#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:46:15 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179595 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/59/4505983.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_4505983
loop_
_publ_author_name
'Yu, Zhi-Quan'
'Pan, Mei'
'Jiang, Ji-Jun'
'Liu, Zhi-Min'
'Su, Cheng-Yong'
_publ_section_title
;
 Anion Modulated Structural Diversification in the Assembly of Cd(II)
 Complexes Based on a Balance-like Dipodal Ligand
;
_journal_issue                   5
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2389
_journal_paper_doi               10.1021/cg300051w
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C48 H48 Cd2 N12 O24'
_chemical_formula_weight         1401.78
_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                107.940(12)
_cell_angle_beta                 103.901(15)
_cell_angle_gamma                93.989(15)
_cell_formula_units_Z            1
_cell_length_a                   7.3783(17)
_cell_length_b                   13.0129(19)
_cell_length_c                   14.9959(18)
_cell_measurement_reflns_used    7600
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.6731
_cell_measurement_theta_min      2.8482
_cell_volume                     1313.5(4)
_computing_cell_refinement       CrysAlisPro
_computing_data_collection       CrysAlisPro
_computing_data_reduction        CrysAlisPro
_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      150(2)
_diffrn_detector_area_resol_mean 16.0855
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_sigmaI/netI    0.0461
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12968
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.88
_exptl_absorpt_coefficient_mu    0.910
_exptl_absorpt_correction_T_max  0.9145
_exptl_absorpt_correction_T_min  0.8389
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.772
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             708
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.126
_refine_diff_density_min         -0.816
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         5144
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0456
_refine_ls_R_factor_gt           0.0360
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0589P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0934
_refine_ls_wR_factor_ref         0.0968
_reflns_number_gt                4077
_reflns_number_total             5144
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300051w_si_002.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               4505983
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 0.95631(3) -0.19131(2) 0.206864(17) 0.02163(10) Uani 1 1 d U
N1 N 0.8383(3) -0.35888(12) 0.08611(11) 0.0205(6) Uani 1 1 d G
C1 C 0.7764(3) -0.35965(12) -0.00929(13) 0.0221(7) Uani 1 1 d G
H1A H 0.7730 -0.2926 -0.0221 0.026 Uiso 1 1 calc R
C2 C 0.7195(3) -0.45845(15) -0.08588(10) 0.0173(7) Uani 1 1 d G
C3 C 0.7246(3) -0.55650(12) -0.06707(12) 0.0213(7) Uani 1 1 d G
H3A H 0.6857 -0.6240 -0.1194 0.026 Uiso 1 1 calc R
C4 C 0.7864(3) -0.55574(12) 0.02833(14) 0.0242(8) Uani 1 1 d G
H4A H 0.7899 -0.6228 0.0412 0.029 Uiso 1 1 calc R
C5 C 0.8433(3) -0.45693(16) 0.10493(10) 0.0230(8) Uani 1 1 d G
H5A H 0.8856 -0.4564 0.1701 0.028 Uiso 1 1 calc R
C6 C 0.7487(5) -0.3834(3) -0.2163(2) 0.0201(7) Uani 1 1 d .
C7 C 0.6244(5) -0.3895(3) -0.3146(2) 0.0194(7) Uani 1 1 d .
H7A H 0.6925 -0.4125 -0.3659 0.023 Uiso 1 1 calc R
C8 C 0.4529(4) -0.4754(2) -0.3351(2) 0.0165(7) Uani 1 1 d .
H8A H 0.4401 -0.5367 -0.3972 0.020 Uiso 1 1 calc R
C9 C 0.4928(4) -0.5165(3) -0.2495(2) 0.0184(7) Uani 1 1 d .
C10 C 0.5585(4) -0.2774(3) -0.3093(2) 0.0170(7) Uani 1 1 d .
H10A H 0.6677 -0.2187 -0.2937 0.020 Uiso 1 1 calc R
C11 C 0.4491(5) -0.2502(3) -0.2341(2) 0.0203(7) Uani 1 1 d .
H11A H 0.4833 -0.1846 -0.1795 0.024 Uiso 1 1 calc R
C12 C 0.3033(5) -0.3237(3) -0.2494(2) 0.0191(7) Uani 1 1 d .
