#------------------------------------------------------------------------------
#$Date: 2023-08-09 01:58:26 +0300 (Wed, 09 Aug 2023) $
#$Revision: 285593 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/36/7713691.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_7713691
loop_
_publ_author_name
'Konopkina, Ekaterina'
'Pozdeev, Anton'
'Kalle, Paulina'
'Kirsanov, Dmitry'
'Smol'yanov, Nikolai'
'Kirsanova, Anna A.'
'Kalmykov, Stepan'
'Petrov, Vladimir G.'
'Borisova, Nataliya E.'
'Matveev, Petr I.'
_publ_section_title
;
 Sensing and extraction of hazardous metals by di-phosphonates of
 heterocycles: a combined experimental and theoretical study
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT01534C
_journal_year                    2023
_chemical_formula_moiety         'C17 H31 Cd N3 O12 P2'
_chemical_formula_sum            'C17 H31 Cd N3 O12 P2'
_chemical_formula_weight         643.79
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-06-22
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_audit_update_record
;
2023-07-04 deposited with the CCDC.	2023-08-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.491(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   22.4562(14)
_cell_length_b                   13.6538(9)
_cell_length_c                   18.4024(11)
_cell_measurement_reflns_used    9002
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      26.336
_cell_measurement_theta_min      2.334
_cell_volume                     5351.1(6)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'APEX3 v.2017.3_0 (Bruker AXS, 2017)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.00
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0626
_diffrn_reflns_av_unetI/netI     0.0504
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            61083
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.437
_diffrn_reflns_theta_min         1.772
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_target            Mo
_diffrn_source_type              'fine-focus sealed X-ray tube'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.996
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6290
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1101 before and 0.0606 after correction.
The Ratio of minimum to maximum transmission is 0.8438.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.598
_exptl_crystal_description       plate
_exptl_crystal_F_000             2624
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.188
_refine_diff_density_min         -1.124
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     647
_refine_ls_number_reflns         10953
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0814
_refine_ls_R_factor_gt           0.0449
_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)+(0.0238P)²+13.8785P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0830
_refine_ls_wR_factor_ref         0.0955
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7684
_reflns_number_total             10953
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt01534c2.cif
_cod_data_source_block           cdrik10_1c
_cod_database_code               7713691
_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.
;
_shelx_estimated_absorpt_t_max   0.990
_shelx_estimated_absorpt_t_min   0.849
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C6(H6), C9(H9), C12(H12), C15(H15), C23(H23), C26(H26), C29(H29), C32(H32)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C19(H19), C20(H20), C21(H21)
2.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C),
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C16(H16A,H16B,H16C), C17(H17A,H17B,
 H17C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C28(H28A,
 H28B,H28C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C33(H33A,H33B,H33C),
 C34(H34A,H34B,H34C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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 0.36168(2) 0.30342(2) 0.39682(2) 0.01907(8) Uani 1 1 d . . . . .
P1 P 0.23100(5) 0.20376(8) 0.40074(6) 0.0184(2) Uani 1 1 d . . . . .
P2 P 0.44904(5) 0.32583(8) 0.57718(7) 0.0189(2) Uani 1 1 d . . . . .
O1 O 0.26567(13) 0.2291(2) 0.34671(16) 0.0223(7) Uani 1 1 d . . . . .
O2 O 0.44908(12) 0.3409(2) 0.49780(16) 0.0214(7) Uani 1 1 d . . . . .
O3 O 0.19712(12) 0.1024(2) 0.38394(16) 0.0199(6) Uani 1 1 d . . . . .
O4 O 0.17880(13) 0.2759(2) 0.40482(17) 0.0220(7) Uani 1 1 d . . . . .
O5 O 0.44089(13) 0.4179(2) 0.62221(16) 0.0210(7) Uani 1 1 d . . . . .
O6 O 0.50935(13) 0.2742(2) 0.62952(16) 0.0225(7) Uani 1 1 d . . . . .
O7 O 0.40221(15) 0.1314(2) 0.39556(18) 0.0318(8) Uani 1 1 d . . . . .
O8 O 0.41813(15) 0.2470(2) 0.32315(18) 0.0292(8) Uani 1 1 d . . . . .
O9 O 0.45796(16) 0.1034(3) 0.3198(2) 0.0416(9) Uani 1 1 d . . . . .
O10 O 0.35451(15) 0.4437(2) 0.32570(19) 0.0339(8) Uani 1 1 d . . . . .
O11 O 0.30573(14) 0.4533(2) 0.40978(17) 0.0275(7) Uani 1 1 d . . . . .
O12 O 0.30613(18) 0.5786(3) 0.3371(2) 0.0468(10) Uani 1 1 d . . . . .
N1 N 0.33829(15) 0.2480(2) 0.5067(2) 0.0180(8) Uani 1 1 d . . . . .
