#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/37/4503739.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_4503739
loop_
_publ_author_name
'Shi, Qian'
'Sun, Yunti'
'Sheng, Lizi'
'Ma, Kefang'
'Hu, Maolin'
'Hu, Xingen'
'Huang, Shaoming'
_publ_section_title
;
 Anion-Dependent Crystallization of Four Supramolecular Cadmium Complexes:
 Structures and Property Studies
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3401
_journal_paper_doi               10.1021/cg8003504
_journal_volume                  8
_journal_year                    2008
_chemical_formula_moiety         'C33 H24 Cd N2 O7'
_chemical_formula_sum            'C33 H24 Cd N2 O7'
_chemical_formula_weight         672.95
_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                104.929(2)
_cell_angle_beta                 96.122(2)
_cell_angle_gamma                112.896(2)
_cell_formula_units_Z            2
_cell_length_a                   10.0688(11)
_cell_length_b                   11.7024(12)
_cell_length_c                   12.9457(16)
_cell_measurement_reflns_used    4243
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.21
_cell_measurement_theta_min      2.00
_cell_volume                     1320.6(3)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'XP (Bruker, 2002)'
_computing_publication_material  'SHELXL-97 (Bruker, 2002)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX area-detector diffractometer'
_diffrn_measurement_method       'φ scans, and 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  0.0303
_diffrn_reflns_av_sigmaI/netI    0.0406
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7074
_diffrn_reflns_theta_full        25.21
_diffrn_reflns_theta_max         25.21
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.885
_exptl_absorpt_correction_T_max  0.853
_exptl_absorpt_correction_T_min  0.792
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.734
_refine_diff_density_min         -0.736
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.169
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     396
_refine_ls_number_reflns         4679
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.169
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0436
_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)+(0.0396P)²+2.2109P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1061
_refine_ls_wR_factor_ref         0.1079
_reflns_number_gt                4348
_reflns_number_total             4679
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg80035043.cif
_cod_data_source_block           Cd(pamoic)(bipy)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4503739
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 0.65514(3) 0.83859(3) 0.92223(3) 0.03309(12) Uani 1 1 d .
N1 N 0.7803(4) 0.7317(3) 0.9876(3) 0.0349(8) Uani 1 1 d .
N2 N 0.5434(4) 0.7539(4) 1.0530(3) 0.0441(10) Uani 1 1 d .
O1 O 0.4056(3) 0.8211(3) 0.8508(3) 0.0408(8) Uani 1 1 d .
O2 O 0.4741(4) 0.6691(3) 0.7755(3) 0.0455(8) Uani 1 1 d .
O3 O 0.2859(3) 0.4424(3) 0.6493(3) 0.0392(7) Uani 1 1 d .
H3A H 0.3667 0.5016 0.6853 0.059 Uiso 1 1 calc R
O4 O -0.1774(4) 0.1702(3) 0.6787(3) 0.0443(8) Uani 1 1 d .
H4A H -0.2272 0.1409 0.7200 0.066 Uiso 1 1 calc R
O5 O -0.2591(4) 0.0465(4) 0.8154(3) 0.0556(10) Uani 1 1 d .
O6 O -0.1601(4) -0.0843(3) 0.8425(3) 0.0475(8) Uani 1 1 d .
O7 O 0.7371(4) 1.0524(3) 1.0358(3) 0.0500(9) Uani 1 1 d D
H7B H 0.689(5) 1.089(5) 1.070(4) 0.060(18) Uiso 1 1 d D
C1 C 0.0355(5) 0.3966(4) 0.6090(3) 0.0334(10) Uani 1 1 d .
C2 C 0.1796(5) 0.4858(4) 0.6598(3) 0.0326(10) Uani 1 1 d .
C3 C 0.2194(5) 0.6188(4) 0.7227(3) 0.0324(9) Uani 1 1 d .
C4 C 0.1092(5) 0.6605(4) 0.7253(4) 0.0354(10) Uani 1 1 d .
H4B H 0.1333 0.7469 0.7658 0.042 Uiso 1 1 calc R
C5 C -0.0376(5) 0.5773(4) 0.6691(4) 0.0352(10) Uani 1 1 d .
