#------------------------------------------------------------------------------
#$Date: 2019-09-10 02:59:19 +0200 (mar 10 de sep de 2019) $
#$Revision: 218114 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/11/7701115.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_7701115
loop_
_publ_author_name
'Feng, Lu'
'Pan, Zhi-Quan'
'Zhou, Hong'
'Zhou, Min'
'Hou, Hao-Bo'
_publ_section_title
;
 Water-mediated proton conduction in Ni(ii) and Co(ii)
 benzenetriphosphonates
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C9DT02960E
_journal_year                    2019
_chemical_formula_moiety
'C20 H26 Co N4 O4, C10 H16 Co N2 O4, 2(C9 H12 O9 P3), 6(H2 O)'
_chemical_formula_sum            'C48 H78 Co2 N6 O32 P6'
_chemical_formula_weight         1554.84
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-06-12 deposited with the CCDC.    2019-09-09 downloaded from the CCDC.
;
_cell_angle_alpha                107.348(2)
_cell_angle_beta                 100.689(2)
_cell_angle_gamma                101.407(2)
_cell_formula_units_Z            1
_cell_length_a                   11.3714(7)
_cell_length_b                   11.8312(7)
_cell_length_c                   13.1735(7)
_cell_measurement_reflns_used    4642
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.31
_cell_measurement_theta_min      2.84
_cell_volume                     1600.70(16)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_av_unetI/netI     0.0617
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13480
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         2.733
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.765
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6993
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_crystal_density_diffrn    1.613
_exptl_crystal_description       block
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.270
_refine_diff_density_max         0.381
_refine_diff_density_min         -0.412
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     481
_refine_ls_number_reflns         5790
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0678
_refine_ls_R_factor_gt           0.0404
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0337P)²+1.1640P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0792
_refine_ls_wR_factor_ref         0.0878
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4342
_reflns_number_total             5790
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt02960e2.cif
_cod_data_source_block           1_CCDC1
_cod_original_cell_volume        1600.69(16)
_cod_database_code               7701115
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.797
_shelx_estimated_absorpt_t_max   0.820
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
C1 C 0.9161(3) 0.8339(3) 0.6039(2) 0.0150(7) Uani 1 1 d . . .
C2 C 0.8967(3) 0.7664(3) 0.4931(2) 0.0155(7) Uani 1 1 d . . .
H2 H 0.9540 0.7906 0.4544 0.019 Uiso 1 1 calc R U .
C3 C 0.7954(3) 0.6645(3) 0.4375(2) 0.0151(7) Uani 1 1 d . . .
C4 C 0.7096(3) 0.6318(3) 0.4935(2) 0.0155(7) Uani 1 1 d . . .
H4 H 0.6396 0.5626 0.4560 0.019 Uiso 1 1 calc R U .
C5 C 0.7250(3) 0.6995(3) 0.6042(2) 0.0144(7) Uani 1 1 d . . .
C6 C 0.8296(3) 0.7996(3) 0.6584(2) 0.0141(7) Uani 1 1 d . . .
H6 H 0.8418 0.8451 0.7341 0.017 Uiso 1 1 calc R U .
C7 C 1.0293(3) 0.9424(3) 0.6642(2) 0.0155(7) Uani 1 1 d . . .
H7A H 1.0201 0.9843 0.7383 0.019 Uiso 1 1 calc R U .
H7B H 1.0300 1.0013 0.6242 0.019 Uiso 1 1 calc R U .
C8 C 0.7813(3) 0.5877(3) 0.3187(2) 0.0174(7) Uani 1 1 d . . .
H8A H 0.7325 0.5029 0.3048 0.021 Uiso 1 1 calc R U .
H8B H 0.8649 0.5836 0.3093 0.021 Uiso 1 1 calc R U .
C9 C 0.6335(3) 0.6594(3) 0.6645(2) 0.0157(7) Uani 1 1 d . . .
H9A H 0.5495 0.6233 0.6131 0.019 Uiso 1 1 calc R U .
H9B H 0.6308 0.7318 0.7248 0.019 Uiso 1 1 calc R U .
C10 C 0.0807(3) 0.7259(3) 0.2111(2) 0.0180(7) Uani 1 1 d . . .
H10 H -0.0059 0.7060 0.2058 0.022 Uiso 1 1 calc R U .
C11 C 0.1552(3) 0.8344(3) 0.2892(2) 0.0175(7) Uani 1 1 d . . .
