#------------------------------------------------------------------------------
#$Date: 2026-03-04 12:23:17 +0100 (Wed 04 de Mar de 2026) $
#$Revision: 304757 $
#$URL: svn://www.crystallography.net/cod/cif/7/72/04/7720495.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_7720495
loop_
_publ_author_name
'Pattnaik, Archana Kumari'
'Behera, Gobinda Chandra'
_publ_section_title
;
 From discrete to polymeric assemblies: exploring supramolecular
 structural diversity in transition metal phosphinates with N-donor
 ligands.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              694
_journal_page_last               709
_journal_paper_doi               10.1039/d5dt01622c
_journal_volume                  55
_journal_year                    2026
_chemical_formula_sum            'C84 H98 Co2 N6 O22 P4'
_chemical_formula_weight         1785.42
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-09-10 deposited with the CCDC.	2025-12-01 downloaded from the CCDC.
;
_cell_angle_alpha                98.577(4)
_cell_angle_beta                 104.184(4)
_cell_angle_gamma                119.379(3)
_cell_formula_units_Z            1
_cell_length_a                   13.5255(16)
_cell_length_b                   13.5524(15)
_cell_length_c                   14.8154(16)
_cell_measurement_reflns_used    9861
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.49
_cell_measurement_theta_min      2.23
_cell_volume                     2174.6(4)
_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-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_unetI/netI     0.0486
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            32061
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.512
_diffrn_reflns_theta_min         1.953
_exptl_absorpt_coefficient_mu    0.530
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_description       block
_exptl_crystal_F_000             934
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.465
_refine_diff_density_min         -0.466
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         10882
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0340
_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)+(0.0515P)²+0.5944P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0943
_refine_ls_wR_factor_ref         0.0995
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9575
_reflns_number_total             10882
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt01622c2.cif
_cod_data_source_block           1_a_CCDC3
_cod_database_code               7720495
_shelx_shelxl_version_number     2018/3
_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.
;
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.000000 0.000000 0.500000 0.01226(7) Uani 1 2 d S . P . .
O1 O 0.09980(9) 0.07227(9) 0.41206(7) 0.0180(2) Uani 1 1 d . . . . .
H1A H 0.0568(18) 0.0744(17) 0.3652(15) 0.027 Uiso 1 1 d . U . . .
H1B H 0.1559(18) 0.0712(17) 0.4025(14) 0.027 Uiso 1 1 d . U . . .
N1 N 0.66335(10) 0.51730(10) 0.49942(8) 0.0134(2) Uani 1 1 d . . . . .
P1 P 0.30054(3) 0.10119(3) 0.28217(2) 0.01598(8) Uani 1 1 d . . . . .
C1 C 0.18412(12) -0.03385(12) 0.18216(10) 0.0162(3) Uani 1 1 d . . . . .
O2 O 0.11302(9) -0.05888(9) 0.55879(7) 0.0181(2) Uani 1 1 d . . . . .
H2B H 0.1904(19) -0.0146(18) 0.5692(14) 0.027 Uiso 1 1 d . U . . .
H2A H 0.1134(17) -0.0732(17) 0.6116(15) 0.027 Uiso 1 1 d . U . . .
Co2 Co 0.500000 0.500000 0.500000 0.01022(6) Uani 1 2 d S . P . .
N2 N 0.11999(10) 0.16725(10) 0.61930(8) 0.0147(2) Uani 1 1 d . . . . .
P2 P 0.66355(3) 0.38111(3) 0.74432(2) 0.01530(8) Uani 1 1 d . . . . .
C2 C 0.14575(13) -0.14686(13) 0.19028(10) 0.0190(3) Uani 1 1 d . . . . .
H2 H 0.174536 -0.155196 0.252098 0.023 Uiso 1 1 calc R U . . .
C3 C 0.06505(14) -0.24787(13) 0.10764(11) 0.0233(3) Uani 1 1 d . . . . .