N2 N 0.42697(17) 0.1585(3) 0.3464(2) 0.0274(9) Uani 1 1 d . . . . .
N3 N 0.32128(18) 0.4939(3) 0.3572(2) 0.0293(9) Uani 1 1 d . . . . .
C1 C 0.28344(18) 0.2012(3) 0.4985(2) 0.0185(9) Uani 1 1 d . . . . .
C2 C 0.2706(2) 0.1575(3) 0.5604(2) 0.0212(10) Uani 1 1 d . . . . .
H2 H 0.232200 0.123735 0.553432 0.025 Uiso 1 1 calc R U . . .
C3 C 0.3153(2) 0.1644(3) 0.6324(3) 0.0225(10) Uani 1 1 d . . . . .
H3 H 0.307665 0.135238 0.675477 0.027 Uiso 1 1 calc R U . . .
C4 C 0.3709(2) 0.2138(3) 0.6411(2) 0.0228(10) Uani 1 1 d . . . . .
H4 H 0.401796 0.219700 0.690032 0.027 Uiso 1 1 calc R U . . .
C5 C 0.38049(18) 0.2546(3) 0.5768(2) 0.0185(9) Uani 1 1 d . . . . .
C6 C 0.1434(2) 0.3357(4) 0.3368(3) 0.0312(11) Uani 1 1 d . . . . .
H6 H 0.169849 0.345986 0.302798 0.037 Uiso 1 1 calc R U . . .
C7 C 0.1305(3) 0.4315(4) 0.3674(3) 0.0535(17) Uani 1 1 d . . . . .
H7A H 0.109337 0.475014 0.324638 0.080 Uiso 1 1 calc R U . . .
H7B H 0.170201 0.461281 0.398168 0.080 Uiso 1 1 calc R U . . .
H7C H 0.103541 0.421264 0.399383 0.080 Uiso 1 1 calc R U . . .
C8 C 0.0852(3) 0.2803(4) 0.2944(4) 0.069(2) Uani 1 1 d . . . . .
H8A H 0.058172 0.273970 0.326766 0.103 Uiso 1 1 calc R U . . .
H8B H 0.096690 0.214976 0.281178 0.103 Uiso 1 1 calc R U . . .
H8C H 0.062596 0.315660 0.247363 0.103 Uiso 1 1 calc R U . . .
C9 C 0.2280(2) 0.0153(3) 0.3644(3) 0.0243(10) Uani 1 1 d . . . . .
H9 H 0.266153 0.036214 0.351505 0.029 Uiso 1 1 calc R U . . .
C10 C 0.1821(2) -0.0308(4) 0.2955(3) 0.0359(12) Uani 1 1 d . . . . .
H10A H 0.201309 -0.088345 0.280183 0.054 Uiso 1 1 calc R U . . .
H10B H 0.170377 0.016572 0.253328 0.054 Uiso 1 1 calc R U . . .
H10C H 0.144527 -0.050800 0.307891 0.054 Uiso 1 1 calc R U . . .
C11 C 0.2474(2) -0.0505(4) 0.4338(3) 0.0380(13) Uani 1 1 d . . . . .
H11A H 0.210405 -0.067598 0.448492 0.057 Uiso 1 1 calc R U . . .
H11B H 0.277980 -0.016381 0.476287 0.057 Uiso 1 1 calc R U . . .
H11C H 0.266395 -0.110384 0.421620 0.057 Uiso 1 1 calc R U . . .
C12 C 0.4749(2) 0.5111(3) 0.6207(3) 0.0242(10) Uani 1 1 d . . . . .
H12 H 0.517155 0.496845 0.615746 0.029 Uiso 1 1 calc R U . . .
C13 C 0.4364(2) 0.5695(3) 0.5529(3) 0.0283(11) Uani 1 1 d . . . . .
H13A H 0.394391 0.580426 0.556845 0.042 Uiso 1 1 calc R U . . .
H13B H 0.432859 0.533495 0.505641 0.042 Uiso 1 1 calc R U . . .
H13C H 0.456756 0.632779 0.551920 0.042 Uiso 1 1 calc R U . . .
C14 C 0.4823(2) 0.5605(3) 0.6966(3) 0.0302(11) Uani 1 1 d . . . . .
H14A H 0.506323 0.621237 0.700001 0.045 Uiso 1 1 calc R U . . .
H14B H 0.504568 0.516632 0.738498 0.045 Uiso 1 1 calc R U . . .
H14C H 0.440737 0.575781 0.700388 0.045 Uiso 1 1 calc R U . . .
C15 C 0.5440(2) 0.2012(3) 0.5978(3) 0.0262(10) Uani 1 1 d . . . . .
H15 H 0.548842 0.227098 0.549170 0.031 Uiso 1 1 calc R U . . .
