#------------------------------------------------------------------------------
#$Date: 2019-11-23 14:56:39 +0100 (Sat 23 de Nov de 2019) $
#$Revision: 233910 $
#$URL: svn://www.crystallography.net/cod/cif/7/23/60/7236092.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_7236092
loop_
_publ_author_name
'Seth, Soana'
'Savitha, Govardhan'
'Moorthy, Jarugu Narasimha'
_publ_section_title
;
 Diverse isostructural MOFs by postsynthetic metal node metathesis:
 anionic-to-cationic framework conversion, luminescence and separation of
 dyes
;
_journal_issue                   45
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              22915
_journal_paper_doi               10.1039/C5TA04551G
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety
'C88 H60 Cd3 O24, C12 H28 CD N4 O6, 4(C3 H7 N O)'
_chemical_formula_sum            'C112 H116 Cd4 N8 O34'
_chemical_formula_weight         2567.72
_chemical_name_systematic
3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl
_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   geom
_audit_creation_method           SHELXL-2014/5
_audit_update_record
;
2015-02-06 deposited with the CCDC.
2015-10-01 downloaded from the CCDC.
;
_cell_angle_alpha                108.559(2)
_cell_angle_beta                 103.799(2)
_cell_angle_gamma                108.453(2)
_cell_formula_units_Z            1
_cell_length_a                   15.4562(18)
_cell_length_b                   16.278(2)
_cell_length_c                   18.346(2)
_cell_measurement_reflns_used    16857
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      1.3
_cell_volume                     3844.0(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2014/5 (Sheldrick, 2014)'
_computing_structure_solution    SHELX-97
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.880
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_unetI/netI     0.0877
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.880
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            23842
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.880
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.306
_diffrn_reflns_theta_min         1.264
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.607
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.109
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1308
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.22
_refine_diff_density_max         3.684
_refine_diff_density_min         -3.796
_refine_diff_density_rms         0.212
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     572
_refine_ls_number_reflns         16857
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.134
_refine_ls_R_factor_all          0.1407
_refine_ls_R_factor_gt           0.1026
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2769
_refine_ls_wR_factor_ref         0.3398
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10187
_reflns_number_total             16857
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5ta04551g2.cif
_cod_data_source_block           cdmof8
_cod_database_code               7236092
_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.
;
_shelxl_version_number           2014/5
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 0.5540(6) 0.0245(6) -0.3102(4) 0.0385(6) Uani 1 1 d . . .
C2 C 0.5949(6) 0.1274(6) -0.2552(4) 0.0385(6) Uani 1 1 d . . .
C3 C 0.6437(6) 0.1930(5) -0.2780(4) 0.0385(6) Uani 1 1 d . . .
H3 H 0.6561 0.1735 -0.3264 0.046 Uiso 1 1 calc R U .
C4 C 0.6762(6) 0.2916(6) -0.2284(4) 0.0385(6) Uani 1 1 d . . .
H4 H 0.7093 0.3368 -0.2445 0.046 Uiso 1 1 calc R U .
N4 N 0.7024(13) 0.3744(9) 0.1998(11) 0.152(8) Uani 1 1 d . . .
C5 C 0.6589(6) 0.3212(6) -0.1558(4) 0.0385(6) Uani 1 1 d . . .
C6 C 0.6115(6) 0.2548(6) -0.1322(4) 0.0385(6) Uani 1 1 d . . .
H6 H 0.6004 0.2747 -0.0833 0.046 Uiso 1 1 calc R U .
C7 C 0.5796(6) 0.1581(6) -0.1798(4) 0.0385(6) Uani 1 1 d . . .
H7 H 0.5482 0.1134 -0.1624 0.046 Uiso 1 1 calc R U .
C8 C 0.5622(7) 0.7535(6) -0.3189(5) 0.0437(6) Uani 1 1 d . . .
C9 C 0.5928(7) 0.7073(6) -0.2685(5) 0.0437(6) Uani 1 1 d . . .
C10 C 0.5284(7) 0.6136(6) -0.2837(5) 0.0437(6) Uani 1 1 d . . .
H10 H 0.4664 0.5819 -0.3261 0.052 Uiso 1 1 calc R U .
C11 C 0.5573(7) 0.5702(6) -0.2365(5) 0.0437(6) Uani 1 1 d . . .
H11 H 0.5159 0.5079 -0.2486 0.052 Uiso 1 1 calc R U .
C12 C 0.6489(6) 0.6183(6) -0.1694(5) 0.0437(6) Uani 1 1 d . . .
C13 C 0.7129(7) 0.7096(6) -0.1569(5) 0.0437(6) Uani 1 1 d . . .
H13 H 0.7752 0.7412 -0.1150 0.052 Uiso 1 1 calc R U .
C14 C 0.6846(7) 0.7526(6) -0.2056(5) 0.0437(6) Uani 1 1 d . . .
H14 H 0.7280 0.8130 -0.1960 0.052 Uiso 1 1 calc R U .
C15 C 1.3085(8) 0.8035(9) 0.4763(8) 0.0714(9) Uani 1 1 d . . .
C16 C 1.2086(8) 0.7721(8) 0.4126(8) 0.0714(9) Uani 1 1 d . . .
C17 C 1.1314(7) 0.6991(8) 0.4082(8) 0.0714(9) Uani 1 1 d . . .
H17 H 1.1402 0.6689 0.4428 0.086 Uiso 1 1 calc R U .