H3 H 0.038809 -0.325094 0.113082 0.028 Uiso 1 1 calc R U . . .
N3 N 0.76285(12) 0.87782(11) 1.12333(9) 0.0238(3) Uani 1 1 d . . . . .
O3 O 0.42979(9) 0.43577(9) 0.34641(7) 0.01438(19) Uani 1 1 d . . . . .
H3A H 0.3903(17) 0.4615(16) 0.3149(13) 0.022 Uiso 1 1 d . U . . .
H3B H 0.3907(17) 0.3630(18) 0.3193(13) 0.022 Uiso 1 1 d . U . . .
C4 C 0.02317(14) -0.23550(14) 0.01763(11) 0.0251(3) Uani 1 1 d . . . . .
H4 H -0.031320 -0.304388 -0.038713 0.030 Uiso 1 1 calc R U . . .
O4 O 0.43402(9) 0.32563(9) 0.51089(7) 0.01507(19) Uani 1 1 d . . . . .
H4A H 0.4682(17) 0.3162(16) 0.5619(14) 0.023 Uiso 1 1 d . U . . .
H4B H 0.3962(17) 0.2576(18) 0.4711(14) 0.023 Uiso 1 1 d . U . . .
C5 C 0.06028(15) -0.12321(15) 0.00923(11) 0.0284(4) Uani 1 1 d . . . . .
H5 H 0.030978 -0.115191 -0.052617 0.034 Uiso 1 1 calc R U . . .
O5 O 0.53194(9) 0.29715(9) 0.67632(7) 0.0225(2) Uani 1 1 d . . . . .
C6 C 0.14027(14) -0.02266(14) 0.09132(10) 0.0243(3) Uani 1 1 d . . . . .
H6 H 0.165359 0.054286 0.085659 0.029 Uiso 1 1 calc R U . . .
O6 O 0.71388(9) 0.51279(9) 0.77312(7) 0.0203(2) Uani 1 1 d . . . . .
C7 C 0.44002(13) 0.12614(12) 0.27074(10) 0.0172(3) Uani 1 1 d . . . . .
O7 O 0.28970(10) 0.20172(9) 0.26215(8) 0.0233(2) Uani 1 1 d . . . . .
C8 C 0.50468(14) 0.08406(13) 0.32027(10) 0.0209(3) Uani 1 1 d . . . . .
H8 H 0.478900 0.045030 0.366017 0.025 Uiso 1 1 calc R U . . .
O8 O 0.29632(10) 0.08269(10) 0.37982(7) 0.0220(2) Uani 1 1 d . . . . .
C9 C 0.60656(14) 0.09874(14) 0.30330(11) 0.0247(3) Uani 1 1 d . . . . .
H9 H 0.650307 0.069662 0.337416 0.030 Uiso 1 1 calc R U . . .
O9 O 0.34670(10) 0.06519(10) 0.56741(8) 0.0225(2) Uani 1 1 d . . . . .
H9A H 0.3384(19) 0.0661(19) 0.5111(17) 0.034 Uiso 1 1 d . U . . .
H9B H 0.407(2) 0.134(2) 0.6055(16) 0.034 Uiso 1 1 d . U . . .
C10 C 0.64492(16) 0.15547(16) 0.23697(13) 0.0308(4) Uani 1 1 d . . . . .
H10 H 0.714375 0.164659 0.225025 0.037 Uiso 1 1 calc R U . . .
O10 O 0.11373(10) 0.25114(11) 0.21393(8) 0.0242(2) Uani 1 1 d . . . . .
H10A H 0.164(2) 0.2275(19) 0.2207(15) 0.036 Uiso 1 1 d . U . . .
H10B H 0.152(2) 0.318(2) 0.2136(15) 0.036 Uiso 1 1 d . U . . .
C11 C 0.58169(18) 0.19897(19) 0.18787(14) 0.0384(4) Uani 1 1 d . . . . .