H12A H 0.2248 -0.3156 -0.2067 0.023 Uiso 1 1 calc R
C13 C 0.2706(5) -0.4223(3) -0.3407(2) 0.0188(7) Uani 1 1 d .
H13A H 0.1583 -0.4757 -0.3492 0.023 Uiso 1 1 calc R
C14 C 0.0779(5) -0.3230(3) -0.4399(2) 0.0179(7) Uani 1 1 d .
C15 C 0.2482(4) -0.3817(3) -0.4289(2) 0.0185(7) Uani 1 1 d .
H15A H 0.2361 -0.4442 -0.4900 0.022 Uiso 1 1 calc R
C16 C 0.4193(4) -0.2950(3) -0.4098(2) 0.0177(7) Uani 1 1 d .
H16A H 0.4843 -0.3186 -0.4624 0.021 Uiso 1 1 calc R
C17 C 0.3378(5) -0.1920(3) -0.4118(2) 0.0201(7) Uani 1 1 d .
N4 N -0.0516(3) 0.03633(13) -0.33776(11) 0.0176(6) Uani 1 1 d G
C18 C 0.0651(2) -0.04352(15) -0.34466(12) 0.0190(7) Uani 1 1 d G
H18A H 0.1750 -0.0346 -0.2929 0.023 Uiso 1 1 calc R
C19 C 0.0209(3) -0.13645(14) -0.42729(14) 0.0175(7) Uani 1 1 d G
C20 C -0.1399(3) -0.14954(14) -0.50302(12) 0.0215(7) Uani 1 1 d G
H20A H -0.1701 -0.2131 -0.5595 0.026 Uiso 1 1 calc R
C21 C -0.2566(2) -0.06970(17) -0.49612(13) 0.0225(8) Uani 1 1 d G
H21A H -0.3665 -0.0786 -0.5479 0.027 Uiso 1 1 calc R
C22 C -0.2124(3) 0.02324(14) -0.41350(14) 0.0229(8) Uani 1 1 d G
H22A H -0.2921 0.0778 -0.4088 0.027 Uiso 1 1 calc R
C23 C 0.9154(7) 0.0673(4) 0.1159(4) 0.0545(13) Uani 1 1 d .
H23A H 0.9309 0.1091 0.0732 0.082 Uiso 1 1 calc R
H23B H 1.0386 0.0511 0.1457 0.082 Uiso 1 1 calc R
H23C H 0.8630 0.1102 0.1671 0.082 Uiso 1 1 calc R
C24 C 0.7843(6) -0.0372(4) 0.0574(3) 0.0411(10) Uani 1 1 d .
H24A H 0.6608 -0.0205 0.0264 0.049 Uiso 1 1 calc R
H24B H 0.8365 -0.0796 0.0050 0.049 Uiso 1 1 calc R
N2 N 0.6566(4) -0.4543(2) -0.18116(19) 0.0183(6) Uani 1 1 d .
N3 N 0.1413(4) -0.2155(2) -0.42865(19) 0.0168(6) Uani 1 1 d .
N5 N 1.1795(4) -0.3094(2) 0.3214(2) 0.0249(7) Uani 1 1 d .
N6 N 1.2875(4) -0.1435(3) 0.1170(2) 0.0319(8) Uani 1 1 d .
O1 O 0.9012(3) -0.3271(2) -0.17215(17) 0.0286(6) Uani 1 1 d .
O2 O 0.3965(3) -0.58744(19) -0.23780(17) 0.0243(5) Uani 1 1 d .
O3 O 0.4207(3) -0.1040(2) -0.39946(19) 0.0284(6) Uani 1 1 d .
O4 O -0.0847(3) -0.36039(19) -0.45354(17) 0.0244(5) Uani 1 1 d .
O5 O 1.0149(4) -0.2963(2) 0.32560(18) 0.0323(6) Uani 1 1 d U
O6 O 1.2463(4) -0.2660(2) 0.26875(19) 0.0356(6) Uani 1 1 d U
O7 O 1.2681(4) -0.3625(3) 0.3650(2) 0.0468(8) Uani 1 1 d .
O8 O 1.1136(4) -0.1785(2) 0.0906(2) 0.0379(7) Uani 1 1 d .