C18 C 1.0339(8) 0.6693(8) 0.3478(7) 0.0714(9) Uani 1 1 d . . .
H18 H 0.9805 0.6171 0.3415 0.086 Uiso 1 1 calc R U .
C19 C 1.0207(8) 0.7178(8) 0.3002(8) 0.0714(9) Uani 1 1 d . . .
C20 C 1.0933(8) 0.8011(8) 0.3214(7) 0.0714(9) Uani 1 1 d . . .
H20 H 1.0809 0.8436 0.3012 0.086 Uiso 1 1 calc R U .
C21 C 1.1872(8) 0.8259(9) 0.3730(7) 0.0714(9) Uani 1 1 d . . .
H21 H 1.2381 0.8815 0.3814 0.086 Uiso 1 1 calc R U .
O17 O 0.5789(8) 0.2875(6) 0.0805(6) 0.094(3) Uani 1 1 d . . .
C22 C 0.5569(6) 0.8229(6) 0.4400(4) 0.0379(18) Uani 1 1 d . . .
C23 C 0.5966(6) 0.7720(6) 0.3802(5) 0.0393(18) Uani 1 1 d . . .
C24 C 0.5911(7) 0.7840(6) 0.3076(5) 0.045(2) Uani 1 1 d . . .
H24 H 0.5562 0.8170 0.2924 0.054 Uiso 1 1 calc R U .
C25 C 0.6363(6) 0.7479(7) 0.2584(5) 0.045(2) Uani 1 1 d . . .
H25 H 0.6306 0.7559 0.2097 0.054 Uiso 1 1 calc R U .
C26 C 0.6911(6) 0.6993(6) 0.2799(4) 0.0393(18) Uani 1 1 d . . .
C27 C 0.6926(6) 0.6841(6) 0.3523(5) 0.044(2) Uani 1 1 d . . .
H27 H 0.7269 0.6509 0.3680 0.053 Uiso 1 1 calc R U .
C28 C 0.6441(6) 0.7178(6) 0.3990(5) 0.0436(19) Uani 1 1 d . . .
H28 H 0.6429 0.7041 0.4444 0.052 Uiso 1 1 calc R U .
C29 C 0.6591(6) 0.4740(6) -0.1549(4) 0.0397(18) Uani 1 1 d . . .
H29 H 0.6282 0.4412 -0.2123 0.048 Uiso 1 1 calc R U .
C30 C 0.6763(6) 0.5708(6) -0.1171(5) 0.0374(17) Uani 1 1 d . . .
C31 C 0.7178(5) 0.6158(5) -0.0296(4) 0.0324(16) Uani 1 1 d . . .
C32 C 0.7470(6) 0.5707(5) 0.0166(5) 0.0346(16) Uani 1 1 d . . .
C33 C 0.7334(6) 0.4766(5) -0.0241(4) 0.0351(16) Uani 1 1 d . . .
C34 C 0.6858(6) 0.4259(5) -0.1106(4) 0.0348(16) Uani 1 1 d . . .
C35 C 0.7866(6) 0.6186(5) 0.1082(4) 0.0341(16) Uani 1 1 d . . .
C36 C 0.7236(6) 0.6316(5) 0.1497(5) 0.0367(17) Uani 1 1 d . . .
C37 C 0.7538(6) 0.6743(6) 0.2361(5) 0.0380(17) Uani 1 1 d . . .
C38 C 0.8520(6) 0.7004(6) 0.2811(5) 0.0412(18) Uani 1 1 d . . .
H38 H 0.8739 0.7276 0.3388 0.049 Uiso 1 1 calc R U .
C39 C 0.9188(5) 0.6886(5) 0.2455(5) 0.0356(17) Uani 1 1 d . . .
C40 C 0.8852(5) 0.6489(5) 0.1576(5) 0.0352(16) Uani 1 1 d . . .
C41 C 0.8433(7) 0.4104(7) 0.0111(6) 0.060(3) Uani 1 1 d . . .
H41A H 0.8609 0.3803 0.0459 0.089 Uiso 1 1 calc R U .
H41B H 0.8229 0.3675 -0.0460 0.089 Uiso 1 1 calc R U .
H41C H 0.8991 0.4681 0.0251 0.089 Uiso 1 1 calc R U .
C56 C 0.637(2) 0.3203(12) 0.131(2) 0.41(4) Uani 1 1 d . . .
H56 H 0.6640 0.2770 0.1170 0.496 Uiso 1 1 calc R U .
C55 C 0.797(3) 0.4244(15) 0.2016(13) 0.30(3) Uani 1 1 d . . .
H55A H 0.8423 0.4642 0.2581 0.449 Uiso 1 1 calc R U .
H55B H 0.8204 0.3791 0.1754 0.449 Uiso 1 1 calc R U .
H55C H 0.7937 0.4635 0.1724 0.449 Uiso 1 1 calc R U .
C54 C 0.701(2) 0.398(2) 0.295(2) 0.38(4) Uani 1 1 d . . .
H54A H 0.7654 0.4440 0.3356 0.565 Uiso 1 1 calc R U .
H54B H 0.6538 0.4230 0.3016 0.565 Uiso 1 1 calc R U .
H54C H 0.6839 0.3398 0.3026 0.565 Uiso 1 1 calc R U .
C42 C 0.6543(7) 0.7322(6) 0.0068(6) 0.049(2) Uani 1 1 d . . .