H11 H 0.1208 0.8866 0.3381 0.021 Uiso 1 1 calc R U .
C12 C 0.2815(3) 0.8672(3) 0.2961(2) 0.0132(7) Uani 1 1 d . . .
C13 C 0.3277(3) 0.7834(3) 0.2265(2) 0.0136(7) Uani 1 1 d . . .
H13 H 0.4140 0.8008 0.2304 0.016 Uiso 1 1 calc R U .
C14 C 0.2469(3) 0.6751(3) 0.1521(2) 0.0136(7) Uani 1 1 d . . .
H14 H 0.2798 0.6181 0.1060 0.016 Uiso 1 1 calc R U .
C15 C 0.5300(3) 1.1662(3) 0.4136(2) 0.0172(7) Uani 1 1 d . . .
H15 H 0.5946 1.2113 0.3930 0.021 Uiso 1 1 calc R U .
C16 C 0.4572(3) 1.0533(3) 0.3412(2) 0.0161(7) Uani 1 1 d . . .
H16 H 0.4710 1.0199 0.2707 0.019 Uiso 1 1 calc R U .
C17 C 0.3630(3) 0.9884(3) 0.3730(2) 0.0133(7) Uani 1 1 d . . .
C18 C 0.3458(3) 1.0404(3) 0.4768(2) 0.0153(7) Uani 1 1 d . . .
H18 H 0.2824 0.9975 0.5002 0.018 Uiso 1 1 calc R U .
C19 C 0.4202(3) 1.1535(3) 0.5453(2) 0.0173(7) Uani 1 1 d . . .
H19 H 0.4079 1.1896 0.6159 0.021 Uiso 1 1 calc R U .
C20 C 0.2309(3) -0.0988(3) 0.0080(3) 0.0223(8) Uani 1 1 d . . .
H20 H 0.2562 -0.1715 0.0039 0.027 Uiso 1 1 calc R U .
C21 C 0.1076(3) -0.1036(3) 0.0014(3) 0.0224(8) Uani 1 1 d . . .
H21 H 0.0508 -0.1779 -0.0057 0.027 Uiso 1 1 calc R U .
C22 C 0.0661(3) -0.0003(3) 0.0049(2) 0.0151(7) Uani 1 1 d . . .
C23 C 0.1563(3) 0.1059(3) 0.0194(3) 0.0352(10) Uani 1 1 d . . .
H23 H 0.1341 0.1803 0.0246 0.042 Uiso 1 1 calc R U .
C24 C 0.2771(3) 0.1027(3) 0.0261(3) 0.0322(9) Uani 1 1 d . . .
H24 H 0.3364 0.1765 0.0358 0.039 Uiso 1 1 calc R U .
Co1 Co 0.0000 0.5000 0.0000 0.01021(14) Uani 1 2 d S . P
Co2 Co 0.5000 0.0000 0.0000 0.01194(14) Uani 1 2 d S . P
N1 N 0.1245(2) 0.6463(2) 0.14172(19) 0.0140(6) Uani 1 1 d . . .
N2 N 0.5105(2) 1.2132(2) 0.5129(2) 0.0169(6) Uani 1 1 d . . .
H2E H 0.559(3) 1.286(3) 0.559(3) 0.020 Uiso 1 1 d . U .
N3 N 0.3169(2) 0.0028(2) 0.0198(2) 0.0168(6) Uani 1 1 d . . .
O1 O 1.27658(19) 1.03058(19) 0.72856(17) 0.0181(5) Uani 1 1 d . . .
O2 O 1.1875(2) 0.8220(2) 0.74365(17) 0.0208(5) Uani 1 1 d . . .
O3 O 1.1879(2) 0.8461(2) 0.55938(17) 0.0202(5) Uani 1 1 d D . .
H3C H 1.167(3) 0.7716(17) 0.532(3) 0.024 Uiso 1 1 d D U .
O4 O 0.58079(19) 0.65260(19) 0.22771(16) 0.0158(5) Uani 1 1 d . . .
O5 O 0.71130(19) 0.55427(19) 0.10541(16) 0.0167(5) Uani 1 1 d . . .
O6 O 0.7962(2) 0.7708(2) 0.23731(19) 0.0225(5) Uani 1 1 d D . .
H6C H 0.766(3) 0.829(2) 0.243(3) 0.027 Uiso 1 1 d D U .
O7 O 0.6556(2) 0.42898(19) 0.62675(17) 0.0207(5) Uani 1 1 d . . .