C16 C 0.5077(2) 0.1066(4) 0.5815(3) 0.0380(13) Uani 1 1 d . . . . .
H16A H 0.500992 0.082812 0.628614 0.057 Uiso 1 1 calc R U . . .
H16B H 0.531437 0.057663 0.563111 0.057 Uiso 1 1 calc R U . . .
H16C H 0.466978 0.117642 0.542338 0.057 Uiso 1 1 calc R U . . .
C17 C 0.6081(2) 0.1916(4) 0.6576(3) 0.0368(12) Uani 1 1 d . . . . .
H17A H 0.629755 0.254917 0.664111 0.055 Uiso 1 1 calc R U . . .
H17B H 0.632805 0.142476 0.640996 0.055 Uiso 1 1 calc R U . . .
H17C H 0.603168 0.171396 0.706506 0.055 Uiso 1 1 calc R U . . .
Cd2 Cd 0.15561(2) 0.80104(2) 0.63068(2) 0.01988(9) Uani 1 1 d . . . . .
P3 P 0.28220(5) 0.68685(8) 0.62098(6) 0.0188(2) Uani 1 1 d . . . . .
P4 P 0.06392(5) 0.82986(9) 0.45213(7) 0.0213(3) Uani 1 1 d . . . . .
O13 O 0.25032(13) 0.7221(2) 0.67531(16) 0.0232(7) Uani 1 1 d . . . . .
O14 O 0.06778(13) 0.8501(2) 0.53237(16) 0.0227(7) Uani 1 1 d . . . . .
O15 O 0.30518(12) 0.5787(2) 0.63080(16) 0.0202(6) Uani 1 1 d . . . . .
O16 O 0.34523(13) 0.7369(2) 0.62473(17) 0.0221(7) Uani 1 1 d . . . . .
O17 O 0.00377(13) 0.7722(2) 0.40554(18) 0.0290(8) Uani 1 1 d . . . . .
O18 O 0.06533(13) 0.9194(2) 0.40097(17) 0.0261(7) Uani 1 1 d . . . . .
O19 O 0.20622(14) 0.9560(2) 0.61831(17) 0.0290(8) Uani 1 1 d . . . . .
O20 O 0.16249(15) 0.9363(2) 0.70675(19) 0.0338(8) Uani 1 1 d . . . . .
O21 O 0.20391(18) 1.0767(3) 0.6945(2) 0.0504(11) Uani 1 1 d . . . . .
O22 O 0.09655(15) 0.7395(2) 0.69999(18) 0.0297(8) Uani 1 1 d . . . . .
O23 O 0.10246(15) 0.6355(2) 0.61322(19) 0.0344(8) Uani 1 1 d . . . . .
O24 O 0.04264(16) 0.6044(3) 0.6829(2) 0.0466(10) Uani 1 1 d . . . . .
N4 N 0.17539(15) 0.7493(3) 0.5187(2) 0.0179(8) Uani 1 1 d . . . . .
N5 N 0.19141(18) 0.9921(3) 0.6736(2) 0.0319(10) Uani 1 1 d . . . . .
N6 N 0.07937(17) 0.6573(3) 0.6652(2) 0.0293(9) Uani 1 1 d . . . . .
C18 C 0.22916(18) 0.7004(3) 0.5239(2) 0.0192(9) Uani 1 1 d . . . . .
C19 C 0.2406(2) 0.6644(3) 0.4591(2) 0.0219(10) Uani 1 1 d . . . . .
H19 H 0.278768 0.631141 0.463822 0.026 Uiso 1 1 calc R U . . .
C20 C 0.1965(2) 0.6768(3) 0.3877(3) 0.0231(10) Uani 1 1 d . . . . .
H20 H 0.203876 0.651913 0.343132 0.028 Uiso 1 1 calc R U . . .
C21 C 0.1409(2) 0.7267(3) 0.3822(3) 0.0220(10) Uani 1 1 d . . . . .
H21 H 0.109576 0.736516 0.334084 0.026 Uiso 1 1 calc R U . . .
C22 C 0.13280(19) 0.7615(3) 0.4496(2) 0.0205(10) Uani 1 1 d . . . . .
C23 C 0.3498(2) 0.8442(3) 0.6148(3) 0.0228(10) Uani 1 1 d . . . . .
H23 H 0.307157 0.871622 0.588329 0.027 Uiso 1 1 calc R U . . .
C24 C 0.3907(2) 0.8565(4) 0.5645(3) 0.0364(12) Uani 1 1 d . . . . .
H24A H 0.431927 0.827317 0.589635 0.055 Uiso 1 1 calc R U . . .
H24B H 0.395651 0.926423 0.555768 0.055 Uiso 1 1 calc R U . . .
H24C H 0.370958 0.823880 0.515269 0.055 Uiso 1 1 calc R U . . .