H42A H 0.6761 0.7996 0.0382 0.073 Uiso 1 1 calc R U .
H42B H 0.6175 0.7141 -0.0503 0.073 Uiso 1 1 calc R U .
H42C H 0.6132 0.6972 0.0285 0.073 Uiso 1 1 calc R U .
C43 C 0.5609(7) 0.5123(7) 0.0981(6) 0.057(2) Uani 1 1 d . . .
H43A H 0.4943 0.4939 0.0637 0.086 Uiso 1 1 calc R U .
H43B H 0.5810 0.4628 0.0757 0.086 Uiso 1 1 calc R U .
H43C H 0.5647 0.5215 0.1533 0.086 Uiso 1 1 calc R U .
C44 C 0.9918(12) 0.7074(10) 0.0944(10) 0.106(5) Uani 1 1 d . . .
H44A H 1.0355 0.6926 0.0686 0.159 Uiso 1 1 calc R U .
H44B H 0.9403 0.7106 0.0557 0.159 Uiso 1 1 calc R U .
H44C H 1.0279 0.7681 0.1422 0.159 Uiso 1 1 calc R U .
C45 C 0.6478(18) 0.1394(12) 0.1855(9) 0.147(9) Uani 1 1 d . . .
H45 H 0.5901 0.1286 0.1958 0.177 Uiso 1 1 calc R U .
C46 C 0.8180(12) 0.2024(13) 0.2409(11) 0.116(6) Uani 1 1 d . . .
H46A H 0.8709 0.2388 0.2943 0.175 Uiso 1 1 calc R U .
H46B H 0.8191 0.1418 0.2141 0.175 Uiso 1 1 calc R U .
H46C H 0.8257 0.2371 0.2074 0.175 Uiso 1 1 calc R U .
C47 C 0.7406(16) 0.2263(18) 0.3411(11) 0.215(16) Uani 1 1 d . . .
H47A H 0.8092 0.2589 0.3762 0.322 Uiso 1 1 calc R U .
H47B H 0.7108 0.2703 0.3509 0.322 Uiso 1 1 calc R U .
H47C H 0.7086 0.1743 0.3533 0.322 Uiso 1 1 calc R U .
C48 C 0.3600(9) 0.0212(9) 0.1219(6) 0.064(3) Uani 1 1 d . . .
H48 H 0.3794 0.0701 0.1740 0.077 Uiso 1 1 calc R U .
C49 C 0.2457(12) -0.1379(10) 0.0225(8) 0.102(5) Uani 1 1 d . . .
H49A H 0.1859 -0.1870 0.0157 0.153 Uiso 1 1 calc R U .
H49B H 0.2337 -0.1202 -0.0228 0.153 Uiso 1 1 calc R U .
H49C H 0.2953 -0.1616 0.0232 0.153 Uiso 1 1 calc R U .
C50 C 0.2267(10) -0.0624(11) 0.1535(9) 0.090(4) Uani 1 1 d . . .
H50A H 0.1695 -0.1225 0.1283 0.135 Uiso 1 1 calc R U .
H50B H 0.2699 -0.0566 0.2040 0.135 Uiso 1 1 calc R U .
H50C H 0.2069 -0.0109 0.1657 0.135 Uiso 1 1 calc R U .
C51 C 0.6835(9) 0.9662(7) 0.2402(7) 0.075(3) Uani 1 1 d . . .
H51 H 0.6327 0.9809 0.2500 0.090 Uiso 1 1 calc R U .
C52 C 0.8380(11) 0.9629(14) 0.2979(13) 0.138(7) Uani 1 1 d . . .
H52A H 0.8835 0.9809 0.3522 0.207 Uiso 1 1 calc R U .
H52B H 0.8148 0.8956 0.2650 0.207 Uiso 1 1 calc R U .
H52C H 0.8705 0.9983 0.2717 0.207 Uiso 1 1 calc R U .
C53 C 0.7518(17) 1.0274(13) 0.3933(10) 0.186(12) Uani 1 1 d . . .
H53A H 0.8092 1.0370 0.4357 0.279 Uiso 1 1 calc R U .
H53B H 0.7486 1.0877 0.4028 0.279 Uiso 1 1 calc R U .
H53C H 0.6940 0.9841 0.3948 0.279 Uiso 1 1 calc R U .
Cd1 Cd 0.48569(4) -0.16603(4) -0.41158(3) 0.03326(19) Uani 1 1 d . . .
Cd2 Cd 0.5000 0.0000 -0.5000 0.0385(2) Uani 1 2 d S . P
Cd3 Cd 0.5000 0.0000 0.0000 0.0643(3) Uani 1 2 d S . P
N1 N 0.2778(7) -0.0581(7) 0.0970(6) 0.068(2) Uani 1 1 d . . .
N2 N 0.7297(9) 0.1875(7) 0.2506(7) 0.086(3) Uani 1 1 d . . .
N3 N 0.7579(8) 0.9834(7) 0.3050(6) 0.082(3) Uani 1 1 d . . .
O1 O 0.5755(4) -0.0020(4) -0.3750(3) 0.0385(6) Uani 1 1 d . . .
O2 O 0.4993(4) -0.0385(4) -0.2940(3) 0.0385(6) Uani 1 1 d . . .
O3 O 0.4701(4) 0.7183(4) -0.3659(3) 0.0437(6) Uani 1 1 d . . .
O4 O 0.6213(4) 0.8297(4) -0.3148(3) 0.0437(6) Uani 1 1 d . . .