C6 C -0.1475(5) 0.6259(5) 0.6678(4) 0.0401(11) Uani 1 1 d .
H6A H -0.1222 0.7130 0.7070 0.048 Uiso 1 1 calc R
C7 C -0.2893(5) 0.5452(5) 0.6096(4) 0.0465(12) Uani 1 1 d .
H7A H -0.3603 0.5775 0.6079 0.056 Uiso 1 1 calc R
C8 C -0.3278(5) 0.4143(5) 0.5527(4) 0.0498(13) Uani 1 1 d .
H8A H -0.4250 0.3603 0.5132 0.060 Uiso 1 1 calc R
C9 C -0.2279(5) 0.3632(5) 0.5531(4) 0.0442(12) Uani 1 1 d .
H9A H -0.2586 0.2747 0.5155 0.053 Uiso 1 1 calc R
C10 C -0.0765(5) 0.4427(4) 0.6104(3) 0.0337(10) Uani 1 1 d .
C11 C 0.0058(6) 0.2565(4) 0.5460(4) 0.0394(11) Uani 1 1 d .
H11A H -0.0968 0.2102 0.5051 0.047 Uiso 1 1 calc R
H11B H 0.0672 0.2596 0.4929 0.047 Uiso 1 1 calc R
C12 C 0.3744(5) 0.7092(4) 0.7859(4) 0.0335(10) Uani 1 1 d .
C13 C 0.0339(5) 0.1768(4) 0.6146(3) 0.0332(10) Uani 1 1 d .
C14 C -0.0645(5) 0.1339(4) 0.6774(3) 0.0329(10) Uani 1 1 d .
C15 C -0.0522(5) 0.0522(4) 0.7397(4) 0.0323(9) Uani 1 1 d .
C16 C 0.0644(5) 0.0198(4) 0.7384(4) 0.0353(10) Uani 1 1 d .
H16A H 0.0759 -0.0302 0.7811 0.042 Uiso 1 1 calc R
C17 C 0.1667(5) 0.0590(4) 0.6754(4) 0.0358(10) Uani 1 1 d .
C18 C 0.2841(5) 0.0203(5) 0.6733(5) 0.0474(12) Uani 1 1 d .
H18A H 0.2970 -0.0266 0.7186 0.057 Uiso 1 1 calc R
C19 C 0.3771(6) 0.0506(5) 0.6064(5) 0.0557(15) Uani 1 1 d .
H19A H 0.4541 0.0254 0.6061 0.067 Uiso 1 1 calc R
C20 C 0.3570(6) 0.1205(5) 0.5374(5) 0.0579(16) Uani 1 1 d .
H20A H 0.4184 0.1376 0.4890 0.069 Uiso 1 1 calc R
C21 C 0.2495(6) 0.1638(5) 0.5397(4) 0.0467(12) Uani 1 1 d .
H21A H 0.2410 0.2123 0.4948 0.056 Uiso 1 1 calc R
C22 C 0.1495(5) 0.1359(4) 0.6099(4) 0.0362(10) Uani 1 1 d .
C23 C -0.1646(5) 0.0018(4) 0.8026(4) 0.0370(10) Uani 1 1 d .
C24 C 0.9041(5) 0.7309(5) 0.9604(4) 0.0435(11) Uani 1 1 d .
H24A H 0.9410 0.7725 0.9104 0.052 Uiso 1 1 calc R
C25 C 0.9789(6) 0.6714(5) 1.0030(4) 0.0483(12) Uani 1 1 d .
H25A H 1.0640 0.6713 0.9813 0.058 Uiso 1 1 calc R
C26 C 0.9272(6) 0.6126(5) 1.0774(4) 0.0481(12) Uani 1 1 d .
H26A H 0.9772 0.5726 1.1080 0.058 Uiso 1 1 calc R
C27 C 0.8001(5) 0.6125(5) 1.1070(4) 0.0417(11) Uani 1 1 d .
H27A H 0.7637 0.5729 1.1581 0.050 Uiso 1 1 calc R
C28 C 0.7269(5) 0.6718(4) 1.0604(4) 0.0329(9) Uani 1 1 d .
C29 C 0.5900(5) 0.6771(4) 1.0896(3) 0.0326(9) Uani 1 1 d .