O9 O 1.3778(4) -0.1690(3) 0.0531(2) 0.0471(8) Uani 1 1 d .
O10 O 1.3665(4) -0.0852(3) 0.2000(2) 0.0452(8) Uani 1 1 d .
O11 O 0.7566(4) -0.1014(2) 0.11565(19) 0.0284(6) Uani 1 1 d .
O12 O 0.6749(4) -0.1943(3) 0.2576(2) 0.0279(6) Uani 1 1 d .
H11B H 0.643(6) -0.125(3) 0.105(3) 0.032(12) Uiso 1 1 d .
H12B H 0.631(6) -0.252(4) 0.256(3) 0.029(12) Uiso 1 1 d .
H12C H 0.589(7) -0.170(4) 0.239(3) 0.044(16) Uiso 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'
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
N4 Cd1 N1 172.08(7) 2_655 .
N4 Cd1 O8 108.76(9) 2_655 .
N1 Cd1 O8 79.08(9) . .
N4 Cd1 O12 83.06(9) 2_655 .
N1 Cd1 O12 90.59(9) . .
O8 Cd1 O12 150.20(10) . .
N4 Cd1 O11 91.53(8) 2_655 .
N1 Cd1 O11 91.43(8) . .
O8 Cd1 O11 77.03(9) . .
O12 Cd1 O11 75.35(10) . .
N4 Cd1 O6 90.43(8) 2_655 .
N1 Cd1 O6 89.52(8) . .
O8 Cd1 O6 81.98(9) . .
O12 Cd1 O6 126.22(10) . .
O11 Cd1 O6 158.41(9) . .
N4 Cd1 O5 87.35(8) 2_655 .
N1 Cd1 O5 86.52(8) . .
O8 Cd1 O5 130.38(9) . .
O12 Cd1 O5 75.92(10) . .
O11 Cd1 O5 151.18(9) . .
O6 Cd1 O5 50.41(8) . .
C1 N1 C5 120.0 . .
C1 N1 Cd1 117.35(9) . .
C5 N1 Cd1 122.39(9) . .
N1 C1 C2 120.0 . .
N1 C1 H1A 120.0 . .
C2 C1 H1A 120.0 . .
C1 C2 C3 120.0 . .
C1 C2 N2 117.57(16) . .
C3 C2 N2 122.43(16) . .
C4 C3 C2 120.0 . .
C4 C3 H3A 120.0 . .
C2 C3 H3A 120.0 . .
C3 C4 C5 120.0 . .
C3 C4 H4A 120.0 . .
C5 C4 H4A 120.0 . .
C4 C5 N1 120.0 . .
C4 C5 H5A 120.0 . .
N1 C5 H5A 120.0 . .
O1 C6 N2 123.9(3) . .
O1 C6 C7 127.6(3) . .
N2 C6 C7 108.5(3) . .
C6 C7 C8 104.8(3) . .
C6 C7 C10 110.2(3) . .
C8 C7 C10 109.6(3) . .
C6 C7 H7A 110.7 . .
C8 C7 H7A 110.7 . .
C10 C7 H7A 110.7 . .
C9 C8 C7 105.3(3) . .
C9 C8 C13 110.0(3) . .
C7 C8 C13 110.2(3) . .
C9 C8 H8A 110.4 . .
C7 C8 H8A 110.4 . .
C13 C8 H8A 110.4 . .
O2 C9 N2 124.0(3) . .
O2 C9 C8 127.2(3) . .
N2 C9 C8 108.7(3) . .
C11 C10 C16 107.7(3) . .
C11 C10 C7 107.9(3) . .
C16 C10 C7 106.2(2) . .
C11 C10 H10A 111.6 . .
C16 C10 H10A 111.6 . .
C7 C10 H10A 111.6 . .
C12 C11 C10 115.3(3) . .
C12 C11 H11A 122.3 . .
C10 C11 H11A 122.3 . .
C11 C12 C13 114.6(3) . .
C11 C12 H12A 122.7 . .
C13 C12 H12A 122.7 . .
C12 C13 C15 108.3(3) . .
C12 C13 C8 108.5(3) . .
