#------------------------------------------------------------------------------
#$Date: 2019-11-05 20:18:30 +0200 (Tue, 05 Nov 2019) $
#$Revision: 223360 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/17/7701799.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_7701799
loop_
_publ_author_name
'Hu, Min-Na'
'Zhang, Wen-Qian'
'Liu, Hua'
'He, Peng-Xiu'
'Liu, Ping'
'Wang, Yao-Yu'
'Li, Jian-Li'
_publ_section_title
;
 Five complexes based on a new racemic tetraoxaspiro ligand: correlation
 of potential coordination preferences with the structure, magnetic
 properties and luminescence properties.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3862
_journal_page_last               3873
_journal_paper_doi               10.1039/c8dt04051f
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C44 H54 Cd2 Cl4 N6 O10'
_chemical_formula_weight         1193.53
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc205mpj
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-12-25 deposited with the CCDC.
2019-01-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.932(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.150(3)
_cell_length_b                   18.158(5)
_cell_length_c                   11.986(3)
_cell_measurement_reflns_used    6074
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.08
_cell_measurement_theta_min      2.36
_cell_volume                     2409.0(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-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.960
_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  0.0272
_diffrn_reflns_av_unetI/netI     0.0493
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14930
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.352
_diffrn_reflns_theta_min         1.712
_exptl_absorpt_coefficient_mu    1.167
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_description       block
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.140
_refine_diff_density_max         2.039
_refine_diff_density_min         -0.669
_refine_diff_density_rms         0.138
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.08(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     598
_refine_ls_number_reflns         8794
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0466
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0764P)²+4.4905P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1341
_refine_ls_wR_factor_ref         0.1442
_reflns_Friedel_coverage         0.943
_reflns_Friedel_fraction_full    0.982
_reflns_Friedel_fraction_max     0.962
_reflns_number_gt                8028
_reflns_number_total             8794
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt04051f2.cif
_cod_data_source_block           1_CCDC4
_cod_original_cell_volume        2408.9(12)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7701799
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.800
_shelx_estimated_absorpt_t_max   0.854
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -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
C1 C 0.4715(8) 0.2759(6) 0.8597(8) 0.034(2) Uani 1 1 d . .
H1 H 0.5297 0.2390 0.8643 0.041 Uiso 1 1 calc R U
C2 C 0.3852(10) 0.2729(7) 0.9329(8) 0.042(2) Uani 1 1 d . .
H2 H 0.3852 0.2350 0.9851 0.051 Uiso 1 1 calc R U
C3 C 0.2991(9) 0.3276(8) 0.9266(7) 0.041(2) Uani 1 1 d . .
H3 H 0.2396 0.3269 0.9747 0.049 Uiso 1 1 calc R U
C4 C 0.3014(8) 0.3826(5) 0.8496(7) 0.0273(18) Uani 1 1 d . .
C5 C 0.3910(8) 0.3825(5) 0.7792(7) 0.0262(17) Uani 1 1 d . .
H5 H 0.3929 0.4207 0.7277 0.031 Uiso 1 1 calc R U
C6 C 0.2067(8) 0.4428(6) 0.8400(7) 0.0309(18) Uani 1 1 d . .
H6 H 0.2154 0.4722 0.9091 0.037 Uiso 1 1 calc R U
C7 C -0.0015(8) 0.4591(6) 0.8211(7) 0.033(2) Uani 1 1 d . .
H7A H 0.0029 0.4869 0.8906 0.040 Uiso 1 1 calc R U
H7B H -0.0782 0.4333 0.8110 0.040 Uiso 1 1 calc R U
C8 C 0.0056(8) 0.5111(5) 0.7245(7) 0.0279(18) Uani 1 1 d . .
C9 C 0.1312(8) 0.5446(6) 0.7377(9) 0.037(2) Uani 1 1 d . .
H9A H 0.1408 0.5751 0.6729 0.044 Uiso 1 1 calc R U
H9B H 0.1413 0.5758 0.8040 0.044 Uiso 1 1 calc R U
C10 C -0.0885(8) 0.5732(6) 0.7236(7) 0.0333(19) Uani 1 1 d . .