O5 O 1.3697(5) 0.8832(6) 0.4985(5) 0.0714(9) Uani 1 1 d . . .
O6 O 1.3235(5) 0.7494(6) 0.5050(5) 0.0714(9) Uani 1 1 d . . .
O7 O 0.5370(5) 0.7854(4) 0.4880(4) 0.0511(15) Uani 1 1 d . . .
O8 O 0.5490(5) 0.8949(5) 0.4349(4) 0.0581(18) Uani 1 1 d . . .
O9 O 0.7643(4) 0.4329(4) 0.0234(3) 0.0439(14) Uani 1 1 d . . .
O10 O 0.7371(4) 0.7110(4) 0.0128(3) 0.0408(13) Uani 1 1 d . . .
O11 O 0.6251(4) 0.6007(4) 0.1004(3) 0.0407(13) Uani 1 1 d . . .
O12 O 0.9496(4) 0.6343(4) 0.1195(3) 0.0426(13) Uani 1 1 d . . .
O13 O 0.6380(7) 0.1076(6) 0.1142(5) 0.089(3) Uani 1 1 d . . .
O14 O 0.4130(6) 0.0348(6) 0.0808(5) 0.079(2) Uani 1 1 d . . .
O15 O 0.5135(6) -0.1105(6) 0.0411(5) 0.076(2) Uani 1 1 d . . .
O16 O 0.6768(7) 0.9325(6) 0.1688(5) 0.083(2) 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'
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'
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
O2 C1 O1 119.6(7) . .
O2 C1 C2 121.1(7) . .
O1 C1 C2 119.3(7) . .
O2 C1 Cd1 60.2(4) . .
O1 C1 Cd1 59.4(4) . .
C2 C1 Cd1 177.7(6) . .
C3 C2 C7 119.5(7) . .
C3 C2 C1 120.0(7) . .
C7 C2 C1 120.5(7) . .
C2 C3 C4 119.9(7) . .
C2 C3 H3 120.1 . .
C4 C3 H3 120.1 . .
C5 C4 C3 120.5(8) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
C56 N4 C55 117(3) . .
C56 N4 C54 131(3) . .
C55 N4 C54 112.3(15) . .
C6 C5 C4 119.4(7) . .
C6 C5 C34 122.6(7) . .
C4 C5 C34 117.8(7) . .
C5 C6 C7 121.0(7) . .
C5 C6 H6 119.5 . .
C7 C6 H6 119.5 . .
C6 C7 C2 119.7(8) . .
C6 C7 H7 120.1 . .
C2 C7 H7 120.1 . .
O4 C8 O3 118.9(7) . .
O4 C8 C9 121.7(8) . .
O3 C8 C9 119.3(8) . .
O4 C8 Cd1 63.3(4) . 1_565
O3 C8 Cd1 55.5(4) . 1_565
C9 C8 Cd1 173.8(7) . 1_565
C14 C9 C10 118.7(8) . .
C14 C9 C8 120.9(8) . .
C10 C9 C8 120.3(8) . .
C11 C10 C9 120.3(8) . .
C11 C10 H10 119.9 . .
C9 C10 H10 119.9 . .
C10 C11 C12 121.0(8) . .
C10 C11 H11 119.5 . .
C12 C11 H11 119.5 . .
C13 C12 C11 117.9(7) . .
C13 C12 C30 122.4(7) . .
C11 C12 C30 119.7(8) . .
C14 C13 C12 121.0(8) . .
C14 C13 H13 119.5 . .
C12 C13 H13 119.5 . .
C13 C14 C9 120.9(8) . .
C13 C14 H14 119.5 . .
C9 C14 H14 119.5 . .
O5 C15 O6 122.5(10) . .
O5 C15 C16 118.0(11) . .
O6 C15 C16 119.5(10) . .
C21 C16 C17 117.0(10) . .
C21 C16 C15 123.3(10) . .
C17 C16 C15 117.8(11) . .
C16 C17 C18 118.3(11) . .
C16 C17 H17 120.8 . .
C18 C17 H17 120.8 . .
C19 C18 C17 120.3(10) . .
C19 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C20 C19 C18 117.6(10) . .
C20 C19 C39 122.7(10) . .
C18 C19 C39 117.2(9) . .
C19 C20 C21 120.8(11) . .
C19 C20 H20 119.6 . .
C21 C20 H20 119.6 . .
C16 C21 C20 122.7(11) . .
C16 C21 H21 118.6 . .
C20 C21 H21 118.6 . .
O8 C22 O7 129.3(7) . .
O8 C22 C23 116.1(7) . .
O7 C22 C23 114.6(7) . .
C28 C23 C24 118.4(7) . .
C28 C23 C22 121.1(7) . .
C24 C23 C22 120.3(7) . .
C25 C24 C23 120.9(7) . .
C25 C24 H24 119.5 . .
C23 C24 H24 119.5 . .
C24 C25 C26 121.3(8) . .
C24 C25 H25 119.4 . .
C26 C25 H25 119.4 . .
C25 C26 C27 117.1(7) . .
C25 C26 C37 122.2(7) . .
C27 C26 C37 120.4(7) . .
C28 C27 C26 120.6(7) . .
C28 C27 H27 119.7 . .
C26 C27 H27 119.7 . .
C27 C28 C23 121.3(8) . .
C27 C28 H28 119.3 . .
C23 C28 H28 119.3 . .
