#------------------------------------------------------------------------------
#$Date: 2019-11-24 05:41:24 +0200 (Sun, 24 Nov 2019) $
#$Revision: 236850 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/22/7702214.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_7702214
loop_
_publ_author_name
'Gu, Jin-Zhong'
'Cai, Yan'
'Wen, Min'
'Shi, Zi-Fa'
'Kirillov, Alexander M.'
_publ_section_title
;
 A new series of Cd(ii) metal-organic architectures driven by soft
 ether-bridged tricarboxylate spacers: synthesis, structural and
 topological versatility, and photocatalytic properties.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14327
_journal_page_last               14339
_journal_paper_doi               10.1039/c8dt02467g
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C32 H21 Cd N3 O7'
_chemical_formula_weight         671.92
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-08-04 deposited with the CCDC.
2018-08-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.099(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.5741(5)
_cell_length_b                   17.1983(11)
_cell_length_c                   14.7782(8)
_cell_measurement_reflns_used    9950
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.049
_cell_measurement_theta_min      3.512
_cell_volume                     2840.1(3)
_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    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APE-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0614
_diffrn_reflns_av_unetI/netI     0.1208
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9950
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.049
_diffrn_reflns_theta_max         25.049
_diffrn_reflns_theta_min         3.512
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.824
_exptl_absorpt_correction_T_max  0.840
_exptl_absorpt_correction_T_min  0.802
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_description       block
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.220
_exptl_transmission_factor_max   0.834
_exptl_transmission_factor_min   0.797
_refine_diff_density_max         0.988
_refine_diff_density_min         -0.570
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         5019
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.1148
_refine_ls_R_factor_gt           0.0586
_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)+(0.0297P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0982
_refine_ls_wR_factor_ref         0.1359
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2913
_reflns_number_total             5019
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt02467g2.cif
_cod_data_source_block           313-11Cd1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7702214
_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   0.802
_shelx_estimated_absorpt_t_max   0.840
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Cd1 Cd 0.77541(4) 0.12912(3) 0.73004(3) 0.03895(19) Uani 1 1 d . .
N1 N 0.5994(5) 0.1111(4) 0.6078(4) 0.0512(17) Uani 1 1 d . .
N2 N 0.9764(5) 0.1366(4) 0.8236(4) 0.0440(15) Uani 1 1 d . .
N3 N 0.8370(5) 0.0072(3) 0.7894(4) 0.0426(15) Uani 1 1 d . .
O1 O 0.8318(4) 0.2197(3) 0.6349(3) 0.0529(14) Uani 1 1 d . .
O2 O 0.8897(4) 0.1032(3) 0.6039(3) 0.0442(12) Uani 1 1 d . .
O3 O 1.1570(4) 0.3845(3) 0.3437(4) 0.0614(16) Uani 1 1 d . .
O4 O 1.2087(4) 0.2679(3) 0.3073(3) 0.0605(15) Uani 1 1 d . .
O5 O 0.9716(4) 0.3370(3) 0.6108(3) 0.0563(15) Uani 1 1 d . .
O6 O 1.4302(4) 0.5087(3) 0.8497(4) 0.0647(16) Uani 1 1 d . .
H6 H 1.4826 0.5420 0.8633 0.097 Uiso 1 1 calc R U
O7 O 1.3084(5) 0.6122(4) 0.8162(5) 0.0760(18) Uani 1 1 d . .
C1 C 0.8904(5) 0.1754(5) 0.5966(4) 0.0335(16) Uani 1 1 d . .
C2 C 0.9624(5) 0.2119(4) 0.5363(4) 0.0300(15) Uani 1 1 d . .
C3 C 0.9993(5) 0.2888(4) 0.5440(5) 0.0354(17) Uani 1 1 d . .
C4 C 1.0627(5) 0.3209(4) 0.4850(4) 0.0412(18) Uani 1 1 d . .
