#------------------------------------------------------------------------------
#$Date: 2026-03-04 12:23:17 +0100 (Wed 04 de Mar de 2026) $
#$Revision: 304757 $
#$URL: svn://www.crystallography.net/cod/cif/7/72/04/7720496.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_7720496
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            'C46 H38 Cd N2 O6 P3'
_chemical_formula_weight         920.09
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-09-09 deposited with the CCDC.	2025-12-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.258(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   22.865(2)
_cell_length_b                   11.7446(8)
_cell_length_c                   32.081(2)
_cell_measurement_reflns_used    9998
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.14
_cell_measurement_theta_min      2.43
_cell_volume                     8477.3(11)
_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    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_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  0.0636
_diffrn_reflns_av_unetI/netI     0.0534
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            43929
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.279
_diffrn_reflns_theta_min         2.027
_exptl_absorpt_coefficient_mu    0.679
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_description       block
_exptl_crystal_F_000             3752
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.844
_refine_diff_density_min         -0.928
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         10488
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0428
_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)+(0.0715P)²+16.2938P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1197
_refine_ls_wR_factor_ref         0.1310
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8361
_reflns_number_total             10488
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt01622c2.cif
_cod_data_source_block           2_a_11_
_cod_original_cell_volume        8477.1(11)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7720496
_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_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
Cd1 Cd 0.29298(2) 0.80843(2) 0.42886(2) 0.02211(8) Uani 1 1 d . . . . .
P1 P 0.23969(4) 0.88401(8) 0.31802(3) 0.0346(2) Uani 1 1 d . . . . .
O1 O 0.24595(12) 0.8312(2) 0.36074(8) 0.0416(6) Uani 1 1 d . . . . .
N1 N 0.27491(12) 0.6118(2) 0.41715(9) 0.0295(6) Uani 1 1 d . . . . .
C1 C 0.19383(16) 0.7908(3) 0.28076(12) 0.0404(8) Uani 1 1 d . . . . .
P2 P 0.41984(4) 0.80900(7) 0.37351(3) 0.02921(18) Uani 1 1 d . . . . .
O2 O 0.29691(11) 0.9038(2) 0.30029(9) 0.0489(7) Uani 1 1 d . . . . .
N2 N 0.29933(12) 0.0103(2) 0.42818(9) 0.0316(6) Uani 1 1 d . . . . .
C2 C 0.1881(2) 0.6785(4) 0.29164(15) 0.0552(11) Uani 1 1 d . . . . .
H2 H 0.206476 0.652727 0.318156 0.066 Uiso 1 1 calc R U . . .
O3 O 0.37846(11) 0.7810(2) 0.40324(8) 0.0381(6) Uani 1 1 d . . . . .
P3 P 0.34973(3) 0.70566(6) 0.53095(3) 0.02379(16) Uani 1 1 d . . . . .
C3 C 0.1551(2) 0.6037(4) 0.26337(17) 0.0656(13) Uani 1 1 d . . . . .
H3 H 0.151307 0.527976 0.270954 0.079 Uiso 1 1 calc R U . . .
O4 O 0.39836(11) 0.8968(2) 0.33933(8) 0.0418(6) Uani 1 1 d . . . . .
C4 C 0.1283(2) 0.6412(5) 0.22435(18) 0.0744(16) Uani 1 1 d . . . . .
H4 H 0.106435 0.590842 0.205275 0.089 Uiso 1 1 calc R U . . .
O5 O 0.34548(10) 0.78865(17) 0.49475(7) 0.0312(5) Uani 1 1 d . . . . .
C5 C 0.1333(2) 0.7521(5) 0.21333(16) 0.0758(16) Uani 1 1 d . . . . .
H5 H 0.114968 0.777100 0.186682 0.091 Uiso 1 1 calc R U . . .
O6 O 0.29391(10) 0.67450(18) 0.54638(7) 0.0305(5) Uani 1 1 d . . . . .
C6 C 0.1655(2) 0.8281(4) 0.24139(14) 0.0607(12) Uani 1 1 d . . . . .
H6 H 0.168127 0.904071 0.233819 0.073 Uiso 1 1 calc R U . . .
C7 C 0.20217(16) 1.0190(3) 0.31677(11) 0.0383(8) Uani 1 1 d . . . . .
C8 C 0.2194(2) 1.1122(4) 0.29523(16) 0.0606(12) Uani 1 1 d . . . . .
H8 H 0.250520 1.104686 0.280323 0.073 Uiso 1 1 calc R U . . .