C34 C29 C30 123.0(7) . .
C34 C29 H29 118.5 . .
C30 C29 H29 118.5 . .
C29 C30 C31 116.3(7) . .
C29 C30 C12 119.6(7) . .
C31 C30 C12 124.1(7) . .
C32 C31 O10 117.4(6) . .
C32 C31 C30 122.2(7) . .
O10 C31 C30 120.2(7) . .
C31 C32 C33 119.1(7) . .
C31 C32 C35 120.7(7) . .
C33 C32 C35 120.1(7) . .
C34 C33 O9 120.6(7) . .
C34 C33 C32 121.1(7) . .
O9 C33 C32 118.2(6) . .
C29 C34 C33 118.0(7) . .
C29 C34 C5 119.1(7) . .
C33 C34 C5 122.9(7) . .
C36 C35 C40 116.8(7) . .
C36 C35 C32 119.8(7) . .
C40 C35 C32 123.3(7) . .
C35 C36 O11 116.8(7) . .
C35 C36 C37 123.9(7) . .
O11 C36 C37 119.2(7) . .
C38 C37 C36 116.0(7) . .
C38 C37 C26 119.8(7) . .
C36 C37 C26 124.0(7) . .
C37 C38 C39 124.0(7) . .
C37 C38 H38 118.0 . .
C39 C38 H38 118.0 . .
C38 C39 C40 117.6(7) . .
C38 C39 C19 118.8(8) . .
C40 C39 C19 123.6(8) . .
O12 C40 C35 119.0(6) . .
O12 C40 C39 119.3(6) . .
C35 C40 C39 121.6(7) . .
O9 C41 H41A 109.5 . .
O9 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
O9 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
O17 C56 N4 168(3) . .
O17 C56 H56 96.2 . .
N4 C56 H56 96.2 . .
N4 C55 H55A 109.5 . .
N4 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
N4 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
N4 C54 H54A 109.5 . .
N4 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
N4 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
O10 C42 H42A 109.5 . .
O10 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
O10 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
O11 C43 H43A 109.5 . .
O11 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
O11 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
O12 C44 H44A 109.5 . .
O12 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
O12 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
O13 C45 N2 128(2) . .
O13 C45 H45 116.1 . .
N2 C45 H45 116.1 . .
N2 C46 H46A 109.5 . .
N2 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
N2 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
N2 C47 H47A 109.5 . .
N2 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
N2 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
O14 C48 N1 125.4(10) . .
O14 C48 H48 117.3 . .
N1 C48 H48 117.3 . .
N1 C49 H49A 109.5 . .
N1 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
N1 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
N1 C50 H50A 109.5 . .
N1 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
N1 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
O16 C51 N3 124.6(12) . .
O16 C51 H51 117.7 . .
N3 C51 H51 117.7 . .
N3 C52 H52A 109.5 . .
N3 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
N3 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
N3 C53 H53A 109.5 . .
N3 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
N3 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
O7 Cd1 O3 101.5(2) 1_544 1_545
O7 Cd1 O6 94.2(3) 1_544 1_444
O3 Cd1 O6 88.0(2) 1_545 1_444
O7 Cd1 O1 93.9(2) 1_544 .
O3 Cd1 O1 143.92(19) 1_545 .
O6 Cd1 O1 123.4(2) 1_444 .
O7 Cd1 O2 148.9(2) 1_544 .
O3 Cd1 O2 101.20(19) 1_545 .
O6 Cd1 O2 107.5(3) 1_444 .
O1 Cd1 O2 55.70(18) . .
O7 Cd1 O4 90.2(2) 1_544 1_545
O3 Cd1 O4 55.5(2) 1_545 1_545
O6 Cd1 O4 143.3(2) 1_444 1_545
O1 Cd1 O4 92.42(19) . 1_545
O2 Cd1 O4 85.44(19) . 1_545
O7 Cd1 O5 90.9(3) 1_544 1_444
O3 Cd1 O5 137.8(2) 1_545 1_444
O6 Cd1 O5 50.6(2) 1_444 1_444
O1 Cd1 O5 73.4(2) . 1_444
O2 Cd1 O5 86.4(2) . 1_444
O4 Cd1 O5 165.9(2) 1_545 1_444
O7 Cd1 C8 96.5(2) 1_544 1_545
O3 Cd1 C8 28.2(2) 1_545 1_545
O6 Cd1 C8 116.1(3) 1_444 1_545
O1 Cd1 C8 118.3(2) . 1_545
O2 Cd1 C8 93.6(2) . 1_545
O4 Cd1 C8 27.3(2) 1_545 1_545
O5 Cd1 C8 165.5(3) 1_444 1_545
O7 Cd1 C1 121.6(2) 1_544 .
O3 Cd1 C1 124.2(2) 1_545 .
O6 Cd1 C1 119.0(3) 1_444 .
O1 Cd1 C1 28.0(2) . .
O2 Cd1 C1 27.7(2) . .
O4 Cd1 C1 88.5(2) 1_545 .
O5 Cd1 C1 79.0(2) 1_444 .
C8 Cd1 C1 107.4(2) 1_545 .
O8 Cd2 O8 180.0(3) 2_665 1_544
O8 Cd2 O5 92.1(3) 2_665 2_765
O8 Cd2 O5 87.9(3) 1_544 2_765
O8 Cd2 O5 87.9(3) 2_665 1_444
O8 Cd2 O5 92.1(3) 1_544 1_444
O5 Cd2 O5 180.0 2_765 1_444
O8 Cd2 O1 90.0(2) 2_665 .
