#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:57:54 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179548 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/17/4501782.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_4501782
loop_
_publ_author_name
'Cui, Ping'
'Chen, Zhi'
'Gao, Dongliang'
'Zhao, Bin'
'Shi, Wei'
'Cheng, Peng'
_publ_section_title
;
 Syntheses, Structures, and Photoluminescence of a Series of
 Three-Dimensional Cd(II) Frameworks with a Flexible Ligand,
 1,5-Bis(5-tetrazolo)-3-oxapentane
;
_journal_issue                   10
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4370
_journal_paper_doi               10.1021/cg100467p
_journal_volume                  10
_journal_year                    2010
_chemical_formula_sum            'C12 H16 Cd5 Cl2 N28 O2'
_chemical_formula_weight         1217.43
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.17(3)
_cell_angle_beta                 107.53(3)
_cell_angle_gamma                109.10(3)
_cell_formula_units_Z            1
_cell_length_a                   8.0489(16)
_cell_length_b                   8.4254(17)
_cell_length_c                   13.213(5)
_cell_measurement_reflns_used    2498
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.8924
_cell_measurement_theta_min      3.0822
_cell_volume                     795.5(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'Rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0215
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6359
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.85
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.522
_exptl_absorpt_correction_T_max  0.5393
_exptl_absorpt_correction_T_min  0.3332
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             574
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.838
_refine_diff_density_min         -0.786
_refine_diff_density_rms         0.122
_refine_ls_extinction_coef       0.0106(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     224
_refine_ls_number_reflns         2717
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0273
_refine_ls_R_factor_gt           0.0240
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0284P)²+2.8639P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0631
_refine_ls_wR_factor_ref         0.0642
_reflns_number_gt                2405
_reflns_number_total             2717
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg100467p_si_002.cif
_cod_data_source_block           2
_cod_original_cell_volume        795.5(4)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               4501782
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cd1 Cd 1.0000 1.0000 1.0000 0.01090(14) Uani 1 2 d S
Cd2 Cd 1.50390(4) 0.69689(4) 0.89460(2) 0.01012(12) Uani 1 1 d .
Cd3 Cd 1.04500(4) 0.49963(4) 0.64354(2) 0.01143(12) Uani 1 1 d .
C1 C 0.7300(6) 0.5379(6) 0.7571(4) 0.0158(10) Uani 1 1 d .
C2 C 0.5642(7) 0.3878(7) 0.6899(4) 0.0243(11) Uani 1 1 d .
H2A H 0.4580 0.4237 0.6653 0.029 Uiso 1 1 calc R
H2B H 0.5357 0.3030 0.7350 0.029 Uiso 1 1 calc R
C3 C 0.5861(7) 0.3058(7) 0.5939(4) 0.0253(11) Uani 1 1 d .
H3A H 0.4742 0.2064 0.5584 0.030 Uiso 1 1 calc R
H3B H 0.5965 0.3850 0.5437 0.030 Uiso 1 1 calc R
C4 C 0.7198(7) 0.1052(7) 0.6681(5) 0.0299(13) Uani 1 1 d .
H4A H 0.6157 0.0099 0.6192 0.036 Uiso 1 1 calc R
H4B H 0.6910 0.1251 0.7328 0.036 Uiso 1 1 calc R
C5 C 0.8953(7) 0.0634(6) 0.6965(4) 0.0225(11) Uani 1 1 d .
H5A H 0.8695 -0.0470 0.7192 0.027 Uiso 1 1 calc R
H5B H 0.9294 0.0551 0.6325 0.027 Uiso 1 1 calc R
C6 C 1.0579(6) 0.1926(6) 0.7841(4) 0.0145(9) Uani 1 1 d .
Cl1 Cl 0.89640(18) 0.66138(17) 0.50365(9) 0.0265(3) Uani 1 1 d .
N1 N 0.9041(5) 0.5827(5) 0.7550(3) 0.0144(8) Uani 1 1 d .
N2 N 1.0086(5) 0.7215(5) 0.8301(3) 0.0165(8) Uani 1 1 d .
N3 N 0.9001(5) 0.7587(5) 0.8754(3) 0.0146(8) Uani 1 1 d .
N4 N 0.7244(5) 0.6467(5) 0.8320(3) 0.0139(8) Uani 1 1 d .
N5 N 1.1595(5) 0.3437(5) 0.7702(3) 0.0133(8) Uani 1 1 d .