C25 C 0.3763(2) 0.8903(4) 0.6923(3) 0.0367(12) Uani 1 1 d . . . . .
H25A H 0.347408 0.879793 0.721832 0.055 Uiso 1 1 calc R U . . .
H25B H 0.381847 0.960741 0.686509 0.055 Uiso 1 1 calc R U . . .
H25C H 0.417035 0.860479 0.719375 0.055 Uiso 1 1 calc R U . . .
C26 C 0.2670(2) 0.4970(3) 0.6458(3) 0.0243(10) Uani 1 1 d . . . . .
H26 H 0.229973 0.523488 0.658476 0.029 Uiso 1 1 calc R U . . .
C27 C 0.2454(2) 0.4368(4) 0.5738(3) 0.0381(13) Uani 1 1 d . . . . .
H27A H 0.281632 0.419797 0.557432 0.057 Uiso 1 1 calc R U . . .
H27B H 0.215196 0.474520 0.533360 0.057 Uiso 1 1 calc R U . . .
H27C H 0.225417 0.376664 0.583696 0.057 Uiso 1 1 calc R U . . .
C28 C 0.3092(2) 0.4426(4) 0.7129(3) 0.0362(12) Uani 1 1 d . . . . .
H28A H 0.286302 0.387457 0.725361 0.054 Uiso 1 1 calc R U . . .
H28B H 0.323359 0.486712 0.757027 0.054 Uiso 1 1 calc R U . . .
H28C H 0.345712 0.417976 0.700161 0.054 Uiso 1 1 calc R U . . .
C29 C 0.0272(2) 1.0088(3) 0.3999(3) 0.0269(11) Uani 1 1 d . . . . .
H29 H -0.008795 0.992274 0.418672 0.032 Uiso 1 1 calc R U . . .
C30 C 0.0695(2) 1.0821(4) 0.4534(3) 0.0319(11) Uani 1 1 d . . . . .
H30A H 0.105888 1.095595 0.436509 0.048 Uiso 1 1 calc R U . . .
H30B H 0.083769 1.055275 0.505488 0.048 Uiso 1 1 calc R U . . .
H30C H 0.046249 1.142967 0.452969 0.048 Uiso 1 1 calc R U . . .
C31 C 0.0028(2) 1.0417(4) 0.3185(3) 0.0392(13) Uani 1 1 d . . . . .
H31A H -0.022584 1.100948 0.315169 0.059 Uiso 1 1 calc R U . . .
H31B H -0.023237 0.989825 0.287271 0.059 Uiso 1 1 calc R U . . .
H31C H 0.038078 1.055857 0.299726 0.059 Uiso 1 1 calc R U . . .
C32 C -0.0206(2) 0.6880(4) 0.4387(3) 0.0416(13) Uani 1 1 d . . . . .
H32 H -0.006938 0.694432 0.495749 0.050 Uiso 1 1 calc R U . . .
C33 C 0.0062(3) 0.5966(4) 0.4175(4) 0.067(2) Uani 1 1 d . . . . .
H33A H -0.003885 0.593441 0.361691 0.100 Uiso 1 1 calc R U . . .
H33B H -0.011908 0.539665 0.435296 0.100 Uiso 1 1 calc R U . . .
H33C H 0.051841 0.596538 0.441552 0.100 Uiso 1 1 calc R U . . .
C34 C -0.0916(3) 0.6950(6) 0.4069(4) 0.079(2) Uani 1 1 d . . . . .
H34A H -0.105140 0.759396 0.419098 0.119 Uiso 1 1 calc R U . . .
H34B H -0.110391 0.643751 0.429851 0.119 Uiso 1 1 calc R U . . .
H34C H -0.104992 0.686326 0.351159 0.119 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
O1 Cd1 O7 83.13(11) . . ?
O1 Cd1 O10 104.62(11) . . ?
O1 Cd1 O11 87.88(10) . . ?
O1 Cd1 N1 76.55(11) . . ?
O2 Cd1 O1 151.42(10) . . ?
O2 Cd1 O7 89.82(10) . . ?
O2 Cd1 O10 99.39(12) . . ?
O2 Cd1 O11 93.91(10) . . ?
O2 Cd1 N1 75.16(11) . . ?
O8 Cd1 O1 104.00(11) . . ?
O8 Cd1 O2 93.64(11) . . ?
O8 Cd1 O7 53.52(11) . . ?
O8 Cd1 O10 83.91(11) . . ?
O8 Cd1 O11 138.03(11) . . ?
O8 Cd1 N1 136.07(11) . . ?
O10 Cd1 O7 137.04(10) . . ?
O10 Cd1 O11 54.12(10) . . ?
O10 Cd1 N1 139.33(11) . . ?
O11 Cd1 O7 167.35(10) . . ?