O8 Cd2 O1 90.0(2) 1_544 .
O5 Cd2 O1 99.0(2) 2_765 .
O5 Cd2 O1 81.0(2) 1_444 .
O8 Cd2 O1 90.0(2) 2_665 2_654
O8 Cd2 O1 90.0(2) 1_544 2_654
O5 Cd2 O1 81.0(2) 2_765 2_654
O5 Cd2 O1 99.0(2) 1_444 2_654
O1 Cd2 O1 180.00(13) . 2_654
O15 Cd3 O15 180.0 . 2_655
O15 Cd3 O13 93.0(3) . 2_655
O15 Cd3 O13 87.0(3) 2_655 2_655
O15 Cd3 O13 87.0(3) . .
O15 Cd3 O13 93.0(3) 2_655 .
O13 Cd3 O13 180.0(5) 2_655 .
O15 Cd3 O14 91.2(3) . .
O15 Cd3 O14 88.8(3) 2_655 .
O13 Cd3 O14 93.4(3) 2_655 .
O13 Cd3 O14 86.6(3) . .
O15 Cd3 O14 88.8(3) . 2_655
O15 Cd3 O14 91.2(3) 2_655 2_655
O13 Cd3 O14 86.6(3) 2_655 2_655
O13 Cd3 O14 93.4(3) . 2_655
O14 Cd3 O14 180.0 . 2_655
C48 N1 C49 121.9(11) . .
C48 N1 C50 117.9(10) . .
C49 N1 C50 119.9(12) . .
C45 N2 C46 119.7(15) . .
C45 N2 C47 127.0(15) . .
C46 N2 C47 113.2(13) . .
C51 N3 C52 122.9(13) . .
C51 N3 C53 116.4(14) . .
C52 N3 C53 120.6(15) . .
C1 O1 Cd2 124.7(5) . .
C1 O1 Cd1 92.6(5) . .
Cd2 O1 Cd1 98.25(19) . .
C1 O2 Cd1 92.1(4) . .
C8 O3 Cd1 96.3(5) . 1_565
C8 O4 Cd1 89.3(5) . 1_565
C15 O5 Cd2 157.2(9) . 1_666
C15 O5 Cd1 84.7(7) . 1_666
Cd2 O5 Cd1 92.2(2) 1_666 1_666
C15 O6 Cd1 101.9(7) . 1_666
C22 O7 Cd1 129.1(5) . 1_566
C22 O8 Cd2 135.3(5) . 1_566
C33 O9 C41 113.9(7) . .
C31 O10 C42 116.5(6) . .
C36 O11 C43 112.4(7) . .
C40 O12 C44 114.1(7) . .
C45 O13 Cd3 129.3(13) . .
C48 O14 Cd3 157.2(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.273(10) .
C1 O1 1.289(9) .
C1 C2 1.474(10) .
C1 Cd1 2.740(8) .
C2 C3 1.345(11) .
C2 C7 1.418(10) .
C3 C4 1.414(10) .
C3 H3 0.9300 .
C4 C5 1.385(10) .
C4 H4 0.9300 .
N4 C56 1.23(2) .
N4 C55 1.42(3) .
N4 C54 1.67(4) .
C5 C6 1.357(11) .
C5 C34 1.500(10) .
C6 C7 1.383(10) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 O4 1.253(10) .
C8 O3 1.296(10) .
C8 C9 1.450(11) .
C8 Cd1 2.728(8) 1_565
C9 C14 1.381(12) .
C9 C10 1.425(12) .
C10 C11 1.363(11) .
C10 H10 0.9300 .
C11 C12 1.409(12) .
C11 H11 0.9300 .
C12 C13 1.409(12) .
C12 C30 1.478(11) .
C13 C14 1.372(11) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 O5 1.202(13) .
C15 O6 1.214(13) .
C15 C16 1.507(14) .
C16 C21 1.370(15) .
C16 C17 1.356(15) .
C17 C18 1.459(14) .
C17 H17 0.9300 .
C18 C19 1.374(15) .
C18 H18 0.9300 .
C19 C20 1.319(15) .
C19 C39 1.478(12) .
C20 C21 1.376(14) .
C20 H20 0.9300 .
C21 H21 0.9300 .
O17 C56 0.969(18) .
C22 O8 1.246(10) .
C22 O7 1.263(10) .
C22 C23 1.526(10) .
C23 C28 1.384(11) .
C23 C24 1.393(11) .
C24 C25 1.369(11) .
C24 H24 0.9300 .
C25 C26 1.401(11) .
C25 H25 0.9300 .
C26 C27 1.423(11) .
C26 C37 1.471(10) .
C27 C28 1.366(11) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 C34 1.377(11) .
C29 C30 1.408(11) .
C29 H29 0.9300 .
C30 C31 1.411(10) .
C31 C32 1.372(10) .
C31 O10 1.387(8) .
C32 C33 1.394(10) .
C32 C35 1.476(10) .
C33 C34 1.402(10) .
C33 O9 1.379(9) .
C35 C36 1.398(11) .
C35 C40 1.403(11) .
C36 O11 1.399(9) .
C36 C37 1.398(10) .
C37 C38 1.391(11) .
C38 C39 1.377(11) .
C38 H38 0.9300 .
C39 C40 1.418(10) .
C40 O12 1.383(9) .