H10A H -0.1679 0.5521 0.7268 0.040 Uiso 1 1 calc R U
H10B H -0.0692 0.6042 0.7893 0.040 Uiso 1 1 calc R U
C11 C -0.0218(9) 0.4697(5) 0.6138(7) 0.0328(19) Uani 1 1 d . .
H11A H 0.0398 0.4326 0.6083 0.039 Uiso 1 1 calc R U
H11B H -0.0990 0.4447 0.6122 0.039 Uiso 1 1 calc R U
C12 C -0.1152(7) 0.5733(6) 0.5255(7) 0.0296(18) Uani 1 1 d . .
H12 H -0.1947 0.5501 0.5242 0.035 Uiso 1 1 calc R U
C13 C 1.0332(8) 0.1210(5) 0.6489(7) 0.0296(18) Uani 1 1 d . .
H13 H 0.9776 0.0826 0.6426 0.036 Uiso 1 1 calc R U
C14 C 1.1149(8) 0.1246(6) 0.5711(7) 0.0312(19) Uani 1 1 d . .
C15 C 1.1985(11) 0.1826(8) 0.5808(9) 0.051(3) Uani 1 1 d . .
H15 H 1.2567 0.1868 0.5317 0.061 Uiso 1 1 calc R U
C16 C 1.1914(12) 0.2332(9) 0.6657(10) 0.062(4) Uani 1 1 d . .
H16 H 1.2462 0.2720 0.6750 0.075 Uiso 1 1 calc R U
C17 C 1.1054(11) 0.2268(8) 0.7356(9) 0.052(3) Uani 1 1 d . .
H17 H 1.0991 0.2641 0.7878 0.062 Uiso 1 1 calc R U
C18 C 0.7496(10) 0.2130(6) 1.0761(9) 0.040(2) Uani 1 1 d . .
H18 H 0.8076 0.2499 1.0778 0.048 Uiso 1 1 calc R U
C19 C 0.6626(10) 0.2193(6) 1.1464(9) 0.043(2) Uani 1 1 d . .
H19 H 0.6613 0.2597 1.1940 0.052 Uiso 1 1 calc R U
C20 C 0.5778(8) 0.1653(7) 1.1453(8) 0.040(2) Uani 1 1 d . .
H20 H 0.5194 0.1675 1.1944 0.048 Uiso 1 1 calc R U
C21 C 0.5789(8) 0.1069(6) 1.0702(7) 0.0327(19) Uani 1 1 d . .
C22 C 0.6692(8) 0.1059(5) 1.0033(7) 0.0291(18) Uani 1 1 d . .
H22 H 0.6708 0.0671 0.9528 0.035 Uiso 1 1 calc R U
C23 C 0.4795(8) 0.0505(6) 1.0640(7) 0.0324(19) Uani 1 1 d . .
H23 H 0.4842 0.0233 1.1350 0.039 Uiso 1 1 calc R U
C24 C 0.2703(8) 0.0385(6) 1.0374(8) 0.037(2) Uani 1 1 d . .
H24A H 0.1953 0.0658 1.0228 0.044 Uiso 1 1 calc R U
H24B H 0.2698 0.0127 1.1082 0.044 Uiso 1 1 calc R U
C25 C 0.2783(8) -0.0175(5) 0.9431(7) 0.0293(18) Uani 1 1 d . .
C26 C 0.4039(9) -0.0522(6) 0.9630(9) 0.037(2) Uani 1 1 d . .
H26A H 0.4097 -0.0824 1.0303 0.045 Uiso 1 1 calc R U
H26B H 0.4157 -0.0839 0.9002 0.045 Uiso 1 1 calc R U
C27 C 0.1816(9) -0.0750(6) 0.9425(8) 0.036(2) Uani 1 1 d . .
