) 0.05587(6) 0.78087(4) 0.0393(3) Uani 1 1 d . . .
P4 P 0.3546(2) 0.02009(6) 0.70749(4) 0.0403(3) Uani 1 1 d . . .
O1 O 0.5562(5) 0.22601(15) 0.71289(10) 0.0428(7) Uani 1 1 d . . .
O1W O 0.2252(5) 0.33823(15) 0.66069(10) 0.0478(7) Uani 1 1 d . . .
H2 H 0.1082 0.3285 0.6808 0.057 Uiso 1 1 d R . .
H1 H 0.3043 0.2945 0.6548 0.057 Uiso 1 1 d R . .
O2 O 0.7696(5) 0.34022(14) 0.69843(10) 0.0422(7) Uani 1 1 d . . .
O3 O 1.0064(5) 0.22630(15) 0.72423(10) 0.0423(7) Uani 1 1 d . . .
O4 O 0.3783(5) 0.24839(14) 0.80745(10) 0.0440(7) Uani 1 1 d . . .
O5 O 0.3893(5) 0.36771(15) 0.76022(9) 0.0411(7) Uani 1 1 d . . .
O6 O 0.5319(5) 0.35970(15) 0.85167(10) 0.0454(7) Uani 1 1 d . . .
H6B H 0.5976 0.3992 0.8466 0.068 Uiso 1 1 d R . .
O7 O 0.6345(5) 0.11886(15) 0.79183(10) 0.0450(7) Uani 1 1 d . . .
O8 O 0.7836(5) -0.01183(14) 0.80952(10) 0.0415(7) Uani 1 1 d . . .
O9 O 1.0551(5) 0.08406(14) 0.78762(10) 0.0424(7) Uani 1 1 d . . .
H9 H 1.1245 0.0868 0.7632 0.051 Uiso 1 1 d R . .
O10 O 0.2488(5) 0.09632(15) 0.70077(10) 0.0460(7) Uani 1 1 d . . .
O11 O 0.3014(5) -0.01154(15) 0.75551(10) 0.0457(7) Uani 1 1 d . . .
O12 O 0.2780(5) -0.02591(14) 0.66310(9) 0.0386(6) Uani 1 1 d . . .
N1 N 0.9135(6) 0.23764(18) 0.82501(12) 0.0441(9) Uani 1 1 d . . .
H1C H 1.0671 0.2327 0.8207 0.053 Uiso 1 1 d R . .
H1D H 0.8357 0.1969 0.8144 0.053 Uiso 1 1 d R . .
N2 N 0.7426(6) 0.09391(18) 0.68438(12) 0.0417(8) Uani 1 1 d . . .
H2C H 0.6858 0.1348 0.6949 0.050 Uiso 1 1 d R . .
H2D H 0.9046 0.0978 0.6892 0.050 Uiso 1 1 d R . .
N3 N 0.5379(6) 0.45160(17) 0.62422(12) 0.0407(8) Uani 1 1 d . . .
C1 C 1.1764(8) 0.2358(2) 0.98008(15) 0.0486(11) Uani 1 1 d . . .
H1A H 1.3444 0.2298 0.9773 0.058 Uiso 1 1 calc R . .
H1B H 1.1681 0.2370 1.0144 0.058 Uiso 1 1 calc R . .
C2 C 1.0293(9) 0.1738(2) 0.95585(16) 0.0497(11) Uani 1 1 d . . .
H2A H 0.8663 0.1772 0.9623 0.060 Uiso 1 1 calc R . .
H2B H 1.0994 0.1294 0.9702 0.060 Uiso 1 1 calc R . .
C3 C 1.0172(8) 0.1712(2) 0.90133(16) 0.0457(11) Uani 1 1 d . . .
H3A H 1.1772 0.1626 0.8944 0.055 Uiso 1 1 calc R . .
H3B H 0.9120 0.1324 0.8872 0.055 Uiso 1 1 calc R . .
C4 C 1.0793(8) 0.3056(2) 0.95597(14) 0.0417(9) Uani 1 1 d . . .
H4A H 1.1795 0.3450 0.9708 0.050 Uiso 1 1 calc R . .
H4B H 0.9163 0.3134 0.9615 0.050 Uiso 1 1 calc R . .