C9 C 0.1910(2) 1.2154(4) 0.29559(19) 0.0744(16) Uani 1 1 d . . . . .
H9 H 0.203384 1.276982 0.281141 0.089 Uiso 1 1 calc R U . . .
C10 C 0.1450(2) 1.2280(4) 0.31701(17) 0.0695(14) Uani 1 1 d . . . . .
H10 H 0.126391 1.298292 0.317673 0.083 Uiso 1 1 calc R U . . .
C13 C 0.48880(14) 0.8594(3) 0.40417(11) 0.0322(7) Uani 1 1 d . . . . .
C12 C 0.1549(2) 1.0323(4) 0.33761(15) 0.0604(12) Uani 1 1 d . . . . .
H12 H 0.142109 0.970778 0.351875 0.072 Uiso 1 1 calc R U . . .
C11 C 0.1262(3) 1.1358(4) 0.33763(18) 0.0750(15) Uani 1 1 d . . . . .
H11 H 0.094092 1.143160 0.351614 0.090 Uiso 1 1 calc R U . . .
C14 C 0.53799(16) 0.8809(3) 0.38540(13) 0.0433(8) Uani 1 1 d . . . . .
H14 H 0.535900 0.868067 0.356558 0.052 Uiso 1 1 calc R U . . .
C15 C 0.59047(18) 0.9215(4) 0.40975(16) 0.0547(11) Uani 1 1 d . . . . .
H15 H 0.623446 0.935125 0.397177 0.066 Uiso 1 1 calc R U . . .
C16 C 0.59352(18) 0.9414(3) 0.45202(16) 0.0548(11) Uani 1 1 d . . . . .
H16 H 0.628370 0.969953 0.468008 0.066 Uiso 1 1 calc R U . . .
C17 C 0.54542(18) 0.9194(3) 0.47113(14) 0.0482(9) Uani 1 1 d . . . . .
H17 H 0.548068 0.932070 0.500021 0.058 Uiso 1 1 calc R U . . .
C19 C 0.43918(15) 0.6801(3) 0.34791(12) 0.0350(7) Uani 1 1 d . . . . .
C18 C 0.49291(16) 0.8784(3) 0.44737(12) 0.0391(8) Uani 1 1 d . . . . .
H18 H 0.460452 0.863674 0.460375 0.047 Uiso 1 1 calc R U . . .
C20 C 0.4248(2) 0.6660(4) 0.30471(14) 0.0589(11) Uani 1 1 d . . . . .
H20 H 0.404388 0.722861 0.287909 0.071 Uiso 1 1 calc R U . . .
C21 C 0.4409(3) 0.5658(5) 0.28624(18) 0.0835(17) Uani 1 1 d . . . . .
H21 H 0.431420 0.556168 0.257040 0.100 Uiso 1 1 calc R U . . .
C22 C 0.4706(2) 0.4820(4) 0.31093(19) 0.0757(16) Uani 1 1 d . . . . .
H22 H 0.481517 0.415751 0.298392 0.091 Uiso 1 1 calc R U . . .
C23 C 0.4843(2) 0.4946(4) 0.35360(17) 0.0648(13) Uani 1 1 d . . . . .
H23 H 0.503913 0.436701 0.370325 0.078 Uiso 1 1 calc R U . . .
C24 C 0.46899(19) 0.5945(3) 0.37211(14) 0.0481(9) Uani 1 1 d . . . . .
H24 H 0.479003 0.603572 0.401307 0.058 Uiso 1 1 calc R U . . .
C25 C 0.38375(13) 0.5746(2) 0.51683(10) 0.0276(6) Uani 1 1 d . . . . .
C26 C 0.40454(15) 0.5635(3) 0.47891(11) 0.0349(7) Uani 1 1 d . . . . .
H26 H 0.403175 0.625214 0.460596 0.042 Uiso 1 1 calc R U . . .
C27 C 0.42736(18) 0.4599(3) 0.46847(13) 0.0473(9) Uani 1 1 d . . . . .
H27 H 0.441175 0.452620 0.443036 0.057 Uiso 1 1 calc R U . . .
C28 C 0.42980(18) 0.3683(3) 0.49519(13) 0.0483(10) Uani 1 1 d . . . . .
H28 H 0.443997 0.298685 0.487408 0.058 Uiso 1 1 calc R U . . .
C29 C 0.41119(19) 0.3792(3) 0.53362(14) 0.0495(10) Uani 1 1 d . . . . .