N6 N 1.2942(5) 0.4167(5) 0.8664(3) 0.0107(7) Uani 1 1 d .
N7 N 1.2731(5) 0.3136(5) 0.9349(3) 0.0122(8) Uani 1 1 d .
N8 N 1.1234(5) 0.1711(5) 0.8857(3) 0.0131(8) Uani 1 1 d .
N9 N 1.3279(6) 0.7284(5) 0.7277(3) 0.0213(7) Uani 1 1 d U
N10 N 1.3122(6) 0.8617(6) 0.7243(3) 0.0247(7) Uani 1 1 d U
N11 N 1.3034(7) 0.9951(6) 0.7147(4) 0.0336(9) Uani 1 1 d U
N12 N 0.6943(5) 0.9949(5) 0.9248(3) 0.0150(8) Uani 1 1 d .
N13 N 0.6539(5) 1.1104(5) 0.9516(3) 0.0149(8) Uani 1 1 d .
N14 N 0.6164(6) 1.2251(5) 0.9744(3) 0.0222(9) Uani 1 1 d .
O1 O 0.7458(4) 0.2540(4) 0.6186(3) 0.0188(7) 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'
Cd Cd -0.8075 1.2024 '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'
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
N3 Cd1 N3 180.000(1) 2_777 .
N3 Cd1 N12 95.09(14) 2_777 .
N3 Cd1 N12 84.91(14) . .
N3 Cd1 N12 84.91(14) 2_777 2_777
N3 Cd1 N12 95.09(14) . 2_777
N12 Cd1 N12 180.000(1) . 2_777
N3 Cd1 N8 91.22(13) 2_777 2_767
N3 Cd1 N8 88.78(13) . 2_767
N12 Cd1 N8 84.02(13) . 2_767
N12 Cd1 N8 95.98(13) 2_777 2_767
N3 Cd1 N8 88.78(14) 2_777 1_565
N3 Cd1 N8 91.22(13) . 1_565
N12 Cd1 N8 95.98(13) . 1_565
N12 Cd1 N8 84.02(13) 2_777 1_565
N8 Cd1 N8 180.000(1) 2_767 1_565
N4 Cd2 N9 93.92(14) 1_655 .
N4 Cd2 N6 99.47(13) 1_655 .
N9 Cd2 N6 89.21(14) . .
N4 Cd2 N14 156.26(14) 1_655 2_777
N9 Cd2 N14 108.30(14) . 2_777
N6 Cd2 N14 89.33(14) . 2_777
N4 Cd2 N12 86.14(13) 1_655 1_655
N9 Cd2 N12 88.61(14) . 1_655
N6 Cd2 N12 174.11(12) . 1_655
N14 Cd2 N12 86.16(14) 2_777 1_655
N4 Cd2 N7 80.32(13) 1_655 2_867
N9 Cd2 N7 172.24(14) . 2_867
N6 Cd2 N7 96.84(12) . 2_867
N14 Cd2 N7 76.75(14) 2_777 2_867
N12 Cd2 N7 85.83(13) 1_655 2_867
N1 Cd3 N5 89.92(13) . .
N1 Cd3 N9 92.45(14) . .
N5 Cd3 N9 87.19(14) . .
N1 Cd3 O1 72.91(12) . .
N5 Cd3 O1 80.17(12) . .
N9 Cd3 O1 160.52(13) . .
N1 Cd3 Cl1 162.81(10) . 2_766
N5 Cd3 Cl1 91.34(10) . 2_766
N9 Cd3 Cl1 104.73(11) . 2_766
O1 Cd3 Cl1 90.42(9) . 2_766
N1 Cd3 Cl1 87.83(10) . .
N5 Cd3 Cl1 176.22(10) . .
N9 Cd3 Cl1 95.95(11) . .
O1 Cd3 Cl1 96.26(9) . .
Cl1 Cd3 Cl1 89.91(5) 2_766 .
N4 C1 N1 109.6(4) . .
N4 C1 C2 123.5(4) . .
N1 C1 C2 126.9(4) . .
C1 C2 C3 115.3(4) . .
C1 C2 H2A 108.5 . .
C3 C2 H2A 108.5 . .
C1 C2 H2B 108.5 . .
C3 C2 H2B 108.5 . .
H2A C2 H2B 107.5 . .
O1 C3 C2 114.3(4) . .