H11 H 0.608183 0.238640 0.142650 0.046 Uiso 1 1 calc R U . . .
O11 O -0.05904(11) 0.08870(10) 0.27268(8) 0.0240(2) Uani 1 1 d . . . . .
H11B H -0.009(2) 0.142(2) 0.2513(15) 0.036 Uiso 1 1 d . U . . .
H11A H -0.112(2) 0.029(2) 0.2269(16) 0.036 Uiso 1 1 d . U . . .
C12 C 0.48049(16) 0.18451(16) 0.20484(12) 0.0294(4) Uani 1 1 d . . . . .
H12 H 0.437648 0.214669 0.171225 0.035 Uiso 1 1 calc R U . . .
C13 C 0.75541(14) 0.35144(14) 0.68991(10) 0.0196(3) Uani 1 1 d . . . . .
C14 C 0.70138(17) 0.24657(15) 0.61302(11) 0.0273(3) Uani 1 1 d . . . . .
H14 H 0.615097 0.192946 0.586311 0.033 Uiso 1 1 calc R U . . .
C15 C 0.7728(2) 0.22009(17) 0.57529(13) 0.0348(4) Uani 1 1 d . . . . .
H15 H 0.735398 0.148977 0.522287 0.042 Uiso 1 1 calc R U . . .
C16 C 0.89790(19) 0.29672(19) 0.61456(13) 0.0361(4) Uani 1 1 d . . . . .
H16 H 0.946784 0.277752 0.589311 0.043 Uiso 1 1 calc R U . . .
C17 C 0.95261(17) 0.40113(19) 0.69059(13) 0.0342(4) Uani 1 1 d . . . . .
H17 H 1.038998 0.453911 0.717188 0.041 Uiso 1 1 calc R U . . .
C19 C 0.68682(12) 0.33849(13) 0.85391(10) 0.0163(3) Uani 1 1 d . . . . .
C18 C 0.88234(14) 0.42926(16) 0.72818(11) 0.0254(3) Uani 1 1 d . . . . .
H18 H 0.920413 0.501558 0.780078 0.031 Uiso 1 1 calc R U . . .
C20 C 0.63157(15) 0.21770(14) 0.84634(12) 0.0238(3) Uani 1 1 d . . . . .
H20 H 0.574576 0.158510 0.784645 0.029 Uiso 1 1 calc R U . . .
C21 C 0.65865(18) 0.18290(17) 0.92752(14) 0.0326(4) Uani 1 1 d . . . . .
H21 H 0.620218 0.100521 0.921447 0.039 Uiso 1 1 calc R U . . .
C22 C 0.74166(17) 0.26865(19) 1.01701(13) 0.0347(4) Uani 1 1 d . . . . .
H22 H 0.761758 0.245257 1.072479 0.042 Uiso 1 1 calc R U . . .
C23 C 0.79602(15) 0.38902(18) 1.02643(12) 0.0318(4) Uani 1 1 d . . . . .
H23 H 0.852130 0.447676 1.088560 0.038 Uiso 1 1 calc R U . . .
C24 C 0.76860(13) 0.42415(15) 0.94511(11) 0.0236(3) Uani 1 1 d . . . . .
H24 H 0.805761 0.506626 0.951918 0.028 Uiso 1 1 calc R U . . .
C25 C 0.23530(13) 0.24143(13) 0.62566(10) 0.0213(3) Uani 1 1 d . . . . .
H25 H 0.259449 0.219621 0.575159 0.026 Uiso 1 1 calc R U . . .
C26 C 0.32032(13) 0.34708(13) 0.70104(11) 0.0219(3) Uani 1 1 d . . . . .
H26 H 0.400147 0.396296 0.701194 0.026 Uiso 1 1 calc R U . . .
C27 C 0.28886(12) 0.38141(12) 0.77690(10) 0.0157(3) Uani 1 1 d . . . . .
C28 C 0.16878(12) 0.30646(13) 0.76948(10) 0.0178(3) Uani 1 1 d . . . . .