H29 H 0.414132 0.317946 0.552224 0.059 Uiso 1 1 calc R U . . .
C30 C 0.38814(17) 0.4819(3) 0.54431(12) 0.0404(8) Uani 1 1 d . . . . .
H30 H 0.375431 0.489180 0.570156 0.048 Uiso 1 1 calc R U . . .
C31 C 0.40293(13) 0.7586(3) 0.57511(10) 0.0295(6) Uani 1 1 d . . . . .
C32 C 0.45942(16) 0.7917(3) 0.56901(15) 0.0461(9) Uani 1 1 d . . . . .
H32 H 0.469390 0.788169 0.542175 0.055 Uiso 1 1 calc R U . . .
C33 C 0.50067(18) 0.8300(4) 0.60327(19) 0.0628(14) Uani 1 1 d . . . . .
H33 H 0.538218 0.852787 0.599264 0.075 Uiso 1 1 calc R U . . .
C34 C 0.4864(2) 0.8343(4) 0.64283(18) 0.0694(15) Uani 1 1 d . . . . .
H34 H 0.514420 0.859566 0.665554 0.083 Uiso 1 1 calc R U . . .
C35 C 0.4320(2) 0.8023(4) 0.64933(15) 0.0636(13) Uani 1 1 d . . . . .
H35 H 0.422806 0.805488 0.676415 0.076 Uiso 1 1 calc R U . . .
C36 C 0.38923(17) 0.7642(3) 0.61528(12) 0.0426(8) Uani 1 1 d . . . . .
H36 H 0.351693 0.742692 0.619754 0.051 Uiso 1 1 calc R U . . .
C37 C 0.29757(18) 0.5548(3) 0.38752(12) 0.0404(8) Uani 1 1 d . . . . .
H37 H 0.312252 0.596390 0.366962 0.048 Uiso 1 1 calc R U . . .
C38 C 0.30022(18) 0.4375(3) 0.38601(12) 0.0413(8) Uani 1 1 d . . . . .
H38 H 0.315845 0.401609 0.364598 0.050 Uiso 1 1 calc R U . . .
C39 C 0.27925(14) 0.3731(2) 0.41687(11) 0.0301(7) Uani 1 1 d . . . . .
C40 C 0.25460(15) 0.4326(2) 0.44666(11) 0.0335(7) Uani 1 1 d . . . . .
H40 H 0.239125 0.393492 0.467438 0.040 Uiso 1 1 calc R U . . .
C41 C 0.25292(14) 0.5502(2) 0.44557(11) 0.0316(7) Uani 1 1 d . . . . .
H41 H 0.235566 0.588171 0.465701 0.038 Uiso 1 1 calc R U . . .
C42 C 0.28551(14) 0.2474(2) 0.41957(11) 0.0307(7) Uani 1 1 d . . . . .
C43 C 0.24702(19) 0.1820(3) 0.43844(16) 0.0525(12) Uani 1 1 d . . . . .
H43 H 0.215486 0.216166 0.448410 0.063 Uiso 1 1 calc R U . . .
C44 C 0.25580(19) 0.0657(3) 0.44236(14) 0.0496(10) Uani 1 1 d . . . . .
H44 H 0.229916 0.023706 0.455640 0.060 Uiso 1 1 calc R U . . .
C45 C 0.33504(18) 0.0725(3) 0.40946(15) 0.0525(11) Uani 1 1 d . . . . .
H45 H 0.365336 0.035775 0.398871 0.063 Uiso 1 1 calc R U . . .
C46 C 0.3300(2) 0.1895(3) 0.40468(16) 0.0520(12) Uani 1 1 d . . . . .
H46 H 0.356722 0.229037 0.391370 0.062 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'
Cd Cd -0.8075 1.2024 '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
O5 Cd1 O1 176.02(9) . . ?
O5 Cd1 O3 88.62(9) . . ?
O1 Cd1 O3 87.65(9) . . ?
O5 Cd1 O6 91.96(8) . 7_566 ?
O1 Cd1 O6 91.84(9) . 7_566 ?
O3 Cd1 O6 176.78(8) . 7_566 ?
O5 Cd1 N1 95.59(9) . . ?
O1 Cd1 N1 85.57(9) . . ?
O3 Cd1 N1 86.63(9) . . ?
O6 Cd1 N1 90.16(8) 7_566 . ?
O5 Cd1 N2 95.08(9) . 1_565 ?