N1 Cd1 O7 83.62(11) . . ?
N1 Cd1 O11 85.66(11) . . ?
O1 P1 O3 113.57(17) . . ?
O1 P1 O4 116.69(17) . . ?
O1 P1 C1 110.85(17) . . ?
O3 P1 C1 107.56(18) . . ?
O4 P1 O3 104.13(16) . . ?
O4 P1 C1 103.14(17) . . ?
O2 P2 O5 117.01(17) . . ?
O2 P2 O6 113.67(16) . . ?
O2 P2 C5 109.67(18) . . ?
O5 P2 O6 105.27(16) . . ?
O5 P2 C5 101.14(17) . . ?
O6 P2 C5 109.19(18) . . ?
P1 O1 Cd1 117.34(16) . . ?
P2 O2 Cd1 120.15(16) . . ?
C9 O3 P1 121.6(2) . . ?
C6 O4 P1 121.0(3) . . ?
C12 O5 P2 122.4(2) . . ?
C15 O6 P2 121.2(3) . . ?
N2 O7 Cd1 88.6(2) . . ?
N2 O8 Cd1 100.3(2) . . ?
N3 O10 Cd1 97.7(2) . . ?
N3 O11 Cd1 91.0(2) . . ?
C1 N1 Cd1 119.8(3) . . ?
C5 N1 Cd1 121.3(3) . . ?
C5 N1 C1 118.7(3) . . ?
O7 N2 O8 117.6(4) . . ?
O9 N2 O7 122.8(4) . . ?
O9 N2 O8 119.6(4) . . ?
O11 N3 O10 117.2(4) . . ?
O12 N3 O10 121.0(4) . . ?
O12 N3 O11 121.8(4) . . ?
N1 C1 P1 112.5(3) . . ?
N1 C1 C2 121.9(4) . . ?
C2 C1 P1 125.6(3) . . ?
C1 C2 H2 120.8 . . ?
C3 C2 C1 118.4(4) . . ?
C3 C2 H2 120.8 . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.7(4) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 120.8 . . ?
C3 C4 C5 118.4(4) . . ?
C5 C4 H4 120.8 . . ?
N1 C5 P2 112.3(3) . . ?
N1 C5 C4 122.8(4) . . ?
C4 C5 P2 124.9(3) . . ?
O4 C6 H6 109.7 . . ?
O4 C6 C8 107.8(4) . . ?
C7 C6 O4 106.2(4) . . ?
C7 C6 H6 109.7 . . ?
C7 C6 C8 113.5(4) . . ?
C8 C6 H6 109.7 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O3 C9 H9 109.4 . . ?
O3 C9 C10 107.1(3) . . ?
O3 C9 C11 107.7(4) . . ?
C10 C9 H9 109.4 . . ?
C10 C9 C11 113.8(4) . . ?
C11 C9 H9 109.4 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O5 C12 H12 110.0 . . ?
O5 C12 C13 107.8(3) . . ?
O5 C12 C14 105.7(3) . . ?
C13 C12 H12 110.0 . . ?
C13 C12 C14 113.3(4) . . ?
C14 C12 H12 110.0 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O6 C15 H15 109.4 . . ?
O6 C15 C16 109.5(4) . . ?
O6 C15 C17 105.4(4) . . ?
C16 C15 H15 109.4 . . ?
C16 C15 C17 113.6(4) . . ?
C17 C15 H15 109.4 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O13 Cd2 O14 151.76(10) . . ?
O13 Cd2 O19 91.97(11) . . ?
O13 Cd2 O20 106.55(11) . . ?
O13 Cd2 O23 88.41(11) . . ?
O13 Cd2 N4 76.17(11) . . ?
O14 Cd2 O19 89.01(11) . . ?
O14 Cd2 O23 84.75(11) . . ?
O14 Cd2 N4 75.68(11) . . ?
O19 Cd2 O23 167.38(10) . . ?
O20 Cd2 O14 96.88(11) . . ?
O20 Cd2 O19 54.32(10) . . ?
O20 Cd2 O23 137.33(10) . . ?
O20 Cd2 N4 141.49(11) . . ?
O22 Cd2 O13 105.39(11) . . ?
O22 Cd2 O14 92.38(11) . . ?
O22 Cd2 O19 138.00(11) . . ?
O22 Cd2 O20 83.89(11) . . ?
O22 Cd2 O23 53.47(11) . . ?
O22 Cd2 N4 133.40(12) . . ?
N4 Cd2 O19 87.47(11) . . ?
N4 Cd2 O23 80.37(11) . . ?
O13 P3 O15 116.31(17) . . ?
O13 P3 O16 117.08(17) . . ?
O13 P3 C18 108.92(18) . . ?
O15 P3 C18 107.53(18) . . ?
O16 P3 O15 98.52(15) . . ?