C15 C13 C8 105.0(3) . .
C12 C13 H13A 111.6 . .
C15 C13 H13A 111.6 . .
C8 C13 H13A 111.6 . .
O4 C14 N3 124.9(3) . .
O4 C14 C15 127.1(3) . .
N3 C14 C15 108.0(3) . .
C14 C15 C16 105.2(3) . .
C14 C15 C13 110.3(3) . .
C16 C15 C13 109.6(3) . .
C14 C15 H15A 110.5 . .
C16 C15 H15A 110.5 . .
C13 C15 H15A 110.5 . .
C17 C16 C15 105.4(3) . .
C17 C16 C10 111.0(3) . .
C15 C16 C10 110.0(3) . .
C17 C16 H16A 110.1 . .
C15 C16 H16A 110.1 . .
C10 C16 H16A 110.1 . .
O3 C17 N3 124.2(3) . .
O3 C17 C16 128.1(3) . .
N3 C17 C16 107.7(3) . .
C18 N4 C22 120.0 . .
C18 N4 Cd1 117.66(9) . 2_655
C22 N4 Cd1 122.13(9) . 2_655
C19 C18 N4 120.0 . .
C19 C18 H18A 120.0 . .
N4 C18 H18A 120.0 . .
C18 C19 C20 120.0 . .
C18 C19 N3 117.25(16) . .
C20 C19 N3 122.72(16) . .
C21 C20 C19 120.0 . .
C21 C20 H20A 120.0 . .
C19 C20 H20A 120.0 . .
C20 C21 C22 120.0 . .
C20 C21 H21A 120.0 . .
C22 C21 H21A 120.0 . .
C21 C22 N4 120.0 . .
C21 C22 H22A 120.0 . .
N4 C22 H22A 120.0 . .
C24 C23 H23A 109.5 . .
C24 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C24 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
O11 C24 C23 112.0(3) . .
O11 C24 H24A 109.2 . .
C23 C24 H24A 109.2 . .
O11 C24 H24B 109.2 . .
C23 C24 H24B 109.2 . .
H24A C24 H24B 107.9 . .
C9 N2 C6 112.2(3) . .
C9 N2 C2 123.9(3) . .
C6 N2 C2 123.8(3) . .
C14 N3 C17 113.7(3) . .
C14 N3 C19 122.6(2) . .
C17 N3 C19 123.5(3) . .
O7 N5 O5 120.8(3) . .
O7 N5 O6 122.3(3) . .
O5 N5 O6 116.9(3) . .
O10 N6 O8 121.5(3) . .
O10 N6 O9 120.9(3) . .
O8 N6 O9 117.6(3) . .
N5 O5 Cd1 95.8(2) . .
N5 O6 Cd1 96.85(19) . .
N6 O8 Cd1 119.9(2) . .
C24 O11 Cd1 134.4(2) . .
C24 O11 H11B 112(3) . .
Cd1 O11 H11B 112(3) . .
Cd1 O12 H12B 116(3) . .
Cd1 O12 H12C 125(4) . .
H12B O12 H12C 104(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N4 2.2618(14) 2_655
Cd1 N1 2.3104(15) .
Cd1 O8 2.354(3) .
Cd1 O12 2.379(3) .
Cd1 O11 2.381(3) .
Cd1 O6 2.505(3) .
Cd1 O5 2.536(3) .
N1 C1 1.3900 .
N1 C5 1.3900 .
C1 C2 1.3900 .
C1 H1A 0.9500 .
C2 C3 1.3900 .
C2 N2 1.411(3) .
C3 C4 1.3900 .
C3 H3A 0.9500 .
C4 C5 1.3900 .
C4 H4A 0.9500 .
C5 H5A 0.9500 .
C6 O1 1.212(4) .
C6 N2 1.405(4) .
C6 C7 1.514(4) .
C7 C8 1.533(5) .
C7 C10 1.554(4) .
C7 H7A 1.0000 .
C8 C9 1.511(5) .
C8 C13 1.551(4) .
C8 H8A 1.0000 .
C9 O2 1.207(4) .
C9 N2 1.387(4) .
C10 C11 1.511(5) .
C10 C16 1.545(4) .
C10 H10A 1.0000 .