O1 Cd1 N2 83.85(9) . 1_565 ?
O3 Cd1 N2 94.61(9) . 1_565 ?
O6 Cd1 N2 88.50(8) 7_566 1_565 ?
N1 Cd1 N2 169.29(9) . 1_565 ?
O1 P1 O2 117.14(15) . . ?
O1 P1 C7 110.80(16) . . ?
O2 P1 C7 107.01(16) . . ?
O1 P1 C1 107.78(17) . . ?
O2 P1 C1 106.18(17) . . ?
C7 P1 C1 107.47(17) . . ?
P1 O1 Cd1 152.38(16) . . ?
C41 N1 C37 117.1(3) . . ?
C41 N1 Cd1 119.9(2) . . ?
C37 N1 Cd1 121.4(2) . . ?
C2 C1 C6 119.0(4) . . ?
C2 C1 P1 118.8(3) . . ?
C6 C1 P1 122.2(3) . . ?
O3 P2 O4 116.70(14) . . ?
O3 P2 C13 108.41(16) . . ?
O4 P2 C13 108.01(15) . . ?
O3 P2 C19 109.77(15) . . ?
O4 P2 C19 108.22(16) . . ?
C13 P2 C19 105.12(15) . . ?
C45 N2 C44 116.5(3) . . ?
C45 N2 Cd1 127.0(2) . 1_545 ?
C44 N2 Cd1 115.6(2) . 1_545 ?
C1 C2 C3 120.5(5) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
P2 O3 Cd1 151.86(15) . . ?
O6 P3 O5 118.18(13) . . ?
O6 P3 C31 108.68(14) . . ?
O5 P3 C31 108.93(14) . . ?
O6 P3 C25 107.69(13) . . ?
O5 P3 C25 109.11(14) . . ?
C31 P3 C25 103.21(14) . . ?
C4 C3 C2 119.9(5) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C5 C4 C3 120.2(5) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
P3 O5 Cd1 137.90(14) . . ?
C4 C5 C6 120.6(5) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
P3 O6 Cd1 160.76(13) . 7_566 ?
C5 C6 C1 119.9(5) . . ?
C5 C6 H6 120.0 . . ?
C1 C6 H6 120.0 . . ?
C12 C7 C8 118.0(4) . . ?
C12 C7 P1 120.1(3) . . ?
C8 C7 P1 122.0(3) . . ?
C9 C8 C7 121.0(4) . . ?
C9 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
C10 C9 C8 120.5(5) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C11 119.4(5) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C14 C13 C18 119.1(3) . . ?
C14 C13 P2 121.3(3) . . ?
C18 C13 P2 119.6(3) . . ?
C7 C12 C11 120.9(4) . . ?
C7 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C10 C11 C12 120.2(5) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C13 C14 C15 120.1(4) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C16 C15 C14 120.1(4) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 120.5(4) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C16 C17 C18 120.2(4) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C24 C19 C20 119.1(4) . . ?
C24 C19 P2 119.4(3) . . ?
C20 C19 P2 121.5(3) . . ?
C17 C18 C13 120.1(4) . . ?
C17 C18 H18 120.0 . . ?
C13 C18 H18 120.0 . . ?
C19 C20 C21 119.7(5) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 H20 120.2 . . ?
C22 C21 C20 120.2(5) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C23 C22 C21 120.5(5) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 119.6(5) . . ?
C22 C23 H23 120.2 . . ?
C24 C23 H23 120.2 . . ?
C19 C24 C23 121.0(4) . . ?
C19 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C26 C25 C30 118.9(3) . . ?
C26 C25 P3 121.8(2) . . ?
C30 C25 P3 119.3(2) . . ?
C27 C26 C25 119.7(3) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C28 C27 C26 120.8(4) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C27 C28 C29 120.0(3) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C28 C29 C30 119.6(3) . . ?
C28 C29 H29 120.2 . . ?
C30 C29 H29 120.2 . . ?
C29 C30 C25 120.8(3) . . ?
C29 C30 H30 119.6 . . ?
C25 C30 H30 119.6 . . ?
C36 C31 C32 119.1(3) . . ?
C36 C31 P3 121.0(3) . . ?
C32 C31 P3 119.8(3) . . ?
C33 C32 C31 119.6(4) . . ?
C33 C32 H32 120.2 . . ?
C31 C32 H32 120.2 . . ?
C34 C33 C32 120.4(4) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C35 C34 C33 120.8(4) . . ?
C35 C34 H34 119.6 . . ?