C5 C 1.0764(7) 0.3046(2) 0.90092(13) 0.0338(8) Uani 1 1 d . . .
H5A H 1.0099 0.3491 0.8862 0.041 Uiso 1 1 calc R . .
H5B H 1.2395 0.2991 0.8949 0.041 Uiso 1 1 calc R . .
C6 C 0.9201(7) 0.2417(2) 0.87935(15) 0.0420(10) Uani 1 1 d . . .
H6A H 0.7553 0.2486 0.8851 0.050 Uiso 1 1 calc R . .
C7 C 0.8011(7) 0.2963(2) 0.79175(15) 0.0441(10) Uani 1 1 d . . .
H7 H 0.9041 0.3388 0.7985 0.053 Uiso 1 1 calc R . .
C8 C 0.7622(8) 0.0895(2) 0.53193(15) 0.0439(10) Uani 1 1 d . . .
H8A H 0.9377 0.0904 0.5385 0.053 Uiso 1 1 calc R . .
H8B H 0.7069 0.0888 0.4969 0.053 Uiso 1 1 calc R . .
C9 C 0.6724(8) 0.0211(2) 0.55478(15) 0.0414(10) Uani 1 1 d . . .
H9A H 0.4974 0.0184 0.5460 0.050 Uiso 1 1 calc R . .
H9B H 0.7390 -0.0210 0.5418 0.050 Uiso 1 1 calc R . .
C10 C 0.7489(7) 0.0222(2) 0.60996(13) 0.0358(9) Uani 1 1 d . . .
H10A H 0.9240 0.0214 0.6188 0.043 Uiso 1 1 calc R . .
H10B H 0.6869 -0.0200 0.6237 0.043 Uiso 1 1 calc R . .
C11 C 0.6514(8) 0.0899(2) 0.63109(15) 0.0411(9) Uani 1 1 d . . .
H11 H 0.4741 0.0893 0.6243 0.049 Uiso 1 1 calc R . .
C12 C 0.7444(8) 0.1572(2) 0.60805(15) 0.0428(10) Uani 1 1 d . . .
H12A H 0.6808 0.1999 0.6210 0.051 Uiso 1 1 calc R . .
H12B H 0.9195 0.1590 0.6166 0.051 Uiso 1 1 calc R . .
C13 C 0.6668(8) 0.1560(2) 0.55306(15) 0.0445(11) Uani 1 1 d . . .
H13A H 0.7279 0.1984 0.5393 0.053 Uiso 1 1 calc R . .
H13B H 0.4916 0.1568 0.5445 0.053 Uiso 1 1 calc R . .
C14 C 0.6844(7) 0.0343(2) 0.71660(15) 0.0437(10) Uani 1 1 d . . .
H14 H 0.7628 -0.0099 0.7089 0.052 Uiso 1 1 calc R . .
C15 C 0.6821(8) 0.4166(2) 0.59620(15) 0.0470(11) Uani 1 1 d . . .
H15 H 0.7876 0.3805 0.6098 0.056 Uiso 1 1 calc R . .
C16 C 0.6674(8) 0.4352(2) 0.54969(16) 0.0483(11) Uani 1 1 d . . .
H16 H 0.7662 0.4116 0.5316 0.058 Uiso 1 1 calc R . .
C17 C 0.5083(7) 0.4892(2) 0.52615(15) 0.0400(9) Uani 1 1 d . . .
C18 C 0.3652(8) 0.5227(2) 0.55653(16) 0.0502(11) Uani 1 1 d . . .
H18 H 0.2570 0.5583 0.5432 0.060 Uiso 1 1 calc R . .
C19 C 0.3795(8) 0.5052(2) 0.60365(16) 0.0476(11) Uani 1 1 d . . .
H19 H 0.2839 0.5288 0.6224 0.057 Uiso 1 1 calc R . .
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
O10 Co1 O3 92.06(11) . 1_455
O10 Co1 O1 92.79(12) . .
O3 Co1 O1 101.82(11) 1_455 .
O10 Co1 O4 172.38(12) . .
O3 Co1 O4 88.23(11) 1_455 .
O1 Co1 O4 94.61(12) . .
O10 Co1 O7 92.52(11) . .
O3 Co1 O7 168.87(11) 1_455 .