H28 H 0.141853 0.327169 0.818253 0.021 Uiso 1 1 calc R U . . .
C29 C 0.08861(12) 0.20177(12) 0.69105(10) 0.0170(3) Uani 1 1 d . . . . .
H29 H 0.007419 0.152029 0.687984 0.020 Uiso 1 1 calc R U . . .
C30 C 0.37572(13) 0.49031(12) 0.86167(10) 0.0177(3) Uani 1 1 d . . . . .
H30 H 0.343942 0.515496 0.903784 0.021 Uiso 1 1 calc R U . . .
C31 C 0.49588(12) 0.55625(12) 0.88367(10) 0.0179(3) Uani 1 1 d . . . . .
H31 H 0.526651 0.530272 0.841028 0.021 Uiso 1 1 calc R U . . .
C32 C 0.58511(12) 0.66522(12) 0.96759(10) 0.0166(3) Uani 1 1 d . . . . .
C33 C 0.55354(13) 0.71688(14) 1.03435(11) 0.0234(3) Uani 1 1 d . . . . .
H33 H 0.470638 0.680628 1.028112 0.028 Uiso 1 1 calc R U . . .
C34 C 0.64454(14) 0.82176(14) 1.10993(12) 0.0268(3) Uani 1 1 d . . . . .
H34 H 0.621402 0.855700 1.154764 0.032 Uiso 1 1 calc R U . . .
C35 C 0.79282(13) 0.82734(14) 1.06038(11) 0.0233(3) Uani 1 1 d . . . . .
H35 H 0.876679 0.864987 1.069368 0.028 Uiso 1 1 calc R U . . .
C36 C 0.70846(13) 0.72277(14) 0.98232(10) 0.0205(3) Uani 1 1 d . . . . .
H36 H 0.734788 0.690731 0.939274 0.025 Uiso 1 1 calc R U . . .
C37 C 0.87943(12) 0.53298(12) 0.50922(10) 0.0146(3) Uani 1 1 d . . . . .
C38 C 0.66185(12) 0.42573(13) 0.44914(11) 0.0214(3) Uani 1 1 d . . . . .
H38 H 0.585002 0.354486 0.409868 0.026 Uiso 1 1 calc R U . . .
C39 C 0.76566(13) 0.42942(13) 0.45138(12) 0.0220(3) Uani 1 1 d . . . . .
H39 H 0.760162 0.362298 0.414028 0.026 Uiso 1 1 calc R U . . .
C40 C 0.88066(12) 0.62874(12) 0.55870(10) 0.0176(3) Uani 1 1 d . . . . .
H40 H 0.956188 0.701880 0.596960 0.021 Uiso 1 1 calc R U . . .
C41 C 0.77195(12) 0.61808(12) 0.55252(10) 0.0156(3) Uani 1 1 d . . . . .
H41 H 0.774556 0.684715 0.587224 0.019 Uiso 1 1 calc R U . . .
C42 C 0.99474(12) 0.54327(12) 0.52027(10) 0.0166(3) Uani 1 1 d . . . . .
H42 H 1.067941 0.617936 0.559662 0.020 Uiso 1 1 calc R U . . .
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'
P P 0.1023 0.0942 '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
_geom_angle_publ_flag
O1 Co1 O1 180.00(3) 2_556 . ?
O1 Co1 O2 91.82(4) 2_556 2_556 ?
O1 Co1 O2 88.18(4) . 2_556 ?
O1 Co1 O2 88.18(4) 2_556 . ?
O1 Co1 O2 91.82(4) . . ?
O2 Co1 O2 180.0 2_556 . ?
O1 Co1 N2 90.72(4) 2_556 2_556 ?
O1 Co1 N2 89.28(4) . 2_556 ?
O2 Co1 N2 89.31(4) 2_556 2_556 ?
O2 Co1 N2 90.69(4) . 2_556 ?