C33 C34 H34 119.6 . . ?
C34 C35 C36 120.1(5) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C31 C36 C35 120.0(4) . . ?
C31 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
N1 C37 C38 123.2(3) . . ?
N1 C37 H37 118.4 . . ?
C38 C37 H37 118.4 . . ?
C37 C38 C39 119.5(3) . . ?
C37 C38 H38 120.2 . . ?
C39 C38 H38 120.2 . . ?
C40 C39 C38 116.7(3) . . ?
C40 C39 C42 120.6(3) . . ?
C38 C39 C42 122.5(3) . . ?
C41 C40 C39 120.0(3) . . ?
C41 C40 H40 120.0 . . ?
C39 C40 H40 120.0 . . ?
N1 C41 C40 123.3(3) . . ?
N1 C41 H41 118.4 . . ?
C40 C41 H41 118.4 . . ?
C46 C42 C43 116.3(3) . . ?
C46 C42 C39 122.7(3) . . ?
C43 C42 C39 120.9(3) . . ?
C44 C43 C42 119.6(3) . . ?
C44 C43 H43 120.2 . . ?
C42 C43 H43 120.2 . . ?
N2 C44 C43 123.7(3) . . ?
N2 C44 H44 118.1 . . ?
C43 C44 H44 118.1 . . ?
N2 C45 C46 123.6(3) . . ?
N2 C45 H45 118.2 . . ?
C46 C45 H45 118.2 . . ?
C42 C46 C45 120.3(3) . . ?
C42 C46 H46 119.9 . . ?
C45 C46 H46 119.9 . . ?
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
Cd1 O5 2.249(2) . ?
Cd1 O1 2.273(2) . ?
Cd1 O3 2.274(2) . ?
Cd1 O6 2.276(2) 7_566 ?
Cd1 N1 2.365(2) . ?
Cd1 N2 2.376(3) 1_565 ?
P1 O1 1.488(3) . ?
P1 O2 1.535(3) . ?
P1 C7 1.800(4) . ?
P1 C1 1.811(4) . ?
N1 C41 1.330(4) . ?
N1 C37 1.340(4) . ?
C1 C2 1.376(6) . ?
C1 C6 1.384(6) . ?
P2 O3 1.495(2) . ?
P2 O4 1.522(2) . ?
P2 C13 1.803(3) . ?
P2 C19 1.814(3) . ?
N2 C45 1.317(4) . ?
N2 C44 1.335(4) . ?
C2 C3 1.386(6) . ?
C2 H2 0.9300 . ?
P3 O6 1.494(2) . ?
P3 O5 1.506(2) . ?
P3 C31 1.805(3) . ?
P3 C25 1.818(3) . ?
C3 C4 1.366(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.360(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.383(7) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.378(5) . ?
C7 C8 1.387(5) . ?
C8 C9 1.375(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.365(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.377(7) . ?
C10 H10 0.9300 . ?
C13 C14 1.390(5) . ?
C13 C18 1.391(5) . ?
C12 C11 1.380(6) . ?
C12 H12 0.9300 . ?
C11 H11 0.9300 . ?
C14 C15 1.394(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.366(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.375(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.389(5) . ?
C17 H17 0.9300 . ?
C19 C24 1.375(5) . ?
C19 C20 1.376(6) . ?
C18 H18 0.9300 . ?
C20 C21 1.396(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.366(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.357(7) . ?
C22 H22 0.9300 . ?
C23 C24 1.388(5) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.389(4) . ?
C25 C30 1.393(4) . ?
C26 C27 1.388(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.371(5) . ?
C27 H27 0.9300 . ?
C28 C29 1.380(5) . ?
C28 H28 0.9300 . ?
C29 C30 1.384(5) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C36 1.381(5) . ?
C31 C32 1.396(5) . ?
C32 C33 1.389(6) . ?
C32 H32 0.9300 . ?
C33 C34 1.367(7) . ?
C33 H33 0.9300 . ?
C34 C35 1.351(7) . ?
C34 H34 0.9300 . ?
C35 C36 1.403(5) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C38 1.380(4) . ?
C37 H37 0.9300 . ?
C38 C39 1.397(4) . ?
C38 H38 0.9300 . ?
C39 C40 1.382(4) . ?
C39 C42 1.485(4) . ?
C40 C41 1.381(4) . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
C42 C46 1.378(5) . ?
C42 C43 1.386(5) . ?
C43 C44 1.383(5) . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
C45 C46 1.385(4) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