O1 Co1 O7 88.09(11) . .
O4 Co1 O7 85.90(11) . .
O8 Co2 O2 175.03(12) 2_656 .
O8 Co2 O5 92.09(11) 2_656 .
O2 Co2 O5 92.88(11) . .
O8 Co2 O11 85.19(11) 2_656 2_656
O2 Co2 O11 95.27(11) . 2_656
O5 Co2 O11 87.19(11) . 2_656
O8 Co2 O1W 87.98(12) 2_656 .
O2 Co2 O1W 92.45(12) . .
O5 Co2 O1W 82.57(11) . .
O11 Co2 O1W 167.47(12) 2_656 .
O8 Co2 N3 85.00(11) 2_656 .
O2 Co2 N3 90.06(12) . .
O5 Co2 N3 170.60(12) . .
O11 Co2 N3 101.43(12) 2_656 .
O1W Co2 N3 88.39(12) . .
O3 P1 O2 114.23(17) . .
O3 P1 O1 110.08(16) . .
O2 P1 O1 111.52(16) . .
O3 P1 C7 107.97(17) . .
O2 P1 C7 106.69(19) . .
O1 P1 C7 105.89(18) . .
O5 P2 O4 118.46(17) . .
O5 P2 O6 111.41(16) . .
O4 P2 O6 107.32(17) . .
O5 P2 C7 106.87(19) . .
O4 P2 C7 104.80(19) . .
O6 P2 C7 107.30(17) . .
O8 P3 O7 118.73(17) . .
O8 P3 O9 109.06(16) . .
O7 P3 O9 106.37(16) . .
O8 P3 C14 107.83(18) . .
O7 P3 C14 106.51(17) . .
O9 P3 C14 107.91(19) . .
O12 P4 O10 112.58(15) . .
O12 P4 O11 115.14(17) . .
O10 P4 O11 108.92(17) . .
O12 P4 C14 108.64(18) . .
O10 P4 C14 103.84(18) . .
O11 P4 C14 106.95(17) . .
P1 O1 Co1 134.79(17) . .
Co2 O1W H2 109.5 . .
Co2 O1W H1 109.3 . .
H2 O1W H1 109.4 . .
P1 O2 Co2 122.22(17) . .
P1 O3 Co1 155.62(18) . 1_655
P2 O4 Co1 119.75(18) . .
P2 O5 Co2 137.64(17) . .
P2 O6 H6B 104.1 . .
P3 O7 Co1 134.37(17) . .
P3 O8 Co2 127.75(16) . 2_646
P3 O9 H9 120.0 . .
P4 O10 Co1 124.69(16) . .
P4 O11 Co2 127.94(17) . 2_646
C7 N1 C6 120.9(3) . .
C7 N1 H1C 107.2 . .
C6 N1 H1C 107.4 . .
C7 N1 H1D 107.0 . .
C6 N1 H1D 106.9 . .
H1C N1 H1D 106.9 . .
C11 N2 C14 119.4(3) . .
C11 N2 H2C 107.1 . .
C14 N2 H2C 107.5 . .
C11 N2 H2D 107.5 . .
C14 N2 H2D 107.5 . .
H2C N2 H2D 107.2 . .
C19 N3 C15 120.2(4) . .
C19 N3 Co2 115.6(3) . .
C15 N3 Co2 123.1(2) . .
C2 C1 C4 109.8(3) . .
C2 C1 H1A 109.7 . .
C4 C1 H1A 109.7 . .
C2 C1 H1B 109.7 . .
C4 C1 H1B 109.7 . .
H1A C1 H1B 108.2 . .
C1 C2 C3 113.1(4) . .
C1 C2 H2A 109.0 . .
C3 C2 H2A 109.0 . .
C1 C2 H2B 109.0 . .
C3 C2 H2B 109.0 . .
H2A C2 H2B 107.8 . .
C6 C3 C2 109.0(4) . .
C6 C3 H3A 109.9 . .
C2 C3 H3A 109.9 . .
C6 C3 H3B 109.9 . .
C2 C3 H3B 109.9 . .
H3A C3 H3B 108.3 . .
C1 C4 C5 111.6(4) . .
C1 C4 H4A 109.3 . .