O8 O 0.80842(19) 0.6031(2) 0.79032(16) 0.0178(5) Uani 1 1 d . . .
O9 O 0.5893(2) 0.5323(2) 0.79777(18) 0.0212(5) Uani 1 1 d D . .
H9C H 0.532(3) 0.470(2) 0.784(3) 0.025 Uiso 1 1 d D U .
O10 O -0.11773(19) 0.6138(2) -0.00961(16) 0.0148(5) Uani 1 1 d D . .
H10C H -0.171(2) 0.609(3) 0.022(2) 0.018 Uiso 1 1 d D U .
H10D H -0.140(3) 0.605(3) -0.0729(15) 0.018 Uiso 1 1 d D U .
O11 O -0.1063(2) 0.4321(2) 0.09499(17) 0.0174(5) Uani 1 1 d D . .
H11C H -0.072(3) 0.426(3) 0.1523(19) 0.021 Uiso 1 1 d D U .
H11D H -0.165(2) 0.462(3) 0.105(2) 0.021 Uiso 1 1 d D U .
O12 O 0.5220(2) -0.1070(2) 0.10076(17) 0.0175(5) Uani 1 1 d D . .
H12C H 0.509(3) -0.1797(17) 0.066(2) 0.021 Uiso 1 1 d D U .
H12D H 0.584(2) -0.082(3) 0.1507(19) 0.021 Uiso 1 1 d D U .
O13 O 0.5830(2) 0.1604(2) 0.14093(18) 0.0191(5) Uani 1 1 d D . .
H13C H 0.653(2) 0.166(3) 0.177(2) 0.023 Uiso 1 1 d D U .
H13D H 0.581(3) 0.227(2) 0.137(3) 0.023 Uiso 1 1 d D U .
O14 O 0.5345(2) 0.3398(2) 0.0550(2) 0.0281(6) Uani 1 1 d D . .
H14C H 0.591(2) 0.397(3) 0.057(3) 0.034 Uiso 1 1 d D U .
H14D H 0.482(2) 0.369(3) 0.081(3) 0.034 Uiso 1 1 d D U .
O15 O 0.0174(2) 0.6046(2) 0.71779(19) 0.0228(5) Uani 1 1 d D . .
H15C H 0.061(2) 0.668(2) 0.717(3) 0.027 Uiso 1 1 d D U .
H15D H -0.049(2) 0.617(3) 0.730(3) 0.027 Uiso 1 1 d D U .
O16 O 0.1463(3) 0.6109(3) 0.4628(3) 0.0540(9) Uani 1 1 d D . .
H16C H 0.203(3) 0.599(4) 0.436(3) 0.065 Uiso 1 1 d D U .
H16D H 0.082(2) 0.559(3) 0.430(3) 0.065 Uiso 1 1 d D U .
P1 P 1.17907(7) 0.90770(7) 0.68052(6) 0.01382(19) Uani 1 1 d . . .
P2 P 0.70743(7) 0.64150(7) 0.21495(6) 0.01273(18) Uani 1 1 d . . .
P3 P 0.67671(7) 0.54732(7) 0.72086(6) 0.01266(18) 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'
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
C6 C1 C2 118.6(3) . .
C6 C1 C7 120.6(3) . .
C2 C1 C7 120.9(3) . .
C3 C2 C1 121.6(3) . .
C3 C2 H2 119.2 . .
C1 C2 H2 119.2 . .
C2 C3 C4 119.0(3) . .
C2 C3 C8 120.3(3) . .
C4 C3 C8 120.7(3) . .
C3 C4 C5 120.8(3) . .
C3 C4 H4 119.6 . .
C5 C4 H4 119.6 . .
C6 C5 C4 118.7(3) . .
C6 C5 C9 121.3(3) . .
C4 C5 C9 119.9(3) . .
C1 C6 C5 121.3(3) . .
C1 C6 H6 119.3 . .
C5 C6 H6 119.3 . .
C1 C7 P1 116.3(2) . .
C1 C7 H7A 108.2 . .
P1 C7 H7A 108.2 . .
C1 C7 H7B 108.2 . .
P1 C7 H7B 108.2 . .
H7A C7 H7B 107.4 . .
C3 C8 P2 116.0(2) . .
C3 C8 H8A 108.3 . .
P2 C8 H8A 108.3 . .
C3 C8 H8B 108.3 . .
P2 C8 H8B 108.3 . .