C30 C 0.5151(6) 0.6056(6) 1.1525(4) 0.0513(13) Uani 1 1 d .
H30A H 0.5482 0.5505 1.1759 0.062 Uiso 1 1 calc R
C31 C 0.3914(6) 0.6167(5) 1.1798(4) 0.0514(13) Uani 1 1 d .
H31A H 0.3400 0.5693 1.2218 0.062 Uiso 1 1 calc R
C32 C 0.3452(6) 0.6975(6) 1.1449(4) 0.0535(14) Uani 1 1 d .
H32A H 0.2620 0.7068 1.1626 0.064 Uiso 1 1 calc R
C33 C 0.4243(7) 0.7656(7) 1.0826(5) 0.0618(16) Uani 1 1 d .
H33A H 0.3938 0.8224 1.0598 0.074 Uiso 1 1 calc R
H7C H 0.731(9) 1.072(8) 0.977(4) 0.11(3) Uiso 1 1 d 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
O6 Cd1 O7 86.67(14) 1_665 .
O6 Cd1 O2 101.82(13) 1_665 .
O7 Cd1 O2 145.59(13) . .
O6 Cd1 N1 87.24(12) 1_665 .
O7 Cd1 N1 112.00(14) . .
O2 Cd1 N1 101.76(13) . .
O6 Cd1 N2 155.40(14) 1_665 .
O7 Cd1 N2 92.06(15) . .
O2 Cd1 N2 93.05(14) . .
N1 Cd1 N2 70.46(13) . .
O6 Cd1 O1 120.51(12) 1_665 .
O7 Cd1 O1 92.84(12) . .
O2 Cd1 O1 53.99(11) . .
N1 Cd1 O1 144.40(12) . .
N2 Cd1 O1 84.08(13) . .
O6 Cd1 H7C 74.9(17) 1_665 .
O7 Cd1 H7C 20.6(6) . .
O2 Cd1 H7C 130.6(12) . .
N1 Cd1 H7C 126.8(15) . .
N2 Cd1 H7C 109.9(11) . .
O1 Cd1 H7C 84.7(18) . .
C24 N1 C28 118.8(4) . .
C24 N1 Cd1 123.6(3) . .
C28 N1 Cd1 117.6(3) . .
C29 N2 C33 118.0(4) . .
C29 N2 Cd1 117.5(3) . .
C33 N2 Cd1 124.0(3) . .
C12 O1 Cd1 88.5(3) . .
C12 O2 Cd1 96.3(3) . .
C2 O3 H3A 109.5 . .
C14 O4 H4A 109.5 . .
C23 O6 Cd1 113.9(3) . 1_445
Cd1 O7 H7B 129(4) . .
Cd1 O7 H7C 87(6) . .
H7B O7 H7C 100(6) . .
C2 C1 C10 118.2(4) . .
C2 C1 C11 118.2(4) . .
C10 C1 C11 123.4(4) . .
O3 C2 C1 117.2(4) . .
O3 C2 C3 119.9(4) . .
C1 C2 C3 122.8(4) . .
C4 C3 C2 117.8(4) . .
C4 C3 C12 120.7(4) . .
C2 C3 C12 121.4(4) . .
C3 C4 C5 122.1(4) . .
C3 C4 H4B 118.9 . .
C5 C4 H4B 118.9 . .
C4 C5 C6 120.7(4) . .
C4 C5 C10 119.2(4) . .
C6 C5 C10 120.1(4) . .
C7 C6 C5 120.3(5) . .
C7 C6 H6A 119.9 . .
C5 C6 H6A 119.9 . .
C6 C7 C8 119.8(5) . .
C6 C7 H7A 120.1 . .
C8 C7 H7A 120.1 . .
C9 C8 C7 122.0(5) . .
C9 C8 H8A 119.0 . .
C7 C8 H8A 119.0 . .
C8 C9 C10 121.2(5) . .
C8 C9 H9A 119.4 . .
C10 C9 H9A 119.4 . .
C1 C10 C9 123.9(4) . .
C1 C10 C5 119.6(4) . .
C9 C10 C5 116.5(4) . .
C13 C11 C1 116.2(4) . .
C13 C11 H11A 108.2 . .
C1 C11 H11A 108.2 . .