C5 C4 H4A 109.3 . .
C1 C4 H4B 109.3 . .
C5 C4 H4B 109.3 . .
H4A C4 H4B 108.0 . .
C6 C5 C4 107.5(3) . .
C6 C5 H5A 110.2 . .
C4 C5 H5A 110.2 . .
C6 C5 H5B 110.2 . .
C4 C5 H5B 110.2 . .
H5A C5 H5B 108.5 . .
C3 C6 N1 107.6(3) . .
C3 C6 C5 112.0(3) . .
N1 C6 C5 109.8(3) . .
C3 C6 H6A 109.1 . .
N1 C6 H6A 109.1 . .
C5 C6 H6A 109.2 . .
N1 C7 P2 112.3(3) . .
N1 C7 P1 110.8(3) . .
P2 C7 P1 109.7(2) . .
N1 C7 H7 108.0 . .
P2 C7 H7 108.0 . .
P1 C7 H7 108.0 . .
C13 C8 C9 110.3(3) . .
C13 C8 H8A 109.6 . .
C9 C8 H8A 109.6 . .
C13 C8 H8B 109.6 . .
C9 C8 H8B 109.6 . .
H8A C8 H8B 108.1 . .
C10 C9 C8 110.7(3) . .
C10 C9 H9A 109.5 . .
C8 C9 H9A 109.5 . .
C10 C9 H9B 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 108.1 . .
C9 C10 C11 110.3(3) . .
C9 C10 H10A 109.6 . .
C11 C10 H10A 109.6 . .
C9 C10 H10B 109.6 . .
C11 C10 H10B 109.6 . .
H10A C10 H10B 108.1 . .
N2 C11 C10 110.3(3) . .
N2 C11 C12 107.3(3) . .
C10 C11 C12 109.5(3) . .
N2 C11 H11 109.9 . .
C10 C11 H11 109.9 . .
C12 C11 H11 109.9 . .
C13 C12 C11 110.8(3) . .
C13 C12 H12A 109.5 . .
C11 C12 H12A 109.5 . .
C13 C12 H12B 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 108.1 . .
C12 C13 C8 110.6(3) . .
C12 C13 H13A 109.5 . .
C8 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
C8 C13 H13B 109.5 . .
H13A C13 H13B 108.1 . .
N2 C14 P3 111.2(3) . .
N2 C14 P4 110.6(3) . .
P3 C14 P4 106.8(2) . .
N2 C14 H14 109.4 . .
P3 C14 H14 109.4 . .
P4 C14 H14 109.4 . .
C16 C15 N3 119.4(4) . .
C16 C15 H15 120.3 . .
N3 C15 H15 120.3 . .
C15 C16 C17 123.5(4) . .
C15 C16 H16 118.2 . .
C17 C16 H16 118.2 . .
C18 C17 C16 114.5(4) . .
C18 C17 C17 121.7(4) . 3_666
C16 C17 C17 123.8(5) . 3_666
C19 C18 C17 122.8(4) . .
C19 C18 H18 118.6 . .
C17 C18 H18 118.6 . .
C18 C19 N3 119.6(4) . .
C18 C19 H19 120.2 . .
N3 C19 H19 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O10 2.028(3) .
Co1 O3 2.028(3) 1_455
Co1 O1 2.057(3) .
Co1 O4 2.061(3) .
Co1 O7 2.181(3) .
Co2 O8 2.066(3) 2_656
Co2 O2 2.075(3) .
Co2 O5 2.119(3) .
Co2 O11 2.134(3) 2_656
Co2 O1W 2.143(3) .
Co2 N3 2.231(4) .
P1 O3 1.511(3) .
P1 O2 1.514(3) .
P1 O1 1.531(3) .
P1 C7 1.850(4) .
P2 O5 1.499(3) .
P2 O4 1.522(3) .
P2 O6 1.565(3) .
P2 C7 1.822(5) .
P3 O8 1.498(3) .
P3 O7 1.521(3) .
P3 O9 1.577(3) .
P3 C14 1.823(4) .
P4 O12 1.503(3) .
P4 O10 1.541(3) .
P4 O11 1.546(3) .
P4 C14 1.844(4) .
O1W H2 0.9606 .
O1W H1 0.9586 .