O16 P3 C18 107.64(18) . . ?
O14 P4 O17 114.14(17) . . ?
O14 P4 O18 116.96(18) . . ?
O14 P4 C22 109.91(19) . . ?
O17 P4 C22 108.74(19) . . ?
O18 P4 O17 104.17(18) . . ?
O18 P4 C22 101.99(18) . . ?
P3 O13 Cd2 120.18(17) . . ?
P4 O14 Cd2 119.52(16) . . ?
C26 O15 P3 123.0(2) . . ?
C23 O16 P3 121.8(3) . . ?
C32 O17 P4 122.1(3) . . ?
C29 O18 P4 122.2(3) . . ?
N5 O19 Cd2 90.8(2) . . ?
N5 O20 Cd2 97.7(2) . . ?
N6 O22 Cd2 100.3(2) . . ?
N6 O23 Cd2 89.1(3) . . ?
C18 N4 Cd2 119.8(3) . . ?
C22 N4 Cd2 121.3(3) . . ?
C22 N4 C18 118.8(3) . . ?
O19 N5 O20 117.1(4) . . ?
O21 N5 O19 121.9(4) . . ?
O21 N5 O20 121.0(4) . . ?
O23 N6 O22 116.9(4) . . ?
O24 N6 O22 120.4(4) . . ?
O24 N6 O23 122.7(4) . . ?
N4 C18 P3 114.3(3) . . ?
N4 C18 C19 121.1(4) . . ?
C19 C18 P3 124.6(3) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 C18 120.1(4) . . ?
C20 C19 H19 119.9 . . ?
C19 C20 H20 120.6 . . ?
C19 C20 C21 118.8(4) . . ?
C21 C20 H20 120.6 . . ?
C20 C21 H21 121.0 . . ?
C22 C21 C20 117.9(4) . . ?
C22 C21 H21 121.0 . . ?
N4 C22 P4 113.4(3) . . ?
N4 C22 C21 123.2(4) . . ?
C21 C22 P4 123.3(3) . . ?
O16 C23 H23 109.6 . . ?
O16 C23 C24 105.4(4) . . ?
O16 C23 C25 108.6(4) . . ?
C24 C23 H23 109.6 . . ?
C25 C23 H23 109.6 . . ?
C25 C23 C24 113.8(4) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O15 C26 H26 110.1 . . ?
O15 C26 C27 106.9(4) . . ?
O15 C26 C28 106.0(3) . . ?
C27 C26 H26 110.1 . . ?
C28 C26 H26 110.1 . . ?
C28 C26 C27 113.5(4) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O18 C29 H29 109.6 . . ?
O18 C29 C30 107.1(3) . . ?
O18 C29 C31 106.7(4) . . ?
C30 C29 H29 109.6 . . ?
C31 C29 H29 109.6 . . ?
C31 C29 C30 114.2(4) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O17 C32 H32 109.5 . . ?
O17 C32 C33 108.0(4) . . ?
O17 C32 C34 105.8(5) . . ?
C33 C32 H32 109.5 . . ?
C33 C32 C34 114.4(5) . . ?
C34 C32 H32 109.5 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
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 O1 2.295(3) . ?
Cd1 O2 2.292(3) . ?
Cd1 O7 2.522(3) . ?
Cd1 O8 2.264(3) . ?
Cd1 O10 2.296(3) . ?
Cd1 O11 2.452(3) . ?
Cd1 N1 2.369(3) . ?
P1 O1 1.485(3) . ?
P1 O3 1.562(3) . ?
P1 O4 1.551(3) . ?
P1 C1 1.812(4) . ?
P2 O2 1.475(3) . ?
P2 O5 1.548(3) . ?
P2 O6 1.559(3) . ?
P2 C5 1.819(4) . ?
O3 C9 1.477(5) . ?
O4 C6 1.494(5) . ?
O5 C12 1.490(5) . ?
O6 C15 1.492(5) . ?
O7 N2 1.258(5) . ?
O8 N2 1.276(5) . ?
O9 N2 1.227(5) . ?
O10 N3 1.279(5) . ?
O11 N3 1.257(5) . ?
O12 N3 1.229(5) . ?
N1 C1 1.353(5) . ?
N1 C5 1.339(5) . ?
C1 C2 1.394(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.388(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.384(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.385(6) . ?
C6 H6 1.0000 . ?
C6 C7 1.488(7) . ?
C6 C8 1.498(7) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9 1.0000 . ?
C9 C10 1.495(6) . ?
C9 C11 1.509(6) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12 1.0000 . ?
C12 C13 1.502(6) . ?
C12 C14 1.512(6) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15 1.0000 . ?
C15 C16 1.506(7) . ?
C15 C17 1.516(6) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
Cd2 O13 2.292(3) . ?
Cd2 O14 2.313(3) . ?