O1 C3 H3A 108.7 . .
C2 C3 H3A 108.7 . .
O1 C3 H3B 108.7 . .
C2 C3 H3B 108.7 . .
H3A C3 H3B 107.6 . .
O1 C4 C5 109.7(4) . .
O1 C4 H4A 109.7 . .
C5 C4 H4A 109.7 . .
O1 C4 H4B 109.7 . .
C5 C4 H4B 109.7 . .
H4A C4 H4B 108.2 . .
C6 C5 C4 113.6(4) . .
C6 C5 H5A 108.9 . .
C4 C5 H5A 108.9 . .
C6 C5 H5B 108.9 . .
C4 C5 H5B 108.9 . .
H5A C5 H5B 107.7 . .
N5 C6 N8 110.3(4) . .
N5 C6 C5 124.4(4) . .
N8 C6 C5 125.2(4) . .
Cd3 Cl1 Cd3 90.09(5) 2_766 .
N2 N1 C1 107.0(4) . .
N2 N1 Cd3 116.9(3) . .
C1 N1 Cd3 135.5(3) . .
N3 N2 N1 107.6(4) . .
N2 N3 N4 110.7(3) . .
N2 N3 Cd1 122.7(3) . .
N4 N3 Cd1 126.3(3) . .
C1 N4 N3 105.0(4) . .
C1 N4 Cd2 138.3(3) . 1_455
N3 N4 Cd2 116.6(3) . 1_455
C6 N5 N6 105.7(3) . .
C6 N5 Cd3 124.3(3) . .
N6 N5 Cd3 123.4(3) . .
N7 N6 N5 109.2(3) . .
N7 N6 Cd2 129.5(3) . .
N5 N6 Cd2 121.1(3) . .
N6 N7 N8 109.2(3) . .
N6 N7 Cd2 130.3(3) . 2_867
N8 N7 Cd2 117.8(3) . 2_867
C6 N8 N7 105.6(4) . .
C6 N8 Cd1 135.5(3) . 1_545
N7 N8 Cd1 116.0(3) . 1_545
N10 N9 Cd2 114.8(3) . .
N10 N9 Cd3 113.1(3) . .
Cd2 N9 Cd3 114.61(18) . .
N11 N10 N9 174.4(5) . .
N13 N12 Cd1 120.2(3) . .
N13 N12 Cd2 125.6(3) . 1_455
Cd1 N12 Cd2 103.69(15) . 1_455
N14 N13 N12 177.4(5) . .
N13 N14 Cd2 135.6(4) . 2_777
C4 O1 C3 112.6(4) . .
C4 O1 Cd3 128.7(3) . .
C3 O1 Cd3 112.3(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N3 2.292(4) 2_777
Cd1 N3 2.292(4) .
Cd1 N12 2.344(4) .
Cd1 N12 2.344(4) 2_777
Cd1 N8 2.356(4) 2_767
Cd1 N8 2.356(4) 1_565
Cd2 N4 2.313(4) 1_655
Cd2 N9 2.318(4) .
Cd2 N6 2.340(4) .
Cd2 N14 2.380(4) 2_777
Cd2 N12 2.412(4) 1_655
Cd2 N7 2.448(4) 2_867
Cd3 N1 2.315(4) .
Cd3 N5 2.341(4) .
Cd3 N9 2.345(4) .
Cd3 O1 2.525(3) .
Cd3 Cl1 2.5543(15) 2_766
Cd3 Cl1 2.5918(15) .
C1 N4 1.332(6) .
C1 N1 1.336(6) .
C1 C2 1.492(7) .
C2 C3 1.494(7) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 O1 1.442(6) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 O1 1.430(6) .
C4 C5 1.511(7) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.501(6) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 N5 1.326(6) .
C6 N8 1.334(6) .
Cl1 Cd3 2.5543(15) 2_766
N1 N2 1.336(5) .
N2 N3 1.301(5) .
N3 N4 1.341(5) .
N4 Cd2 2.313(4) 1_455
N5 N6 1.348(5) .
N6 N7 1.298(5) .
N7 N8 1.346(5) .
N7 Cd2 2.448(4) 2_867
N8 Cd1 2.356(4) 1_545
N9 N10 1.172(6) .
N10 N11 1.161(6) .
N12 N13 1.191(5) .
N12 Cd2 2.412(4) 1_455
N13 N14 1.152(6) .