O3 Co1 2.028(3) 1_655
O6 H6B 0.8490 .
O8 Co2 2.066(3) 2_646
O9 H9 0.8500 .
O11 Co2 2.134(3) 2_646
N1 C7 1.496(5) .
N1 C6 1.513(5) .
N1 H1C 0.9001 .
N1 H1D 0.8987 .
N2 C11 1.481(5) .
N2 C14 1.506(5) .
N2 H2C 0.8985 .
N2 H2D 0.8992 .
N3 C19 1.390(5) .
N3 C15 1.393(5) .
C1 C2 1.506(5) .
C1 C4 1.520(6) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 C3 1.512(6) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C6 1.511(6) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C5 1.535(5) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.521(5) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 H6A 0.9800 .
C7 H7 0.9800 .
C8 C13 1.517(6) .
C8 C9 1.555(5) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.519(5) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.540(5) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.548(6) .
C11 H11 0.9800 .
C12 C13 1.515(6) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14 0.9800 .
C15 C16 1.332(6) .
C15 H15 0.9300 .
C16 C17 1.424(5) .
C16 H16 0.9300 .
C17 C18 1.422(6) .
C17 C17 1.501(8) 3_666
C18 C19 1.344(6) .
C18 H18 0.9300 .
C19 H19 0.9300 .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O3 P1 O1 Co1 102.6(2) . . . .
O2 P1 O1 Co1 -129.6(2) . . . .
C7 P1 O1 Co1 -13.9(3) . . . .
O10 Co1 O1 P1 -148.2(2) . . . .
O3 Co1 O1 P1 119.1(2) 1_455 . . .
O4 Co1 O1 P1 29.9(2) . . . .
O7 Co1 O1 P1 -55.8(2) . . . .
O3 P1 O2 Co2 -178.88(16) . . . .
O1 P1 O2 Co2 55.5(2) . . . .
C7 P1 O2 Co2 -59.7(2) . . . .
O5 Co2 O2 P1 17.6(2) . . . .
O11 Co2 O2 P1 105.01(19) 2_656 . . .
O1W Co2 O2 P1 -65.1(2) . . . .
N3 Co2 O2 P1 -153.5(2) . . . .
O2 P1 O3 Co1 117.7(4) . . . 1_655
O1 P1 O3 Co1 -115.9(4) . . . 1_655
C7 P1 O3 Co1 -0.8(5) . . . 1_655
O5 P2 O4 Co1 56.9(2) . . . .
O6 P2 O4 Co1 -175.93(16) . . . .
C7 P2 O4 Co1 -62.1(2) . . . .
O3 Co1 O4 P2 -86.89(19) 1_455 . . .
O1 Co1 O4 P2 14.83(19) . . . .
O7 Co1 O4 P2 102.57(19) . . . .
O4 P2 O5 Co2 -118.2(2) . . . .
O6 P2 O5 Co2 116.7(2) . . . .
C7 P2 O5 Co2 -0.3(3) . . . .
O8 Co2 O5 P2 -162.7(2) 2_656 . . .
O2 Co2 O5 P2 17.5(3) . . . .
O11 Co2 O5 P2 -77.6(3) 2_656 . . .
O1W Co2 O5 P2 109.6(3) . . . .
O8 P3 O7 Co1 -115.3(2) . . . .
O9 P3 O7 Co1 121.4(2) . . . .
C14 P3 O7 Co1 6.5(3) . . . .
O10 Co1 O7 P3 16.3(3) . . . .
O3 Co1 O7 P3 130.5(5) 1_455 . . .
O1 Co1 O7 P3 -76.4(3) . . . .
O4 Co1 O7 P3 -171.2(3) . . . .
O7 P3 O8 Co2 74.6(2) . . . 2_646
O9 P3 O8 Co2 -163.47(18) . . . 2_646
C14 P3 O8 Co2 -46.5(3) . . . 2_646
O12 P4 O10 Co1 -176.56(18) . . . .
O11 P4 O10 Co1 54.5(2) . . . .
C14 P4 O10 Co1 -59.2(2) . . . .
O3 Co1 O10 P4 -155.0(2) 1_455 . . .
O1 Co1 O10 P4 103.0(2) . . . .
O7 Co1 O10 P4 14.8(2) . . . .