Cd2 O19 2.446(3) . ?
Cd2 O20 2.293(3) . ?
Cd2 O22 2.273(3) . ?
Cd2 O23 2.528(3) . ?
Cd2 N4 2.351(3) . ?
P3 O13 1.483(3) . ?
P3 O15 1.555(3) . ?
P3 O16 1.553(3) . ?
P3 C18 1.815(4) . ?
P4 O14 1.478(3) . ?
P4 O17 1.564(3) . ?
P4 O18 1.550(3) . ?
P4 C22 1.820(4) . ?
O15 C26 1.485(5) . ?
O16 C23 1.485(5) . ?
O17 C32 1.484(6) . ?
O18 C29 1.488(5) . ?
O19 N5 1.266(5) . ?
O20 N5 1.275(5) . ?
O21 N5 1.222(5) . ?
O22 N6 1.288(5) . ?
O23 N6 1.260(5) . ?
O24 N6 1.217(5) . ?
N4 C18 1.356(5) . ?
N4 C22 1.337(5) . ?
C18 C19 1.386(6) . ?
C19 H19 0.9500 . ?
C19 C20 1.382(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.398(6) . ?
C21 H21 0.9500 . ?
C21 C22 1.392(6) . ?
C23 H23 1.0000 . ?
C23 C24 1.504(6) . ?
C23 C25 1.500(6) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26 1.0000 . ?
C26 C27 1.503(6) . ?
C26 C28 1.494(6) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29 1.0000 . ?
C29 C30 1.510(6) . ?
C29 C31 1.491(7) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32 1.0000 . ?
C32 C33 1.490(8) . ?
C32 C34 1.517(8) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
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
_geom_torsion_publ_flag
Cd1 O7 N2 O8 -2.3(4) . . . . ?
Cd1 O7 N2 O9 178.8(4) . . . . ?
Cd1 O8 N2 O7 2.6(4) . . . . ?
Cd1 O8 N2 O9 -178.5(3) . . . . ?
Cd1 O10 N3 O11 -0.3(4) . . . . ?
Cd1 O10 N3 O12 178.8(4) . . . . ?
Cd1 O11 N3 O10 0.2(4) . . . . ?
Cd1 O11 N3 O12 -178.8(4) . . . . ?
Cd1 N1 C1 P1 -7.9(4) . . . . ?
Cd1 N1 C1 C2 172.5(3) . . . . ?
Cd1 N1 C5 P2 9.0(4) . . . . ?
Cd1 N1 C5 C4 -173.1(3) . . . . ?
P1 O3 C9 C10 -132.3(3) . . . . ?
P1 O3 C9 C11 104.9(4) . . . . ?
P1 O4 C6 C7 -144.9(4) . . . . ?
P1 O4 C6 C8 93.2(4) . . . . ?
P1 C1 C2 C3 -178.2(3) . . . . ?
P2 O5 C12 C13 87.0(4) . . . . ?
P2 O5 C12 C14 -151.6(3) . . . . ?
P2 O6 C15 C16 -74.3(4) . . . . ?
P2 O6 C15 C17 163.1(3) . . . . ?
O1 P1 O3 C9 42.9(3) . . . . ?
O1 P1 O4 C6 29.4(4) . . . . ?
O1 P1 C1 N1 17.3(4) . . . . ?
O1 P1 C1 C2 -163.2(4) . . . . ?
O2 P2 O5 C12 -43.9(4) . . . . ?
O2 P2 O6 C15 -31.7(4) . . . . ?
O2 P2 C5 N1 -13.0(3) . . . . ?
O2 P2 C5 C4 169.1(4) . . . . ?
O3 P1 O1 Cd1 -140.01(16) . . . . ?
O3 P1 O4 C6 -96.6(3) . . . . ?
O3 P1 C1 N1 142.0(3) . . . . ?
O3 P1 C1 C2 -38.4(4) . . . . ?
O4 P1 O1 Cd1 98.8(2) . . . . ?
O4 P1 O3 C9 170.9(3) . . . . ?
O4 P1 C1 N1 -108.3(3) . . . . ?
O4 P1 C1 C2 71.2(4) . . . . ?
O5 P2 O2 Cd1 -102.8(2) . . . . ?
O5 P2 O6 C15 -161.0(3) . . . . ?
O5 P2 C5 N1 111.2(3) . . . . ?
O5 P2 C5 C4 -66.7(4) . . . . ?
O6 P2 O2 Cd1 134.06(17) . . . . ?
O6 P2 O5 C12 83.5(3) . . . . ?
O6 P2 C5 N1 -138.1(3) . . . . ?
O6 P2 C5 C4 44.0(4) . . . . ?
N1 C1 C2 C3 1.3(6) . . . . ?
C1 P1 O1 Cd1 -18.8(2) . . . . ?