H27A H 0.1947 -0.1038 1.0111 0.044 Uiso 1 1 calc R U
H27B H 0.1032 -0.0515 0.9393 0.044 Uiso 1 1 calc R U
C28 C 0.1676(8) -0.0824(6) 0.7454(8) 0.035(2) Uani 1 1 d . .
H28 H 0.0885 -0.0582 0.7365 0.042 Uiso 1 1 calc R U
C29 C 0.2591(10) 0.0218(6) 0.8305(7) 0.037(2) Uani 1 1 d . .
H29A H 0.1825 0.0477 0.8233 0.045 Uiso 1 1 calc R U
H29B H 0.3228 0.0578 0.8265 0.045 Uiso 1 1 calc R U
C30 C 0.8099(9) 0.2595(6) 0.5077(8) 0.040(2) Uani 1 1 d . .
H30 H 0.8047 0.2239 0.5627 0.047 Uiso 1 1 calc R U
C31 C 0.8873(9) 0.2468(7) 0.4290(8) 0.042(2) Uani 1 1 d . .
H31 H 0.9344 0.2044 0.4312 0.050 Uiso 1 1 calc R U
C32 C 0.8927(8) 0.2987(7) 0.3473(8) 0.038(2) Uani 1 1 d . .
H32 H 0.9427 0.2916 0.2915 0.046 Uiso 1 1 calc R U
C33 C 0.8249(8) 0.3608(6) 0.3478(7) 0.0312(19) Uani 1 1 d . .
C34 C 0.7510(8) 0.3709(6) 0.4289(7) 0.0324(19) Uani 1 1 d . .
H34 H 0.7059 0.4140 0.4284 0.039 Uiso 1 1 calc R U
C35 C 0.5597(9) 0.1455(5) 0.6035(8) 0.038(2) Uani 1 1 d . .
C36 C 0.5425(15) 0.1123(7) 0.7149(10) 0.063(4) Uani 1 1 d . .
H36A H 0.4674 0.1287 0.7400 0.076 Uiso 1 1 calc R U
H36B H 0.6090 0.1248 0.7715 0.076 Uiso 1 1 calc R U
C37 C 0.539(2) 0.0310(9) 0.6909(13) 0.093(6) Uani 1 1 d . .
H37A H 0.5835 0.0042 0.7529 0.112 Uiso 1 1 calc R U
H37B H 0.4567 0.0134 0.6806 0.112 Uiso 1 1 calc R U
C38 C 0.5955(15) 0.0201(8) 0.5888(13) 0.071(4) Uani 1 1 d . .
H38A H 0.6790 0.0047 0.6058 0.086 Uiso 1 1 calc R U
H38B H 0.5520 -0.0164 0.5404 0.086 Uiso 1 1 calc R U
C39 C 0.617(3) 0.1027(11) 0.4253(16) 0.152(13) Uani 1 1 d . .
H39A H 0.5479 0.1221 0.3788 0.228 Uiso 1 1 calc R U
H39B H 0.6395 0.0564 0.3954 0.228 Uiso 1 1 calc R U
H39C H 0.6830 0.1367 0.4267 0.228 Uiso 1 1 calc R U
C40 C 0.3784(8) 0.3324(7) 0.4276(7) 0.0378(19) Uani 1 1 d . .
C41 C 0.4368(13) 0.2945(12) 0.3359(11) 0.088(6) Uani 1 1 d . .
H41A H 0.5028 0.3240 0.3145 0.105 Uiso 1 1 calc R U
H41B H 0.4685 0.2468 0.3615 0.105 Uiso 1 1 calc R U
C42 C 0.3422(15) 0.2856(17) 0.2399(13) 0.138(12) Uani 1 1 d . .
H42A H 0.3281 0.2338 0.2235 0.166 Uiso 1 1 calc R U
H42B H 0.3664 0.3093 0.1736 0.166 Uiso 1 1 calc R U
C43 C 0.2288(12) 0.3213(13) 0.2729(11) 0.091(6) Uani 1 1 d . .