H4 H 1.0859 0.3728 0.4911 0.049 Uiso 1 1 calc R U
C5 C 1.0908(5) 0.2745(4) 0.4171(5) 0.0352(16) Uani 1 1 d . .
C6 C 1.1559(6) 0.3133(5) 0.3515(5) 0.045(2) Uani 1 1 d . .
C7 C 1.0591(5) 0.1977(4) 0.4103(5) 0.0398(18) Uani 1 1 d . .
H7 H 1.0813 0.1661 0.3666 0.048 Uiso 1 1 calc R U
C8 C 0.9948(5) 0.1672(4) 0.4677(4) 0.0373(17) Uani 1 1 d . .
H8 H 0.9721 0.1152 0.4609 0.045 Uiso 1 1 calc R U
C9 C 1.0608(6) 0.3860(5) 0.6604(5) 0.0463(19) Uani 1 1 d . .
C10 C 1.1736(6) 0.3582(5) 0.7051(5) 0.056(2) Uani 1 1 d . .
H10 H 1.1914 0.3058 0.7007 0.067 Uiso 1 1 calc R U
C11 C 1.2592(6) 0.4079(5) 0.7559(5) 0.056(2) Uani 1 1 d . .
H11 H 1.3343 0.3890 0.7870 0.067 Uiso 1 1 calc R U
C12 C 1.2334(6) 0.4865(5) 0.7607(5) 0.0466(19) Uani 1 1 d . .
C13 C 1.3244(7) 0.5429(6) 0.8109(6) 0.056(2) Uani 1 1 d . .
C14 C 1.1217(6) 0.5138(5) 0.7161(5) 0.055(2) Uani 1 1 d . .
H14 H 1.1047 0.5664 0.7198 0.067 Uiso 1 1 calc R U
C15 C 1.0337(6) 0.4642(5) 0.6658(5) 0.055(2) Uani 1 1 d . .
H15 H 0.9580 0.4829 0.6362 0.066 Uiso 1 1 calc R U
C16 C 0.4952(7) 0.1353(5) 0.6185(6) 0.067(3) Uani 1 1 d . .
H16 H 0.4896 0.1454 0.6791 0.081 Uiso 1 1 calc R U
C17 C 0.3946(7) 0.1464(6) 0.5459(7) 0.083(3) Uani 1 1 d . .
H17 H 0.3230 0.1632 0.5566 0.099 Uiso 1 1 calc R U
C18 C 0.4044(7) 0.1316(6) 0.4563(6) 0.087(3) Uani 1 1 d . .
H18 H 0.3399 0.1404 0.4047 0.105 Uiso 1 1 calc R U
C19 C 0.5082(7) 0.1041(6) 0.4447(6) 0.083(3) Uani 1 1 d . .
H19 H 0.5152 0.0918 0.3851 0.100 Uiso 1 1 calc R U
C20 C 0.6043(7) 0.0943(5) 0.5218(6) 0.065(2) Uani 1 1 d . .
H20 H 0.6755 0.0750 0.5128 0.077 Uiso 1 1 calc R U
C21 C 1.0422(7) 0.2012(5) 0.8389(6) 0.068(2) Uani 1 1 d . .
H21 H 1.0089 0.2479 0.8126 0.081 Uiso 1 1 calc R U
C22 C 1.1608(8) 0.2000(7) 0.8940(7) 0.091(4) Uani 1 1 d . .
H22 H 1.2069 0.2450 0.9026 0.109 Uiso 1 1 calc R U
C23 C 1.2065(8) 0.1337(8) 0.9336(7) 0.091(4) Uani 1 1 d . .
H23 H 1.2845 0.1333 0.9716 0.109 Uiso 1 1 calc R U
C24 C 1.1406(7) 0.0640(6) 0.9200(6) 0.063(2) Uani 1 1 d . .
C25 C 1.0230(5) 0.0705(5) 0.8625(5) 0.0437(19) Uani 1 1 d . .
C26 C 1.1828(8) -0.0088(8) 0.9606(7) 0.093(4) Uani 1 1 d . .