C1 P1 O3 C9 -80.1(3) . . . . ?
C1 P1 O4 C6 151.1(3) . . . . ?
C1 N1 C5 P2 -176.7(3) . . . . ?
C1 N1 C5 C4 1.2(6) . . . . ?
C1 C2 C3 C4 -0.1(6) . . . . ?
C2 C3 C4 C5 -0.6(6) . . . . ?
C3 C4 C5 P2 177.6(3) . . . . ?
C3 C4 C5 N1 0.0(6) . . . . ?
C5 P2 O2 Cd1 11.5(2) . . . . ?
C5 P2 O5 C12 -162.9(3) . . . . ?
C5 P2 O6 C15 91.1(3) . . . . ?
C5 N1 C1 P1 177.7(3) . . . . ?
C5 N1 C1 C2 -1.9(6) . . . . ?
Cd2 O19 N5 O20 1.9(4) . . . . ?
Cd2 O19 N5 O21 -177.9(4) . . . . ?
Cd2 O20 N5 O19 -2.1(4) . . . . ?
Cd2 O20 N5 O21 177.7(4) . . . . ?
Cd2 O22 N6 O23 5.2(4) . . . . ?
Cd2 O22 N6 O24 -175.0(4) . . . . ?
Cd2 O23 N6 O22 -4.6(4) . . . . ?
Cd2 O23 N6 O24 175.6(4) . . . . ?
Cd2 N4 C18 P3 -3.0(4) . . . . ?
Cd2 N4 C18 C19 176.5(3) . . . . ?
Cd2 N4 C22 P4 5.0(4) . . . . ?
Cd2 N4 C22 C21 -175.9(3) . . . . ?
P3 O15 C26 C27 108.6(4) . . . . ?
P3 O15 C26 C28 -130.0(3) . . . . ?
P3 O16 C23 C24 -137.7(3) . . . . ?
P3 O16 C23 C25 100.0(4) . . . . ?
P3 C18 C19 C20 178.6(3) . . . . ?
P4 O17 C32 C33 -93.7(5) . . . . ?
P4 O17 C32 C34 143.4(4) . . . . ?
P4 O18 C29 C30 97.1(4) . . . . ?
P4 O18 C29 C31 -140.2(3) . . . . ?
O13 P3 O15 C26 42.6(4) . . . . ?
O13 P3 O16 C23 -57.2(4) . . . . ?
O13 P3 C18 N4 7.4(4) . . . . ?
O13 P3 C18 C19 -172.1(4) . . . . ?
O14 P4 O17 C32 -42.5(4) . . . . ?
O14 P4 O18 C29 -45.3(4) . . . . ?
O14 P4 C22 N4 -4.8(4) . . . . ?
O14 P4 C22 C21 176.1(4) . . . . ?
O15 P3 O13 Cd2 -130.30(17) . . . . ?
O15 P3 O16 C23 177.3(3) . . . . ?
O15 P3 C18 N4 134.3(3) . . . . ?
O15 P3 C18 C19 -45.3(4) . . . . ?
O16 P3 O13 Cd2 113.69(19) . . . . ?
O16 P3 O15 C26 168.6(3) . . . . ?
O16 P3 C18 N4 -120.5(3) . . . . ?
O16 P3 C18 C19 60.0(4) . . . . ?
O17 P4 O14 Cd2 125.01(19) . . . . ?
O17 P4 O18 C29 81.7(3) . . . . ?
O17 P4 C22 N4 -130.5(3) . . . . ?
O17 P4 C22 C21 50.5(4) . . . . ?
O18 P4 O14 Cd2 -113.06(19) . . . . ?
O18 P4 O17 C32 -171.2(3) . . . . ?
O18 P4 C22 N4 119.9(3) . . . . ?
O18 P4 C22 C21 -59.1(4) . . . . ?
N4 C18 C19 C20 -0.9(6) . . . . ?
C18 P3 O13 Cd2 -8.7(2) . . . . ?
C18 P3 O15 C26 -79.8(3) . . . . ?
C18 P3 O16 C23 65.8(3) . . . . ?
C18 N4 C22 P4 -179.2(3) . . . . ?
C18 N4 C22 C21 -0.2(6) . . . . ?
C18 C19 C20 C21 0.5(6) . . . . ?
C19 C20 C21 C22 0.0(6) . . . . ?
C20 C21 C22 P4 178.8(3) . . . . ?
C20 C21 C22 N4 -0.2(6) . . . . ?
C22 P4 O14 Cd2 2.5(3) . . . . ?
C22 P4 O17 C32 80.7(4) . . . . ?
C22 P4 O18 C29 -165.2(3) . . . . ?
C22 N4 C18 P3 -178.8(3) . . . . ?
C22 N4 C18 C19 0.7(6) . . . . ?