H43A H 0.2046 0.3628 0.2244 0.109 Uiso 1 1 calc R U
H43B H 0.1628 0.2862 0.2686 0.109 Uiso 1 1 calc R U
C44 C 0.1794(11) 0.3799(9) 0.4537(12) 0.069(4) Uani 1 1 d . .
H44A H 0.2212 0.3951 0.5247 0.103 Uiso 1 1 calc R U
H44B H 0.1168 0.3456 0.4661 0.103 Uiso 1 1 calc R U
H44C H 0.1442 0.4222 0.4142 0.103 Uiso 1 1 calc R U
Cd1 Cd 0.60687(5) 0.32917(3) 0.64539(5) 0.03001(15) Uani 1 1 d . .
Cd2 Cd 0.90420(5) 0.16079(4) 0.87911(5) 0.03468(17) Uani 1 1 d . .
Cl1 Cl 0.7794(2) 0.27407(18) 0.7942(2) 0.0487(6) Uani 1 1 d . .
Cl2 Cl 0.6323(3) 0.46557(16) 0.6578(2) 0.0468(6) Uani 1 1 d . .
Cl3 Cl 1.0591(2) 0.2064(2) 1.0259(2) 0.0521(7) Uani 1 1 d . .
Cl4 Cl 0.8710(3) 0.02831(19) 0.8353(3) 0.0623(8) Uani 1 1 d . .
N1 N 0.4767(5) 0.3287(6) 0.7822(5) 0.0231(13) Uani 1 1 d . .
N2 N 1.0289(7) 0.1700(6) 0.7339(7) 0.0347(19) Uani 1 1 d . .
N3 N 0.7563(6) 0.1572(6) 1.0054(5) 0.0287(15) Uani 1 1 d . .
N4 N 0.7408(6) 0.3206(5) 0.5101(6) 0.0284(16) Uani 1 1 d . .
N5 N 0.5871(11) 0.0921(5) 0.5374(8) 0.056(3) Uani 1 1 d . .
N6 N 0.2629(8) 0.3454(7) 0.3881(7) 0.055(3) Uani 1 1 d . .
O1 O 0.2216(5) 0.4883(4) 0.7482(6) 0.0364(15) Uani 1 1 d . .
O2 O 0.0943(5) 0.4073(4) 0.8281(5) 0.0326(14) Uani 1 1 d . .
O3 O -0.0258(6) 0.5191(4) 0.5188(5) 0.0374(15) Uani 1 1 d . .
O4 O -0.0898(6) 0.6172(4) 0.6235(5) 0.0321(13) Uani 1 1 d . .
O5 O 0.3697(6) 0.0884(4) 1.0457(6) 0.0369(15) Uani 1 1 d . .
O6 O 0.4955(6) 0.0017(4) 0.9755(5) 0.0358(14) Uani 1 1 d . .
O7 O 0.2598(6) -0.0305(4) 0.7402(5) 0.0368(15) Uani 1 1 d . .
O8 O 0.1844(6) -0.1224(4) 0.8469(5) 0.0356(15) Uani 1 1 d . .
O9 O 0.5542(9) 0.2099(5) 0.5788(7) 0.059(2) Uani 1 1 d . .
O10 O 0.4253(7) 0.3493(4) 0.5213(6) 0.0483(18) Uani 1 1 d . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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_3
N1 C1 C2 124.1(9) .
C3 C2 C1 118.1(10) .
C4 C3 C2 119.7(9) .
C3 C4 C5 119.1(9) .
C3 C4 C6 120.7(8) .
C5 C4 C6 120.2(8) .
N1 C5 C4 122.7(8) .
O2 C6 O1 112.3(7) .
O2 C6 C4 106.5(8) .
O1 C6 C4 109.7(7) .
O2 C7 C8 110.6(7) .
C7 C8 C9 107.8(7) .
C7 C8 C11 109.8(8) .
C9 C8 C11 112.0(8) .
C7 C8 C10 111.5(7) .
C9 C8 C10 109.0(8) .