O1 Co1 N2 89.28(4) 2_556 . ?
O1 Co1 N2 90.72(4) . . ?
O2 Co1 N2 90.69(4) 2_556 . ?
O2 Co1 N2 89.31(4) . . ?
N2 Co1 N2 180.0 2_556 . ?
C41 N1 C38 117.80(12) . . ?
C41 N1 Co2 121.25(9) . . ?
C38 N1 Co2 120.88(9) . . ?
O7 P1 O8 116.03(7) . . ?
O7 P1 C1 108.29(6) . . ?
O8 P1 C1 110.67(6) . . ?
O7 P1 C7 107.65(7) . . ?
O8 P1 C7 110.28(6) . . ?
C1 P1 C7 103.09(7) . . ?
C2 C1 C6 119.57(12) . . ?
C2 C1 P1 122.47(10) . . ?
C6 C1 P1 117.68(11) . . ?
O3 Co2 O3 180.00(2) . 2_666 ?
O3 Co2 N1 91.02(4) . 2_666 ?
O3 Co2 N1 88.98(4) 2_666 2_666 ?
O3 Co2 N1 88.98(4) . . ?
O3 Co2 N1 91.02(4) 2_666 . ?
N1 Co2 N1 180.00(6) 2_666 . ?
O3 Co2 O4 92.39(4) . . ?
O3 Co2 O4 87.60(4) 2_666 . ?
N1 Co2 O4 90.50(4) 2_666 . ?
N1 Co2 O4 89.50(4) . . ?
O3 Co2 O4 87.61(4) . 2_666 ?
O3 Co2 O4 92.39(4) 2_666 2_666 ?
N1 Co2 O4 89.50(4) 2_666 2_666 ?
N1 Co2 O4 90.50(4) . 2_666 ?
O4 Co2 O4 180.0 . 2_666 ?
C29 N2 C25 116.40(12) . . ?
C29 N2 Co1 124.14(9) . . ?
C25 N2 Co1 119.43(9) . . ?
O6 P2 O5 117.25(6) . . ?
O6 P2 C13 109.94(7) . . ?
O5 P2 C13 108.08(7) . . ?
O6 P2 C19 109.40(6) . . ?
O5 P2 C19 109.10(6) . . ?
C13 P2 C19 101.97(6) . . ?
C1 C2 C3 119.96(13) . . ?
C4 C3 C2 119.91(14) . . ?
C35 N3 C34 116.83(13) . . ?
C3 C4 C5 120.39(13) . . ?
C6 C5 C4 119.81(14) . . ?
C5 C6 C1 120.34(14) . . ?
C8 C7 C12 118.83(14) . . ?
C8 C7 P1 122.94(11) . . ?
C12 C7 P1 118.13(12) . . ?
C9 C8 C7 120.30(14) . . ?
C10 C9 C8 120.33(15) . . ?
C9 C10 C11 119.80(16) . . ?
C12 C11 C10 119.86(16) . . ?
C11 C12 C7 120.86(15) . . ?
C14 C13 C18 119.04(15) . . ?
C14 C13 P2 120.35(12) . . ?
C18 C13 P2 120.48(12) . . ?
C15 C14 C13 120.36(17) . . ?
C16 C15 C14 120.03(17) . . ?
C15 C16 C17 120.19(17) . . ?
C16 C17 C18 120.36(18) . . ?
C24 C19 C20 118.81(13) . . ?
C24 C19 P2 120.98(11) . . ?
C20 C19 P2 119.91(11) . . ?
C17 C18 C13 120.01(17) . . ?
C21 C20 C19 121.05(15) . . ?
C22 C21 C20 119.56(16) . . ?
C21 C22 C23 120.28(15) . . ?
C22 C23 C24 120.24(16) . . ?
C19 C24 C23 120.04(16) . . ?
N2 C25 C26 123.90(13) . . ?
C25 C26 C27 119.76(13) . . ?