N14 Cd2 2.380(4) 2_777
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_4
N4 C1 C2 C3 166.2(4) . .
N1 C1 C2 C3 -15.7(7) . .
C1 C2 C3 O1 55.2(6) . .
O1 C4 C5 C6 67.7(6) . .
C4 C5 C6 N5 -76.5(6) . .
C4 C5 C6 N8 105.1(5) . .
N1 Cd3 Cl1 Cd3 -162.96(10) . 2_766
N5 Cd3 Cl1 Cd3 -109.3(14) . 2_766
N9 Cd3 Cl1 Cd3 104.80(11) . 2_766
O1 Cd3 Cl1 Cd3 -90.42(9) . 2_766
Cl1 Cd3 Cl1 Cd3 0.0 2_766 2_766
N4 C1 N1 N2 0.1(5) . .
C2 C1 N1 N2 -178.2(4) . .
N4 C1 N1 Cd3 -170.7(3) . .
C2 C1 N1 Cd3 10.9(7) . .
N5 Cd3 N1 N2 86.5(3) . .
N9 Cd3 N1 N2 -0.7(3) . .
O1 Cd3 N1 N2 166.2(3) . .
Cl1 Cd3 N1 N2 -179.2(2) 2_766 .
Cl1 Cd3 N1 N2 -96.6(3) . .
N5 Cd3 N1 C1 -103.3(4) . .
N9 Cd3 N1 C1 169.5(4) . .
O1 Cd3 N1 C1 -23.6(4) . .
Cl1 Cd3 N1 C1 -9.1(7) 2_766 .
Cl1 Cd3 N1 C1 73.6(4) . .
C1 N1 N2 N3 -0.2(5) . .
Cd3 N1 N2 N3 172.6(3) . .
N1 N2 N3 N4 0.2(5) . .
N1 N2 N3 Cd1 -174.3(3) . .
N3 Cd1 N3 N2 170(100) 2_777 .
N12 Cd1 N3 N2 146.3(3) . .
N12 Cd1 N3 N2 -33.7(3) 2_777 .
N8 Cd1 N3 N2 -129.6(3) 2_767 .
N8 Cd1 N3 N2 50.4(3) 1_565 .
N3 Cd1 N3 N4 -4(100) 2_777 .
N12 Cd1 N3 N4 -27.2(3) . .
N12 Cd1 N3 N4 152.8(3) 2_777 .
N8 Cd1 N3 N4 56.9(3) 2_767 .
N8 Cd1 N3 N4 -123.1(3) 1_565 .
N1 C1 N4 N3 0.0(5) . .
C2 C1 N4 N3 178.4(4) . .
N1 C1 N4 Cd2 175.7(3) . 1_455
C2 C1 N4 Cd2 -5.9(7) . 1_455
N2 N3 N4 C1 -0.1(5) . .
Cd1 N3 N4 C1 174.1(3) . .
N2 N3 N4 Cd2 -176.9(3) . 1_455
Cd1 N3 N4 Cd2 -2.7(4) . 1_455
N8 C6 N5 N6 0.9(5) . .
C5 C6 N5 N6 -177.7(4) . .
N8 C6 N5 Cd3 -151.1(3) . .
C5 C6 N5 Cd3 30.3(6) . .
N1 Cd3 N5 C6 77.7(4) . .
N9 Cd3 N5 C6 170.1(4) . .
O1 Cd3 N5 C6 5.0(3) . .
Cl1 Cd3 N5 C6 -85.2(4) 2_766 .
Cl1 Cd3 N5 C6 24.1(17) . .
N1 Cd3 N5 N6 -69.7(3) . .
N9 Cd3 N5 N6 22.8(3) . .
O1 Cd3 N5 N6 -142.3(3) . .
Cl1 Cd3 N5 N6 127.5(3) 2_766 .
Cl1 Cd3 N5 N6 -123.2(13) . .
C6 N5 N6 N7 -0.3(5) . .
Cd3 N5 N6 N7 152.1(3) . .
C6 N5 N6 Cd2 -175.2(3) . .
Cd3 N5 N6 Cd2 -22.7(4) . .
N4 Cd2 N6 N7 100.9(4) 1_655 .
N9 Cd2 N6 N7 -165.3(4) . .
N14 Cd2 N6 N7 -57.0(4) 2_777 .
N12 Cd2 N6 N7 -97.0(12) 1_655 .