C13 C11 H11B 108.2 . .
C1 C11 H11B 108.2 . .
H11A C11 H11B 107.4 . .
O1 C12 O2 120.3(4) . .
O1 C12 C3 121.1(4) . .
O2 C12 C3 118.5(4) . .
C14 C13 C22 118.6(4) . .
C14 C13 C11 118.1(4) . .
C22 C13 C11 123.1(4) . .
O4 C14 C13 118.1(4) . .
O4 C14 C15 119.7(4) . .
C13 C14 C15 122.2(4) . .
C16 C15 C14 118.2(4) . .
C16 C15 C23 120.8(4) . .
C14 C15 C23 121.0(4) . .
C15 C16 C17 122.2(4) . .
C15 C16 H16A 118.9 . .
C17 C16 H16A 118.9 . .
C16 C17 C18 120.8(4) . .
C16 C17 C22 119.0(4) . .
C18 C17 C22 120.1(4) . .
C19 C18 C17 120.8(5) . .
C19 C18 H18A 119.6 . .
C17 C18 H18A 119.6 . .
C18 C19 C20 119.6(5) . .
C18 C19 H19A 120.2 . .
C20 C19 H19A 120.2 . .
C21 C20 C19 121.4(5) . .
C21 C20 H20A 119.3 . .
C19 C20 H20A 119.3 . .
C20 C21 C22 121.1(5) . .
C20 C21 H21A 119.4 . .
C22 C21 H21A 119.4 . .
C13 C22 C21 123.6(4) . .
C13 C22 C17 119.6(4) . .
C21 C22 C17 116.7(4) . .
O5 C23 O6 122.1(4) . .
O5 C23 C15 119.9(4) . .
O6 C23 C15 118.0(4) . .
N1 C24 C25 122.6(5) . .
N1 C24 H24A 118.7 . .
C25 C24 H24A 118.7 . .
C26 C25 C24 119.1(5) . .
C26 C25 H25A 120.5 . .
C24 C25 H25A 120.5 . .
C25 C26 C27 119.4(5) . .
C25 C26 H26A 120.3 . .
C27 C26 H26A 120.3 . .
C26 C27 C28 119.5(5) . .
C26 C27 H27A 120.2 . .
C28 C27 H27A 120.2 . .
N1 C28 C27 120.7(4) . .
N1 C28 C29 116.8(4) . .
C27 C28 C29 122.5(4) . .
N2 C29 C30 121.6(4) . .
N2 C29 C28 116.7(4) . .
C30 C29 C28 121.7(4) . .
C31 C30 C29 119.4(5) . .
C31 C30 H30A 120.3 . .
C29 C30 H30A 120.3 . .
C32 C31 C30 119.3(5) . .
C32 C31 H31A 120.3 . .
C30 C31 H31A 120.3 . .
C31 C32 C33 118.4(5) . .
C31 C32 H32A 120.8 . .
C33 C32 H32A 120.8 . .
N2 C33 C32 123.2(5) . .
N2 C33 H33A 118.4 . .
C32 C33 H33A 118.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O6 2.219(3) 1_665
Cd1 O7 2.311(4) .
Cd1 O2 2.317(3) .
Cd1 N1 2.327(4) .
Cd1 N2 2.349(4) .
Cd1 O1 2.493(3) .
Cd1 H7C 2.41(8) .
N1 C24 1.333(6) .
N1 C28 1.350(6) .
N2 C29 1.325(6) .
N2 C33 1.341(6) .
O1 C12 1.256(5) .
O2 C12 1.268(5) .
O3 C2 1.357(5) .
O3 H3A 0.8200 .
O4 C14 1.361(5) .
O4 H4A 0.8200 .
O5 C23 1.258(6) .
O6 C23 1.259(5) .
O6 Cd1 2.219(3) 1_445
O7 H7B 0.850(5) .
O7 H7C 0.850(5) .
C1 C2 1.375(6) .
C1 C10 1.427(6) .
C1 C11 1.523(6) .
C2 C3 1.427(6) .
C3 C4 1.375(6) .
C3 C12 1.490(6) .
C4 C5 1.395(6) .
C4 H4B 0.9300 .
C5 C6 1.428(6) .