H26 H 1.2612 -0.0128 0.9972 0.112 Uiso 1 1 calc R U
C27 C 1.1130(10) -0.0718(7) 0.9479(7) 0.098(4) Uani 1 1 d . .
H27 H 1.1426 -0.1179 0.9781 0.118 Uiso 1 1 calc R U
C28 C 0.9930(8) -0.0699(5) 0.8885(6) 0.062(2) Uani 1 1 d . .
C29 C 0.9495(6) 0.0001(4) 0.8448(5) 0.0424(18) Uani 1 1 d . .
C30 C 0.9149(11) -0.1336(6) 0.8735(8) 0.087(4) Uani 1 1 d . .
H30 H 0.9418 -0.1817 0.8992 0.105 Uiso 1 1 calc R U
C31 C 0.8014(10) -0.1255(6) 0.8221(8) 0.083(3) Uani 1 1 d . .
H31 H 0.7477 -0.1667 0.8152 0.099 Uiso 1 1 calc R U
C32 C 0.7662(7) -0.0546(5) 0.7796(6) 0.061(2) Uani 1 1 d . .
H32 H 0.6884 -0.0500 0.7420 0.073 Uiso 1 1 calc R U
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
O1 Cd1 N3 137.41(16) . .
O1 Cd1 O4 88.17(17) . 4_566
N3 Cd1 O4 127.47(19) . 4_566
O1 Cd1 N1 86.96(19) . .
N3 Cd1 N1 106.9(2) . .
O4 Cd1 N1 98.2(2) 4_566 .
O1 Cd1 N2 85.90(19) . .
N3 Cd1 N2 70.8(2) . .
O4 Cd1 N2 94.16(18) 4_566 .
N1 Cd1 N2 165.48(19) . .
O1 Cd1 O3 141.65(17) . 4_566
N3 Cd1 O3 79.90(18) . 4_566
O4 Cd1 O3 54.68(17) 4_566 4_566
N1 Cd1 O3 89.24(19) . 4_566
N2 Cd1 O3 104.15(19) . 4_566
O1 Cd1 O2 53.00(15) . .
N3 Cd1 O2 87.26(17) . .
O4 Cd1 O2 140.84(17) 4_566 .
N1 Cd1 O2 85.84(17) . .
N2 Cd1 O2 79.76(16) . .
O3 Cd1 O2 164.29(17) 4_566 .
C20 N1 C16 117.0(7) . .
C20 N1 Cd1 121.3(5) . .
C16 N1 Cd1 119.9(5) . .
C25 N2 C21 119.5(7) . .
C25 N2 Cd1 115.6(4) . .
C21 N2 Cd1 124.9(5) . .
C32 N3 C29 117.7(7) . .
C32 N3 Cd1 124.4(5) . .
C29 N3 Cd1 117.7(5) . .
C1 O1 Cd1 98.0(4) . .
C1 O2 Cd1 84.6(4) . .
C6 O3 Cd1 89.4(4) . 4_665
C6 O4 Cd1 92.9(4) . 4_665
C9 O5 C3 117.5(5) . .
C13 O6 H6 109.5 . .
O2 C1 O1 123.5(6) . .
O2 C1 C2 118.9(6) . .
O1 C1 C2 117.6(7) . .
C3 C2 C8 116.7(6) . .
C3 C2 C1 123.7(6) . .
C8 C2 C1 119.5(6) . .
C2 C3 O5 120.4(6) . .
C2 C3 C4 121.9(6) . .
O5 C3 C4 117.7(6) . .
C5 C4 C3 119.2(6) . .
C5 C4 H4 120.4 . .
C3 C4 H4 120.4 . .
C7 C5 C4 120.0(6) . .
C7 C5 C6 122.8(6) . .
C4 C5 C6 117.2(6) . .
O3 C6 O4 123.0(7) . .
O3 C6 C5 120.8(7) . .
O4 C6 C5 116.2(7) . .