C26 C27 C28 116.58(12) . . ?
C26 C27 C30 122.95(13) . . ?
C28 C27 C30 120.47(13) . . ?
C29 C28 C27 120.10(13) . . ?
N2 C29 C28 123.22(13) . . ?
C31 C30 C27 124.65(14) . . ?
C30 C31 C32 126.08(14) . . ?
C36 C32 C33 116.97(13) . . ?
C36 C32 C31 119.38(13) . . ?
C33 C32 C31 123.64(13) . . ?
C34 C33 C32 119.25(14) . . ?
N3 C34 C33 123.75(15) . . ?
N3 C35 C36 123.68(14) . . ?
C35 C36 C32 119.51(15) . . ?
C40 C37 C39 117.30(13) . . ?
C40 C37 C42 119.52(12) . . ?
C39 C37 C42 123.18(13) . . ?
N1 C38 C39 123.34(13) . . ?
C38 C39 C37 119.19(13) . . ?
C37 C40 C41 120.01(12) . . ?
N1 C41 C40 122.30(13) . . ?
C42 C42 C37 125.14(16) 2_766 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 O1 2.1032(10) 2_556 ?
Co1 O1 2.1033(10) . ?
Co1 O2 2.1175(11) 2_556 ?
Co1 O2 2.1175(11) . ?
Co1 N2 2.1646(11) 2_556 ?
Co1 N2 2.1646(11) . ?
N1 C41 1.3367(16) . ?
N1 C38 1.3370(18) . ?
N1 Co2 2.1067(11) . ?
P1 O7 1.5036(11) . ?
P1 O8 1.5145(11) . ?
P1 C1 1.8013(14) . ?
P1 C7 1.8028(16) . ?
C1 C2 1.391(2) . ?
C1 C6 1.3943(19) . ?
Co2 O3 2.0921(10) . ?
Co2 O3 2.0921(10) 2_666 ?
Co2 O4 2.1265(10) . ?
Co2 O4 2.1265(10) 2_666 ?
N2 C29 1.3404(18) . ?
N2 C25 1.3465(18) . ?
P2 O6 1.5062(11) . ?
P2 O5 1.5068(10) . ?
P2 C13 1.7999(16) . ?
P2 C19 1.8102(14) . ?
C2 C3 1.394(2) . ?
C3 C4 1.385(2) . ?
N3 C35 1.330(2) . ?
N3 C34 1.336(2) . ?
C4 C5 1.386(2) . ?
C5 C6 1.386(2) . ?
C7 C8 1.389(2) . ?
C7 C12 1.395(2) . ?
C8 C9 1.385(2) . ?
C9 C10 1.382(2) . ?
C10 C11 1.388(3) . ?
C11 C12 1.377(3) . ?
C13 C14 1.393(2) . ?
C13 C18 1.396(2) . ?
C14 C15 1.385(3) . ?
C15 C16 1.376(3) . ?
C16 C17 1.381(3) . ?
C17 C18 1.382(2) . ?
C19 C24 1.392(2) . ?
C19 C20 1.398(2) . ?
C20 C21 1.388(2) . ?
C21 C22 1.378(3) . ?
C22 C23 1.388(3) . ?
C23 C24 1.393(2) . ?
C25 C26 1.3776(19) . ?
C26 C27 1.390(2) . ?
C27 C28 1.3936(19) . ?
C27 C30 1.4691(18) . ?
C28 C29 1.3857(19) . ?
C30 C31 1.332(2) . ?
C31 C32 1.4668(18) . ?
C32 C36 1.391(2) . ?
C32 C33 1.394(2) . ?
C33 C34 1.387(2) . ?
C35 C36 1.388(2) . ?
C37 C40 1.382(2) . ?
C37 C39 1.3957(19) . ?
C37 C42 1.4606(18) . ?
C38 C39 1.372(2) . ?
C40 C41 1.3831(19) . ?
C42 C42 1.324(3) 2_766 ?