C41 O9 1.427(10) .
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C41 H41C 0.9600 .
C56 H56 0.9300 .
C55 H55A 0.9600 .
C55 H55B 0.9600 .
C55 H55C 0.9600 .
C54 H54A 0.9600 .
C54 H54B 0.9600 .
C54 H54C 0.9600 .
C42 O10 1.416(10) .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 O11 1.448(11) .
C43 H43A 0.9600 .
C43 H43B 0.9600 .
C43 H43C 0.9600 .
C44 O12 1.434(13) .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C45 O13 1.194(15) .
C45 N2 1.30(2) .
C45 H45 0.9300 .
C46 N2 1.375(17) .
C46 H46A 0.9600 .
C46 H46B 0.9600 .
C46 H46C 0.9600 .
C47 N2 1.522(19) .
C47 H47A 0.9600 .
C47 H47B 0.9600 .
C47 H47C 0.9600 .
C48 O14 1.255(12) .
C48 N1 1.342(14) .
C48 H48 0.9300 .
C49 N1 1.393(15) .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C50 N1 1.451(15) .
C50 H50A 0.9600 .
C50 H50B 0.9600 .
C50 H50C 0.9600 .
C51 O16 1.213(13) .
C51 N3 1.321(16) .
C51 H51 0.9300 .
C52 N3 1.404(19) .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
C53 N3 1.588(19) .
C53 H53A 0.9600 .
C53 H53B 0.9600 .
C53 H53C 0.9600 .
Cd1 O7 2.194(6) 1_544
Cd1 O3 2.263(5) 1_545
Cd1 O6 2.273(7) 1_444
Cd1 O1 2.361(5) .
Cd1 O2 2.380(5) .
Cd1 O4 2.439(5) 1_545
Cd1 O5 2.630(7) 1_444
Cd1 C8 2.728(8) 1_545
Cd2 O8 2.208(5) 2_665
Cd2 O8 2.208(5) 1_544
Cd2 O5 2.278(8) 2_765
Cd2 O5 2.278(8) 1_444
Cd2 O1 2.327(5) .
Cd2 O1 2.327(5) 2_654
Cd3 O15 2.208(8) .
Cd3 O15 2.208(8) 2_655
Cd3 O13 2.275(9) 2_655
Cd3 O13 2.275(9) .
Cd3 O14 2.286(8) .
Cd3 O14 2.286(8) 2_655
O3 Cd1 2.263(5) 1_565
O4 Cd1 2.439(5) 1_565
O5 Cd2 2.278(7) 1_666
O5 Cd1 2.630(7) 1_666
O6 Cd1 2.273(7) 1_666
O7 Cd1 2.194(6) 1_566
O8 Cd2 2.208(5) 1_566
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_4
O2 C1 C2 C3 -172.9(7) .
O1 C1 C2 C3 8.3(11) .
O2 C1 C2 C7 4.4(12) .
O1 C1 C2 C7 -174.4(7) .
C7 C2 C3 C4 -2.2(10) .
C1 C2 C3 C4 175.1(7) .
C2 C3 C4 C5 0.6(10) .
C3 C4 C5 C6 0.8(12) .
C3 C4 C5 C34 -173.8(7) .
C4 C5 C6 C7 -0.6(12) .
C34 C5 C6 C7 173.8(7) .
C5 C6 C7 C2 -1.1(12) .
C3 C2 C7 C6 2.5(11) .
C1 C2 C7 C6 -174.8(7) .
O4 C8 C9 C14 9.4(14) .
O3 C8 C9 C14 -166.5(8) .
O4 C8 C9 C10 -170.1(8) .
O3 C8 C9 C10 14.0(13) .
C14 C9 C10 C11 0.4(13) .
C8 C9 C10 C11 179.9(8) .
C9 C10 C11 C12 3.0(13) .
C10 C11 C12 C13 -4.9(13) .
C10 C11 C12 C30 177.4(8) .
C11 C12 C13 C14 3.6(13) .
C30 C12 C13 C14 -178.8(8) .
C12 C13 C14 C9 -0.3(14) .
C10 C9 C14 C13 -1.8(13) .
C8 C9 C14 C13 178.8(8) .
O5 C15 C16 C21 7(2) .
O6 C15 C16 C21 -175.6(12) .
O5 C15 C16 C17 -157.7(13) .
O6 C15 C16 C17 20.1(19) .
C21 C16 C17 C18 13.6(19) .
C15 C16 C17 C18 178.9(11) .
C16 C17 C18 C19 -3.6(19) .
C17 C18 C19 C20 -12.4(19) .
C17 C18 C19 C39 -175.0(10) .
C18 C19 C20 C21 18(2) .
C39 C19 C20 C21 179.5(11) .
C17 C16 C21 C20 -9(2) .
C15 C16 C21 C20 -173.2(12) .
C19 C20 C21 C16 -8(2) .
O8 C22 C23 C28 154.5(8) .
O7 C22 C23 C28 -25.1(12) .
O8 C22 C23 C24 -21.6(12) .
O7 C22 C23 C24 158.8(8) .
C28 C23 C24 C25 -3.8(14) .
C22 C23 C24 C25 172.4(8) .
C23 C24 C25 C26 -1.2(14) .
C24 C25 C26 C27 3.7(13) .
C24 C25 C26 C37 -169.5(8) .
C25 C26 C27 C28 -1.4(13) .
C37 C26 C27 C28 171.9(8) .