H8A C8 H8B 107.4 . .
C5 C9 P3 110.9(2) . .
C5 C9 H9A 109.5 . .
P3 C9 H9A 109.5 . .
C5 C9 H9B 109.5 . .
P3 C9 H9B 109.5 . .
H9A C9 H9B 108.1 . .
N1 C10 C11 123.0(3) . .
N1 C10 H10 118.5 . .
C11 C10 H10 118.5 . .
C10 C11 C12 119.4(3) . .
C10 C11 H11 120.3 . .
C12 C11 H11 120.3 . .
C11 C12 C13 117.6(3) . .
C11 C12 C17 120.9(3) . .
C13 C12 C17 121.5(3) . .
C14 C13 C12 119.2(3) . .
C14 C13 H13 120.4 . .
C12 C13 H13 120.4 . .
N1 C14 C13 123.1(3) . .
N1 C14 H14 118.4 . .
C13 C14 H14 118.4 . .
N2 C15 C16 120.5(3) . .
N2 C15 H15 119.8 . .
C16 C15 H15 119.8 . .
C15 C16 C17 119.0(3) . .
C15 C16 H16 120.5 . .
C17 C16 H16 120.5 . .
C18 C17 C16 118.8(3) . .
C18 C17 C12 120.9(3) . .
C16 C17 C12 120.3(3) . .
C19 C18 C17 119.9(3) . .
C19 C18 H18 120.1 . .
C17 C18 H18 120.1 . .
N2 C19 C18 120.0(3) . .
N2 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
N3 C20 C21 123.5(3) . .
N3 C20 H20 118.2 . .
C21 C20 H20 118.2 . .
C20 C21 C22 120.2(3) . .
C20 C21 H21 119.9 . .
C22 C21 H21 119.9 . .
C21 C22 C23 116.1(3) . .
C21 C22 C22 123.1(3) . 2
C23 C22 C22 120.8(4) . 2
C24 C23 C22 119.9(3) . .
C24 C23 H23 120.1 . .
C22 C23 H23 120.1 . .
N3 C24 C23 124.3(3) . .
N3 C24 H24 117.9 . .
C23 C24 H24 117.9 . .
O10 Co1 O10 180.0 . 2_565
O10 Co1 O11 93.09(9) . 2_565
O10 Co1 O11 86.91(9) 2_565 2_565
O10 Co1 O11 86.91(9) . .
O10 Co1 O11 93.09(9) 2_565 .
O11 Co1 O11 180.0 2_565 .
O10 Co1 N1 91.18(9) . 2_565
O10 Co1 N1 88.82(9) 2_565 2_565
O11 Co1 N1 92.98(9) 2_565 2_565
O11 Co1 N1 87.02(9) . 2_565
O10 Co1 N1 88.82(9) . .
O10 Co1 N1 91.18(9) 2_565 .
O11 Co1 N1 87.02(9) 2_565 .
O11 Co1 N1 92.98(9) . .
N1 Co1 N1 180.0 2_565 .
O12 Co2 O12 180.0 2_655 .
O12 Co2 O13 89.08(8) 2_655 2_655
O12 Co2 O13 90.92(8) . 2_655
O12 Co2 O13 90.92(8) 2_655 .
O12 Co2 O13 89.08(8) . .
O13 Co2 O13 180.0 2_655 .
O12 Co2 N3 91.92(9) 2_655 2_655
O12 Co2 N3 88.08(9) . 2_655
O13 Co2 N3 91.73(9) 2_655 2_655
O13 Co2 N3 88.27(9) . 2_655
O12 Co2 N3 88.08(9) 2_655 .
O12 Co2 N3 91.92(9) . .
O13 Co2 N3 88.27(9) 2_655 .
O13 Co2 N3 91.73(9) . .
N3 Co2 N3 180.0 2_655 .
C14 N1 C10 117.4(3) . .
C14 N1 Co1 120.7(2) . .
C10 N1 Co1 120.7(2) . .
C19 N2 C15 121.9(3) . .
C19 N2 H2E 119(2) . .
C15 N2 H2E 119(2) . .
C24 N3 C20 116.0(3) . .
C24 N3 Co2 120.5(2) . .
C20 N3 Co2 122.6(2) . .
P1 O3 H3C 118(2) . .
P2 O6 H6C 118(3) . .
P3 O9 H9C 124(2) . .
Co1 O10 H10C 117(2) . .
Co1 O10 H10D 106(2) . .