C5 C10 1.433(6) .
C6 C7 1.361(7) .
C6 H6A 0.9300 .
C7 C8 1.391(8) .
C7 H7A 0.9300 .
C8 C9 1.356(7) .
C8 H8A 0.9300 .
C9 C10 1.428(6) .
C9 H9A 0.9300 .
C11 C13 1.522(6) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C13 C14 1.374(6) .
C13 C22 1.422(6) .
C14 C15 1.431(6) .
C15 C16 1.369(6) .
C15 C23 1.488(6) .
C16 C17 1.393(6) .
C16 H16A 0.9300 .
C17 C18 1.422(7) .
C17 C22 1.429(7) .
C18 C19 1.352(7) .
C18 H18A 0.9300 .
C19 C20 1.406(8) .
C19 H19A 0.9300 .
C20 C21 1.362(8) .
C20 H20A 0.9300 .
C21 C22 1.427(6) .
C21 H21A 0.9300 .
C24 C25 1.370(7) .
C24 H24A 0.9300 .
C25 C26 1.357(7) .
C25 H25A 0.9300 .
C26 C27 1.374(7) .
C26 H26A 0.9300 .
C27 C28 1.382(6) .
C27 H27A 0.9300 .
C28 C29 1.487(6) .
C29 C30 1.386(6) .
C30 C31 1.375(7) .
C30 H30A 0.9300 .
C31 C32 1.353(8) .
C31 H31A 0.9300 .
C32 C33 1.376(8) .
C32 H32A 0.9300 .
C33 H33A 0.9300 .
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
O6 Cd1 N1 C24 -5.1(4) 1_665
O7 Cd1 N1 C24 -90.4(4) .
O2 Cd1 N1 C24 96.4(4) .
N2 Cd1 N1 C24 -174.5(4) .
O1 Cd1 N1 C24 138.6(3) .
O6 Cd1 N1 C28 172.2(3) 1_665
O7 Cd1 N1 C28 86.9(3) .
O2 Cd1 N1 C28 -86.3(3) .
N2 Cd1 N1 C28 2.8(3) .
O1 Cd1 N1 C28 -44.1(4) .
O6 Cd1 N2 C29 -33.7(6) 1_665
O7 Cd1 N2 C29 -120.2(4) .
O2 Cd1 N2 C29 93.9(4) .
N1 Cd1 N2 C29 -7.5(3) .
O1 Cd1 N2 C29 147.2(4) .
O6 Cd1 N2 C33 154.7(4) 1_665
O7 Cd1 N2 C33 68.2(5) .
O2 Cd1 N2 C33 -77.8(5) .
N1 Cd1 N2 C33 -179.2(5) .
O1 Cd1 N2 C33 -24.5(5) .
O6 Cd1 O1 C12 87.6(3) 1_665
O7 Cd1 O1 C12 175.4(3) .
O2 Cd1 O1 C12 5.3(2) .
N1 Cd1 O1 C12 -49.1(3) .
N2 Cd1 O1 C12 -92.9(3) .
O6 Cd1 O2 C12 -124.5(3) 1_665
O7 Cd1 O2 C12 -23.0(4) .
N1 Cd1 O2 C12 145.9(3) .
N2 Cd1 O2 C12 75.2(3) .
O1 Cd1 O2 C12 -5.2(2) .
C10 C1 C2 O3 -174.4(4) .
C11 C1 C2 O3 0.5(6) .
C10 C1 C2 C3 6.4(6) .
C11 C1 C2 C3 -178.7(4) .
O3 C2 C3 C4 176.0(4) .
C1 C2 C3 C4 -4.8(6) .
O3 C2 C3 C12 -5.4(6) .
C1 C2 C3 C12 173.7(4) .
C2 C3 C4 C5 0.1(6) .
C12 C3 C4 C5 -178.4(4) .
C3 C4 C5 C6 -176.0(4) .
C3 C4 C5 C10 2.6(6) .
C4 C5 C6 C7 177.7(4) .
C10 C5 C6 C7 -0.9(7) .
C5 C6 C7 C8 1.1(7) .
C6 C7 C8 C9 0.1(8) .
C7 C8 C9 C10 -1.5(8) .
C2 C1 C10 C9 174.5(4) .