C11 C12 1.314(5) .
C11 H11A 0.9500 .
C12 C13 1.515(4) .
C12 H12A 0.9500 .
C13 C15 1.548(5) .
C13 H13A 1.0000 .
C14 O4 1.207(4) .
C14 N3 1.390(4) .
C14 C15 1.517(4) .
C15 C16 1.542(5) .
C15 H15A 1.0000 .
C16 C17 1.512(4) .
C16 H16A 1.0000 .
C17 O3 1.199(4) .
C17 N3 1.405(4) .
N4 C18 1.3900 .
N4 C22 1.3900 .
N4 Cd1 2.2618(14) 2_655
C18 C19 1.3900 .
C18 H18A 0.9500 .
C19 C20 1.3900 .
C19 N3 1.403(3) .
C20 C21 1.3900 .
C20 H20A 0.9500 .
C21 C22 1.3900 .
C21 H21A 0.9500 .
C22 H22A 0.9500 .
C23 C24 1.492(6) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 O11 1.419(5) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
N5 O7 1.212(4) .
N5 O5 1.252(4) .
N5 O6 1.268(4) .
N6 O10 1.213(4) .
N6 O8 1.255(4) .
N6 O9 1.271(4) .
O11 H11B 0.83(4) .
O12 H12B 0.78(4) .
O12 H12C 0.76(5) .
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
N4 Cd1 N1 C1 141.8(4) 2_655
O8 Cd1 N1 C1 -46.60(11) .
O12 Cd1 N1 C1 105.27(12) .
O11 Cd1 N1 C1 29.91(12) .
O6 Cd1 N1 C1 -128.52(12) .
O5 Cd1 N1 C1 -178.87(11) .
N4 Cd1 N1 C5 -44.0(5) 2_655
O8 Cd1 N1 C5 127.60(13) .
O12 Cd1 N1 C5 -80.54(13) .
O11 Cd1 N1 C5 -155.90(12) .
O6 Cd1 N1 C5 45.68(12) .
O5 Cd1 N1 C5 -4.68(12) .
C5 N1 C1 C2 0.0 .
Cd1 N1 C1 C2 174.34(13) .
N1 C1 C2 C3 0.0 .
N1 C1 C2 N2 179.5(2) .
C1 C2 C3 C4 0.0 .
N2 C2 C3 C4 -179.5(2) .
C2 C3 C4 C5 0.0 .
C3 C4 C5 N1 0.0 .
C1 N1 C5 C4 0.0 .
Cd1 N1 C5 C4 -174.05(13) .
O1 C6 C7 C8 178.7(3) .
N2 C6 C7 C8 -2.3(3) .
O1 C6 C7 C10 -63.5(4) .
N2 C6 C7 C10 115.5(3) .
C6 C7 C8 C9 -2.1(3) .
C10 C7 C8 C9 -120.4(3) .
C6 C7 C8 C13 116.4(3) .
C10 C7 C8 C13 -1.8(4) .
C7 C8 C9 O2 -177.5(3) .
C13 C8 C9 O2 63.8(4) .
C7 C8 C9 N2 6.0(3) .
C13 C8 C9 N2 -112.8(3) .
C6 C7 C10 C11 -59.8(3) .
C8 C7 C10 C11 55.0(3) .
C6 C7 C10 C16 -175.0(3) .
C8 C7 C10 C16 -60.2(3) .
C16 C10 C11 C12 57.4(4) .
C7 C10 C11 C12 -56.8(4) .
C10 C11 C12 C13 -0.4(4) .
C11 C12 C13 C15 -56.7(4) .
C11 C12 C13 C8 56.7(4) .
C9 C8 C13 C12 63.1(3) .
C7 C8 C13 C12 -52.5(3) .
C9 C8 C13 C15 178.7(2) .
C7 C8 C13 C15 63.1(3) .
O4 C14 C15 C16 -178.3(3) .
N3 C14 C15 C16 0.1(3) .
O4 C14 C15 C13 -60.2(4) .
N3 C14 C15 C13 118.2(3) .
C12 C13 C15 C14 -61.8(3) .
C8 C13 C15 C14 -177.5(2) .
C12 C13 C15 C16 53.7(3) .