H10C O10 H10D 117(3) . .
Co1 O11 H11C 120(2) . .
Co1 O11 H11D 115(2) . .
H11C O11 H11D 109(2) . .
Co2 O12 H12C 113(2) . .
Co2 O12 H12D 117(2) . .
H12C O12 H12D 112(3) . .
Co2 O13 H13C 117(2) . .
Co2 O13 H13D 119(2) . .
H13C O13 H13D 109(2) . .
H14C O14 H14D 108(3) . .
H15C O15 H15D 109(3) . .
H16C O16 H16D 113(3) . .
O2 P1 O1 116.10(12) . .
O2 P1 O3 110.68(13) . .
O1 P1 O3 106.58(12) . .
O2 P1 C7 111.75(13) . .
O1 P1 C7 106.18(13) . .
O3 P1 C7 104.78(13) . .
O4 P2 O5 116.36(12) . .
O4 P2 O6 110.69(13) . .
O5 P2 O6 108.39(12) . .
O4 P2 C8 110.35(13) . .
O5 P2 C8 105.63(14) . .
O6 P2 C8 104.70(14) . .
O8 P3 O7 115.09(13) . .
O8 P3 O9 108.82(12) . .
O7 P3 O9 111.81(12) . .
O8 P3 C9 107.06(13) . .
O7 P3 C9 108.32(14) . .
O9 P3 C9 105.16(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.388(4) .
C1 C2 1.391(4) .
C1 C7 1.514(4) .
C2 C3 1.389(4) .
C2 H2 0.9500 .
C3 C4 1.390(4) .
C3 C8 1.517(4) .
C4 C5 1.397(4) .
C4 H4 0.9500 .
C5 C6 1.397(4) .
C5 C9 1.508(4) .
C6 H6 0.9500 .
C7 P1 1.819(3) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 P2 1.812(3) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 P3 1.805(3) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 N1 1.347(4) .
C10 C11 1.372(4) .
C10 H10 0.9500 .
C11 C12 1.390(4) .
C11 H11 0.9500 .
C12 C13 1.393(4) .
C12 C17 1.484(4) .
C13 C14 1.378(4) .
C13 H13 0.9500 .
C14 N1 1.336(4) .
C14 H14 0.9500 .
C15 N2 1.339(4) .
C15 C16 1.375(4) .
C15 H15 0.9500 .
C16 C17 1.395(4) .
C16 H16 0.9500 .
C17 C18 1.391(4) .
C18 C19 1.367(4) .
C18 H18 0.9500 .
C19 N2 1.338(4) .
C19 H19 0.9500 .
C20 N3 1.339(4) .
C20 C21 1.377(5) .
C20 H20 0.9500 .
C21 C22 1.385(5) .
C21 H21 0.9500 .
C22 C23 1.393(4) .
C22 C22 1.487(6) 2
C23 C24 1.368(5) .
C23 H23 0.9500 .
C24 N3 1.333(4) .
C24 H24 0.9500 .
Co1 O10 2.091(2) .
Co1 O10 2.091(2) 2_565
Co1 O11 2.109(2) 2_565
Co1 O11 2.109(2) .
Co1 N1 2.147(2) 2_565
Co1 N1 2.147(2) .
Co2 O12 2.105(2) 2_655
Co2 O12 2.105(2) .
Co2 O13 2.117(2) 2_655
Co2 O13 2.117(2) .
Co2 N3 2.152(3) 2_655
Co2 N3 2.152(3) .
N2 H2E 0.89(3) .
O1 P1 1.516(2) .
O2 P1 1.497(2) .
O3 P1 1.576(2) .
O3 H3C 0.812(18) .
O4 P2 1.507(2) .
O5 P2 1.517(2) .
O6 P2 1.567(2) .
O6 H6C 0.819(18) .
O7 P3 1.509(2) .
O8 P3 1.502(2) .
O9 P3 1.567(2) .
O9 H9C 0.824(18) .
O10 H10C 0.796(17) .
O10 H10D 0.793(16) .
O11 H11C 0.814(17) .
O11 H11D 0.830(17) .
O12 H12C 0.814(17) .
O12 H12D 0.807(17) .
O13 H13C 0.824(17) .
O13 H13D 0.815(17) .
O14 H14C 0.826(17) .
O14 H14D 0.823(18) .
O15 H15C 0.816(17) .
O15 H15D 0.828(17) .
O16 H16C 0.809(18) .
O16 H16D 0.803(18) .