C11 C8 C10 106.9(7) .
O1 C9 C8 110.7(8) .
O4 C10 C8 110.6(6) .
O3 C11 C8 111.3(8) .
O3 C12 O4 111.6(7) .
O3 C12 C14 109.0(7) 2_656
O4 C12 C14 105.9(8) 2_656
N2 C13 C14 124.1(9) .
C13 C14 C15 117.8(9) .
C13 C14 C12 124.0(8) 2_646
C15 C14 C12 118.1(9) 2_646
C16 C15 C14 117.6(10) .
C17 C16 C15 120.5(11) .
N2 C17 C16 123.7(11) .
N3 C18 C19 123.9(10) .
C20 C19 C18 118.5(10) .
C19 C20 C21 119.7(9) .
C22 C21 C20 117.2(9) .
C22 C21 C23 123.6(9) .
C20 C21 C23 119.1(8) .
N3 C22 C21 124.3(9) .
O5 C23 O6 112.3(7) .
O5 C23 C21 107.4(8) .
O6 C23 C21 107.8(7) .
O5 C24 C25 111.1(7) .
C27 C25 C29 107.4(8) .
C27 C25 C26 111.0(8) .
C29 C25 C26 111.2(8) .
C27 C25 C24 111.1(7) .
C29 C25 C24 109.2(8) .
C26 C25 C24 107.0(8) .
O6 C26 C25 111.7(8) .
O8 C27 C25 109.6(7) .
O7 C28 O8 111.3(7) .
O7 C28 C33 108.3(7) 2_646
O8 C28 C33 105.7(8) 2_646
O7 C29 C25 110.2(8) .
N4 C30 C31 124.0(9) .
C32 C31 C30 117.6(10) .
C33 C32 C31 119.8(9) .
C32 C33 C34 120.0(9) .
C32 C33 C28 118.4(8) 2_656
C34 C33 C28 121.5(9) 2_656
N4 C34 C33 122.4(9) .
O9 C35 N5 125.2(10) .
O9 C35 C36 126.9(10) .
N5 C35 C36 107.8(9) .
C35 C36 C37 103.1(9) .
C38 C37 C36 107.0(11) .
N5 C38 C37 102.9(11) .
O10 C40 N6 124.6(9) .
O10 C40 C41 127.7(9) .
N6 C40 C41 107.7(9) .
C42 C41 C40 106.7(10) .
C41 C42 C43 106.9(11) .
N6 C43 C42 104.2(10) .
N1 Cd1 N4 175.9(4) .
N1 Cd1 O9 94.9(3) .
N4 Cd1 O9 81.8(3) .
N1 Cd1 O10 83.4(2) .
N4 Cd1 O10 98.2(3) .
O9 Cd1 O10 76.8(3) .
N1 Cd1 Cl2 92.1(3) .
N4 Cd1 Cl2 91.7(2) .
O9 Cd1 Cl2 162.5(2) .
O10 Cd1 Cl2 88.1(2) .
N1 Cd1 Cl1 89.34(18) .
N4 Cd1 Cl1 88.24(18) .
O9 Cd1 Cl1 90.7(2) .
O10 Cd1 Cl1 164.9(2) .
Cl2 Cd1 Cl1 105.41(11) .
N2 Cd2 N3 171.8(3) .
N2 Cd2 Cl3 94.5(2) .
N3 Cd2 Cl3 92.03(19) .
N2 Cd2 Cl4 89.9(3) .
N3 Cd2 Cl4 90.6(3) .
Cl3 Cd2 Cl4 123.55(13) .
N2 Cd2 Cl1 89.5(3) .
N3 Cd2 Cl1 83.8(2) .
Cl3 Cd2 Cl1 107.96(12) .
Cl4 Cd2 Cl1 128.36(12) .
Cd2 Cl1 Cd1 149.81(14) .
C1 N1 C5 116.2(7) .
C1 N1 Cd1 125.1(7) .
C5 N1 Cd1 118.4(6) .