C8 C13 C15 C16 -62.1(3) .
C14 C15 C16 C17 -0.6(3) .
C13 C15 C16 C17 -119.2(3) .
C14 C15 C16 C10 119.1(3) .
C13 C15 C16 C10 0.5(4) .
C11 C10 C16 C17 61.9(3) .
C7 C10 C16 C17 177.3(3) .
C11 C10 C16 C15 -54.3(3) .
C7 C10 C16 C15 61.1(3) .
C15 C16 C17 O3 179.2(3) .
C10 C16 C17 O3 60.2(5) .
C15 C16 C17 N3 0.9(3) .
C10 C16 C17 N3 -118.2(3) .
C22 N4 C18 C19 0.0 .
Cd1 N4 C18 C19 -174.89(13) 2_655
N4 C18 C19 C20 0.0 .
N4 C18 C19 N3 -178.2(2) .
C18 C19 C20 C21 0.0 .
N3 C19 C20 C21 178.1(2) .
C19 C20 C21 C22 0.0 .
C20 C21 C22 N4 0.0 .
C18 N4 C22 C21 0.0 .
Cd1 N4 C22 C21 174.65(14) 2_655
O2 C9 N2 C6 175.5(3) .
C8 C9 N2 C6 -7.9(3) .
O2 C9 N2 C2 -7.0(5) .
C8 C9 N2 C2 169.6(2) .
O1 C6 N2 C9 -174.5(3) .
C7 C6 N2 C9 6.4(4) .
O1 C6 N2 C2 8.0(5) .
C7 C6 N2 C2 -171.1(2) .
C1 C2 N2 C9 -132.9(2) .
C3 C2 N2 C9 46.6(3) .
C1 C2 N2 C6 44.3(3) .
C3 C2 N2 C6 -136.2(2) .
O4 C14 N3 C17 178.9(3) .
C15 C14 N3 C17 0.5(4) .
O4 C14 N3 C19 3.3(5) .
C15 C14 N3 C19 -175.1(2) .
O3 C17 N3 C14 -179.4(3) .
C16 C17 N3 C14 -0.9(4) .
O3 C17 N3 C19 -3.8(5) .
C16 C17 N3 C19 174.7(2) .
C18 C19 N3 C14 121.5(3) .
C20 C19 N3 C14 -56.7(3) .
C18 C19 N3 C17 -53.7(3) .
C20 C19 N3 C17 128.1(3) .
O7 N5 O5 Cd1 -176.4(3) .
O6 N5 O5 Cd1 2.6(3) .
N4 Cd1 O5 N5 -94.26(18) 2_655
N1 Cd1 O5 N5 90.76(19) .
O8 Cd1 O5 N5 18.3(2) .
O12 Cd1 O5 N5 -177.8(2) .
O11 Cd1 O5 N5 177.40(18) .
O6 Cd1 O5 N5 -1.50(17) .
O7 N5 O6 Cd1 176.4(3) .
O5 N5 O6 Cd1 -2.6(3) .
N4 Cd1 O6 N5 87.68(19) 2_655
N1 Cd1 O6 N5 -84.39(19) .
O8 Cd1 O6 N5 -163.4(2) .
O12 Cd1 O6 N5 6.0(2) .
O11 Cd1 O6 N5 -177.1(2) .
O5 Cd1 O6 N5 1.48(17) .
O10 N6 O8 Cd1 -23.5(5) .
O9 N6 O8 Cd1 158.3(3) .
N4 Cd1 O8 N6 44.6(3) 2_655
N1 Cd1 O8 N6 -134.1(3) .
O12 Cd1 O8 N6 154.3(2) .
O11 Cd1 O8 N6 131.8(3) .
O6 Cd1 O8 N6 -43.1(3) .
O5 Cd1 O8 N6 -58.3(3) .
C23 C24 O11 Cd1 -64.3(5) .
N4 Cd1 O11 C24 85.1(3) 2_655
N1 Cd1 O11 C24 -102.2(3) .
O8 Cd1 O11 C24 -23.8(3) .
O12 Cd1 O11 C24 167.6(4) .
O6 Cd1 O11 C24 -9.9(5) .
O5 Cd1 O11 C24 172.4(3) .