C26 C27 C28 C23 -3.5(14) .
C24 C23 C28 C27 6.1(13) .
C22 C23 C28 C27 -170.1(8) .
C34 C29 C30 C31 -3.7(12) .
C34 C29 C30 C12 177.5(8) .
C13 C12 C30 C29 -133.3(9) .
C11 C12 C30 C29 44.3(12) .
C13 C12 C30 C31 48.0(13) .
C11 C12 C30 C31 -134.4(9) .
C29 C30 C31 C32 4.9(12) .
C12 C30 C31 C32 -176.4(8) .
C29 C30 C31 O10 -179.9(7) .
C12 C30 C31 O10 -1.2(12) .
O10 C31 C32 C33 -176.8(7) .
C30 C31 C32 C33 -1.4(12) .
O10 C31 C32 C35 7.1(11) .
C30 C31 C32 C35 -177.6(7) .
C31 C32 C33 C34 -3.5(12) .
C35 C32 C33 C34 172.7(7) .
C31 C32 C33 O9 179.3(7) .
C35 C32 C33 O9 -4.5(11) .
C30 C29 C34 C33 -0.9(12) .
C30 C29 C34 C5 176.3(8) .
O9 C33 C34 C29 -178.3(7) .
C32 C33 C34 C29 4.6(12) .
O9 C33 C34 C5 4.7(12) .
C32 C33 C34 C5 -172.5(7) .
C6 C5 C34 C29 -128.4(9) .
C4 C5 C34 C29 46.1(11) .
C6 C5 C34 C33 48.6(12) .
C4 C5 C34 C33 -136.9(8) .
C31 C32 C35 C36 71.3(10) .
C33 C32 C35 C36 -104.8(9) .
C31 C32 C35 C40 -111.7(9) .
C33 C32 C35 C40 72.1(11) .
C40 C35 C36 O11 -179.5(7) .
C32 C35 C36 O11 -2.3(11) .
C40 C35 C36 C37 1.4(12) .
C32 C35 C36 C37 178.6(8) .
C35 C36 C37 C38 -2.9(12) .
O11 C36 C37 C38 178.0(7) .
C35 C36 C37 C26 171.8(8) .
O11 C36 C37 C26 -7.3(12) .
C25 C26 C37 C38 127.4(9) .
C27 C26 C37 C38 -45.6(12) .
C25 C26 C37 C36 -47.1(13) .
C27 C26 C37 C36 139.9(9) .
C36 C37 C38 C39 1.5(13) .
C26 C37 C38 C39 -173.4(8) .
C37 C38 C39 C40 1.2(13) .
C37 C38 C39 C19 -178.9(9) .
C20 C19 C39 C38 -97.7(14) .
C18 C19 C39 C38 63.9(14) .
C20 C19 C39 C40 82.1(15) .
C18 C19 C39 C40 -116.3(12) .
C36 C35 C40 O12 177.6(7) .
C32 C35 C40 O12 0.5(12) .
C36 C35 C40 C39 1.6(11) .
C32 C35 C40 C39 -175.5(7) .
C38 C39 C40 O12 -178.8(7) .
C19 C39 C40 O12 1.4(12) .
C38 C39 C40 C35 -2.8(12) .
C19 C39 C40 C35 177.4(8) .
C55 N4 C56 O17 -114(25) .
C54 N4 C56 O17 68(25) .
O14 C48 N1 C49 4.2(18) .
O14 C48 N1 C50 178.8(11) .
O13 C45 N2 C46 -3(3) .
O13 C45 N2 C47 -179(2) .
O16 C51 N3 C52 -0.9(16) .
O16 C51 N3 C53 -179.7(9) .
O2 C1 O1 Cd2 100.8(8) .
C2 C1 O1 Cd2 -80.4(9) .
Cd1 C1 O1 Cd2 101.9(5) .
O2 C1 O1 Cd1 -1.1(8) .
C2 C1 O1 Cd1 177.7(6) .
O1 C1 O2 Cd1 1.1(8) .
C2 C1 O2 Cd1 -177.7(7) .
O4 C8 O3 Cd1 0.1(9) 1_565
C9 C8 O3 Cd1 176.1(7) 1_565
O3 C8 O4 Cd1 -0.1(8) 1_565
C9 C8 O4 Cd1 -176.0(8) 1_565
O6 C15 O5 Cd2 88(2) 1_666
C16 C15 O5 Cd2 -94(2) 1_666
O6 C15 O5 Cd1 4.8(13) 1_666
C16 C15 O5 Cd1 -177.5(12) 1_666
O5 C15 O6 Cd1 -5.6(15) 1_666
C16 C15 O6 Cd1 176.7(10) 1_666
O8 C22 O7 Cd1 -3.0(13) 1_566
C23 C22 O7 Cd1 176.6(5) 1_566
O7 C22 O8 Cd2 0.2(15) 1_566
C23 C22 O8 Cd2 -179.4(6) 1_566
C34 C33 O9 C41 68.1(10) .
C32 C33 O9 C41 -114.7(8) .
C32 C31 O10 C42 -117.8(8) .
C30 C31 O10 C42 66.7(10) .
C35 C36 O11 C43 104.8(8) .
C37 C36 O11 C43 -76.0(9) .
C35 C40 O12 C44 84.4(11) .
C39 C40 O12 C44 -99.5(11) .
N2 C45 O13 Cd3 166.8(12) .
N1 C48 O14 Cd3 -47(3) .