N7 Cd2 N6 N7 19.6(4) 2_867 .
N4 Cd2 N6 N5 -85.4(3) 1_655 .
N9 Cd2 N6 N5 8.4(3) . .
N14 Cd2 N6 N5 116.8(3) 2_777 .
N12 Cd2 N6 N5 76.7(12) 1_655 .
N7 Cd2 N6 N5 -166.7(3) 2_867 .
N5 N6 N7 N8 -0.5(5) . .
Cd2 N6 N7 N8 173.8(3) . .
N5 N6 N7 Cd2 159.8(3) . 2_867
Cd2 N6 N7 Cd2 -25.9(5) . 2_867
N5 C6 N8 N7 -1.2(5) . .
C5 C6 N8 N7 177.4(4) . .
N5 C6 N8 Cd1 157.5(3) . 1_545
C5 C6 N8 Cd1 -23.9(7) . 1_545
N6 N7 N8 C6 1.0(5) . .
Cd2 N7 N8 C6 -162.1(3) 2_867 .
N6 N7 N8 Cd1 -162.5(3) . 1_545
Cd2 N7 N8 Cd1 34.4(4) 2_867 1_545
N4 Cd2 N9 N10 -119.6(4) 1_655 .
N6 Cd2 N9 N10 141.0(4) . .
N14 Cd2 N9 N10 51.9(4) 2_777 .
N12 Cd2 N9 N10 -33.5(4) 1_655 .
N7 Cd2 N9 N10 -77.7(11) 2_867 .
N4 Cd2 N9 Cd3 106.96(18) 1_655 .
N6 Cd2 N9 Cd3 7.52(18) . .
N14 Cd2 N9 Cd3 -81.5(2) 2_777 .
N12 Cd2 N9 Cd3 -167.01(18) 1_655 .
N7 Cd2 N9 Cd3 148.8(9) 2_867 .
N1 Cd3 N9 N10 -58.4(4) . .
N5 Cd3 N9 N10 -148.2(4) . .
O1 Cd3 N9 N10 -98.8(5) . .
Cl1 Cd3 N9 N10 121.2(4) 2_766 .
Cl1 Cd3 N9 N10 29.7(4) . .
N1 Cd3 N9 Cd2 75.86(18) . .
N5 Cd3 N9 Cd2 -13.94(18) . .
O1 Cd3 N9 Cd2 35.4(5) . .
Cl1 Cd3 N9 Cd2 -104.59(16) 2_766 .
Cl1 Cd3 N9 Cd2 163.94(15) . .
Cd2 N9 N10 N11 121(5) . .
Cd3 N9 N10 N11 -105(5) . .
N3 Cd1 N12 N13 7.1(4) 2_777 .
N3 Cd1 N12 N13 -172.9(4) . .
N12 Cd1 N12 N13 -94(100) 2_777 .
N8 Cd1 N12 N13 97.8(4) 2_767 .
N8 Cd1 N12 N13 -82.2(4) 1_565 .
N3 Cd1 N12 Cd2 -139.50(15) 2_777 1_455
N3 Cd1 N12 Cd2 40.50(15) . 1_455
N12 Cd1 N12 Cd2 120(100) 2_777 1_455
N8 Cd1 N12 Cd2 -48.80(14) 2_767 1_455
N8 Cd1 N12 Cd2 131.20(15) 1_565 1_455
Cd1 N12 N13 N14 91(10) . .
Cd2 N12 N13 N14 -130(10) 1_455 .
N12 N13 N14 Cd2 177(100) . 2_777
C5 C4 O1 C3 -177.3(4) . .
C5 C4 O1 Cd3 -27.9(6) . .
C2 C3 O1 C4 74.1(5) . .
C2 C3 O1 Cd3 -80.4(5) . .
N1 Cd3 O1 C4 -97.2(4) . .
N5 Cd3 O1 C4 -4.2(4) . .
N9 Cd3 O1 C4 -54.4(6) . .
Cl1 Cd3 O1 C4 87.1(4) 2_766 .
Cl1 Cd3 O1 C4 177.1(4) . .
N1 Cd3 O1 C3 52.3(3) . .
N5 Cd3 O1 C3 145.3(3) . .
N9 Cd3 O1 C3 95.0(4) . .
Cl1 Cd3 O1 C3 -123.4(3) 2_766 .
Cl1 Cd3 O1 C3 -33.5(3) . .