O12 P4 O11 Co2 82.6(2) . . . 2_646
O10 P4 O11 Co2 -149.86(19) . . . 2_646
C14 P4 O11 Co2 -38.2(3) . . . 2_646
O8 Co2 N3 C19 -1.3(3) 2_656 . . .
O2 Co2 N3 C19 179.3(3) . . . .
O11 Co2 N3 C19 -85.3(3) 2_656 . . .
O1W Co2 N3 C19 86.8(3) . . . .
O8 Co2 N3 C15 -169.1(3) 2_656 . . .
O2 Co2 N3 C15 11.5(3) . . . .
O11 Co2 N3 C15 106.9(3) 2_656 . . .
O1W Co2 N3 C15 -81.0(3) . . . .
C4 C1 C2 C3 55.1(5) . . . .
C1 C2 C3 C6 -55.7(5) . . . .
C2 C1 C4 C5 -56.4(5) . . . .
C1 C4 C5 C6 58.3(4) . . . .
C2 C3 C6 N1 179.2(3) . . . .
C2 C3 C6 C5 58.6(5) . . . .
C7 N1 C6 C3 173.4(4) . . . .
C7 N1 C6 C5 -64.5(5) . . . .
C4 C5 C6 C3 -59.9(5) . . . .
C4 C5 C6 N1 -179.3(3) . . . .
C6 N1 C7 P2 -49.9(4) . . . .
C6 N1 C7 P1 -172.9(3) . . . .
O5 P2 C7 N1 -169.1(3) . . . .
O4 P2 C7 N1 -42.5(3) . . . .
O6 P2 C7 N1 71.3(3) . . . .
O5 P2 C7 P1 -45.5(3) . . . .
O4 P2 C7 P1 81.1(2) . . . .
O6 P2 C7 P1 -165.1(2) . . . .
O3 P1 C7 N1 -34.3(3) . . . .
O2 P1 C7 N1 -157.5(3) . . . .
O1 P1 C7 N1 83.6(3) . . . .
O3 P1 C7 P2 -158.8(2) . . . .
O2 P1 C7 P2 78.0(3) . . . .
O1 P1 C7 P2 -40.9(3) . . . .
C13 C8 C9 C10 -57.2(4) . . . .
C8 C9 C10 C11 57.4(4) . . . .
C14 N2 C11 C10 -59.7(5) . . . .
C14 N2 C11 C12 -178.8(3) . . . .
C9 C10 C11 N2 -175.4(3) . . . .
C9 C10 C11 C12 -57.6(4) . . . .
N2 C11 C12 C13 177.9(3) . . . .
C10 C11 C12 C13 58.2(4) . . . .
C11 C12 C13 C8 -58.7(5) . . . .
C9 C8 C13 C12 57.5(5) . . . .
C11 N2 C14 P3 -173.7(3) . . . .
C11 N2 C14 P4 -55.2(4) . . . .
O8 P3 C14 N2 -165.2(3) . . . .
O7 P3 C14 N2 66.3(3) . . . .
O9 P3 C14 N2 -47.5(3) . . . .
O8 P3 C14 P4 74.0(2) . . . .
O7 P3 C14 P4 -54.4(2) . . . .
O9 P3 C14 P4 -168.29(17) . . . .
O12 P4 C14 N2 82.1(3) . . . .
O10 P4 C14 N2 -38.0(3) . . . .
O11 P4 C14 N2 -153.1(3) . . . .
O12 P4 C14 P3 -156.79(18) . . . .
O10 P4 C14 P3 83.2(2) . . . .
O11 P4 C14 P3 -31.9(3) . . . .
C19 N3 C15 C16 0.3(7) . . . .
Co2 N3 C15 C16 167.6(3) . . . .
N3 C15 C16 C17 -0.7(7) . . . .
C15 C16 C17 C18 0.4(7) . . . .
C15 C16 C17 C17 179.7(5) . . . 3_666
C16 C17 C18 C19 0.4(7) . . . .
C17 C17 C18 C19 -178.9(5) 3_666 . . .
C17 C18 C19 N3 -0.7(7) . . . .
C15 N3 C19 C18 0.4(7) . . . .
Co2 N3 C19 C18 -167.8(4) . . . .