C11 C1 C10 C9 -0.1(7) .
C2 C1 C10 C5 -3.4(6) .
C11 C1 C10 C5 -178.1(4) .
C8 C9 C10 C1 -176.4(4) .
C8 C9 C10 C5 1.6(7) .
C4 C5 C10 C1 -0.9(6) .
C6 C5 C10 C1 177.7(4) .
C4 C5 C10 C9 -179.0(4) .
C6 C5 C10 C9 -0.4(6) .
C2 C1 C11 C13 67.6(5) .
C10 C1 C11 C13 -117.8(5) .
Cd1 O1 C12 O2 -9.0(4) .
Cd1 O1 C12 C3 168.7(4) .
Cd1 O2 C12 O1 9.8(5) .
Cd1 O2 C12 C3 -168.0(3) .
C4 C3 C12 O1 6.7(6) .
C2 C3 C12 O1 -171.8(4) .
C4 C3 C12 O2 -175.6(4) .
C2 C3 C12 O2 5.9(6) .
C1 C11 C13 C14 72.8(5) .
C1 C11 C13 C22 -112.6(5) .
C22 C13 C14 O4 -178.0(4) .
C11 C13 C14 O4 -3.1(6) .
C22 C13 C14 C15 1.5(6) .
C11 C13 C14 C15 176.4(4) .
O4 C14 C15 C16 -178.6(4) .
C13 C14 C15 C16 1.9(6) .
O4 C14 C15 C23 2.5(6) .
C13 C14 C15 C23 -177.0(4) .
C14 C15 C16 C17 -2.7(6) .
C23 C15 C16 C17 176.2(4) .
C15 C16 C17 C18 -178.1(4) .
C15 C16 C17 C22 0.1(7) .
C16 C17 C18 C19 175.4(5) .
C22 C17 C18 C19 -2.8(7) .
C17 C18 C19 C20 -0.5(8) .
C18 C19 C20 C21 3.0(8) .
C19 C20 C21 C22 -2.2(8) .
C14 C13 C22 C21 173.9(4) .
C11 C13 C22 C21 -0.8(7) .
C14 C13 C22 C17 -4.1(6) .
C11 C13 C22 C17 -178.7(4) .
C20 C21 C22 C13 -179.1(5) .
C20 C21 C22 C17 -1.1(7) .
C16 C17 C22 C13 3.3(6) .
C18 C17 C22 C13 -178.4(4) .
C16 C17 C22 C21 -174.7(4) .
C18 C17 C22 C21 3.5(6) .
Cd1 O6 C23 O5 5.4(6) 1_445
Cd1 O6 C23 C15 -175.3(3) 1_445
C16 C15 C23 O5 170.3(4) .
C14 C15 C23 O5 -10.9(7) .
C16 C15 C23 O6 -9.0(6) .
C14 C15 C23 O6 169.9(4) .
C28 N1 C24 C25 0.2(7) .
Cd1 N1 C24 C25 177.5(4) .
N1 C24 C25 C26 -1.1(8) .
C24 C25 C26 C27 0.9(8) .
C25 C26 C27 C28 0.3(8) .
C24 N1 C28 C27 0.9(7) .
Cd1 N1 C28 C27 -176.5(3) .
C24 N1 C28 C29 179.0(4) .
Cd1 N1 C28 C29 1.6(5) .
C26 C27 C28 N1 -1.2(7) .
C26 C27 C28 C29 -179.2(4) .
C33 N2 C29 C30 2.9(7) .
Cd1 N2 C29 C30 -169.2(4) .
C33 N2 C29 C28 -176.8(5) .
Cd1 N2 C29 C28 11.0(5) .
N1 C28 C29 N2 -8.4(6) .
C27 C28 C29 N2 169.6(4) .
N1 C28 C29 C30 171.8(4) .
C27 C28 C29 C30 -10.1(7) .
N2 C29 C30 C31 -1.6(8) .
C28 C29 C30 C31 178.2(5) .
C29 C30 C31 C32 -0.1(8) .
C30 C31 C32 C33 0.2(9) .
C29 N2 C33 C32 -2.8(9) .
Cd1 N2 C33 C32 168.8(5) .
C31 C32 C33 N2 1.3(10) .