C17 N2 C13 115.9(8) .
C17 N2 Cd2 118.3(7) .
C13 N2 Cd2 125.7(7) .
C18 N3 C22 116.4(8) .
C18 N3 Cd2 118.9(7) .
C22 N3 Cd2 124.4(6) .
C34 N4 C30 116.2(8) .
C34 N4 Cd1 124.9(7) .
C30 N4 Cd1 118.9(6) .
C35 N5 C39 124.3(12) .
C35 N5 C38 114.8(10) .
C39 N5 C38 120.7(12) .
C40 N6 C44 122.9(9) .
C40 N6 C43 114.4(9) .
C44 N6 C43 122.7(10) .
C6 O1 C9 110.0(7) .
C6 O2 C7 111.1(7) .
C12 O3 C11 110.0(6) .
C12 O4 C10 111.1(7) .
C23 O5 C24 110.9(8) .
C26 O6 C23 111.1(7) .
C28 O7 C29 109.8(7) .
C28 O8 C27 111.5(8) .
C35 O9 Cd1 143.5(8) .
C40 O10 Cd1 140.4(7) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.341(14) .
C1 C2 1.379(13) .
C2 C3 1.377(17) .
C3 C4 1.363(15) .
C4 C5 1.383(12) .
C4 C6 1.514(13) .
C5 N1 1.363(13) .
C6 O2 1.400(10) .
C6 O1 1.402(11) .
C7 O2 1.418(11) .
C7 C8 1.502(12) .
C8 C9 1.519(13) .
C8 C11 1.523(12) .
C8 C10 1.540(13) .
C9 O1 1.430(12) .
C10 O4 1.439(11) .
C11 O3 1.445(11) .
C12 O3 1.410(11) .
C12 O4 1.420(10) .
C12 C14 1.487(13) 2_656
C13 N2 1.358(13) .
C13 C14 1.381(13) .
C14 C15 1.401(15) .
C14 C12 1.487(13) 2_646
C15 C16 1.382(17) .
C16 C17 1.352(16) .
C17 N2 1.337(15) .
C18 N3 1.329(14) .
C18 C19 1.364(15) .
C19 C20 1.361(16) .
C20 C21 1.392(15) .
C21 C22 1.361(12) .
C21 C23 1.505(14) .
C22 N3 1.343(13) .
C23 O5 1.399(11) .
C23 O6 1.410(11) .
C24 O5 1.426(12) .
C24 C25 1.531(13) .
C25 C27 1.500(13) .
C25 C29 1.518(12) .
C25 C26 1.528(13) .
C26 O6 1.409(12) .
C27 O8 1.436(11) .
C28 O7 1.401(12) .
C28 O8 1.409(11) .
C28 C33 1.530(14) 2_646
C29 O7 1.442(11) .
C30 N4 1.354(14) .
C30 C31 1.373(14) .
C31 C32 1.365(16) .
C32 C33 1.358(15) .
C33 C34 1.360(12) .
C33 C28 1.530(14) 2_656
C34 N4 1.350(12) .
C35 O9 1.206(13) .
C35 N5 1.311(14) .
C35 C36 1.499(15) .
C36 C37 1.50(2) .
C37 C38 1.45(2) .
C38 N5 1.444(17) .
C39 N5 1.435(17) .
C40 O10 1.219(11) .
C40 N6 1.339(12) .
C40 C41 1.509(16) .
C41 C42 1.47(2) .
C42 C43 1.52(2) .
C43 N6 1.454(14) .
C44 N6 1.434(15) .
Cd1 N1 2.317(6) .
Cd1 N4 2.338(7) .
Cd1 O9 2.358(8) .
Cd1 O10 2.392(7) .
Cd1 Cl2 2.495(3) .
Cd1 Cl1 2.656(3) .
Cd2 N2 2.362(8) .
Cd2 N3 2.370(7) .
Cd2 Cl3 2.456(3) .
Cd2 Cl4 2.481(4) .
Cd2 Cl1 2.619(3) .