O3 C6 Cd1 63.7(4) . 4_665
O4 C6 Cd1 59.3(3) . 4_665
C5 C6 Cd1 175.5(6) . 4_665
C5 C7 C8 120.2(6) . .
C5 C7 H7 119.9 . .
C8 C7 H7 119.9 . .
C7 C8 C2 121.9(6) . .
C7 C8 H8 119.1 . .
C2 C8 H8 119.1 . .
O5 C9 C10 121.4(7) . .
O5 C9 C15 118.2(7) . .
C10 C9 C15 120.4(7) . .
C11 C10 C9 120.1(8) . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
C10 C11 C12 119.9(7) . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C14 C12 C11 119.8(7) . .
C14 C12 C13 118.4(8) . .
C11 C12 C13 121.8(7) . .
O7 C13 O6 122.6(8) . .
O7 C13 C12 125.1(8) . .
O6 C13 C12 112.2(8) . .
C12 C14 C15 121.0(8) . .
C12 C14 H14 119.5 . .
C15 C14 H14 119.5 . .
C9 C15 C14 118.8(7) . .
C9 C15 H15 120.6 . .
C14 C15 H15 120.6 . .
N1 C16 C17 124.2(8) . .
N1 C16 H16 117.9 . .
C17 C16 H16 117.9 . .
C16 C17 C18 117.3(8) . .
C16 C17 H17 121.4 . .
C18 C17 H17 121.4 . .
C19 C18 C17 119.1(8) . .
C19 C18 H18 120.4 . .
C17 C18 H18 120.4 . .
C18 C19 C20 119.6(8) . .
C18 C19 H19 120.2 . .
C20 C19 H19 120.2 . .
N1 C20 C19 122.7(8) . .
N1 C20 H20 118.6 . .
C19 C20 H20 118.6 . .
N2 C21 C22 121.0(9) . .
N2 C21 H21 119.5 . .
C22 C21 H21 119.5 . .
C23 C22 C21 119.2(9) . .
C23 C22 H22 120.4 . .
C21 C22 H22 120.4 . .
C22 C23 C24 122.0(9) . .
C22 C23 H23 119.0 . .
C24 C23 H23 119.0 . .
C23 C24 C25 115.0(9) . .
C23 C24 C26 125.3(9) . .
C25 C24 C26 119.7(9) . .
N2 C25 C24 123.4(8) . .
N2 C25 C29 118.7(6) . .
C24 C25 C29 117.9(8) . .
C27 C26 C24 121.9(10) . .
C27 C26 H26 119.1 . .
C24 C26 H26 119.1 . .
C26 C27 C28 121.3(10) . .
C26 C27 H27 119.3 . .
C28 C27 H27 119.3 . .
C29 C28 C30 117.5(8) . .
C29 C28 C27 118.5(9) . .
C30 C28 C27 124.0(10) . .
N3 C29 C28 122.1(7) . .
N3 C29 C25 117.2(6) . .
C28 C29 C25 120.5(7) . .
C31 C30 C28 120.4(9) . .
C31 C30 H30 119.8 . .
C28 C30 H30 119.8 . .
C30 C31 C32 118.5(9) . .
C30 C31 H31 120.8 . .
C32 C31 H31 120.8 . .
N3 C32 C31 123.8(8) . .
N3 C32 H32 118.1 . .
C31 C32 H32 118.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O1 2.304(4) .
Cd1 N3 2.313(6) .
Cd1 O4 2.344(5) 4_566
Cd1 N1 2.365(6) .
Cd1 N2 2.380(5) .
Cd1 O3 2.440(5) 4_566
Cd1 O2 2.591(4) .
N1 C20 1.319(9) .
N1 C16 1.324(8) .
N2 C25 1.323(8) .
N2 C21 1.333(9) .
N3 C32 1.326(9) .
N3 C29 1.352(8) .
O1 C1 1.249(7) .
O2 C1 1.248(8) .
O3 C6 1.231(9) .
O3 Cd1 2.440(5) 4_665
O4 C6 1.272(8) .
O4 Cd1 2.344(5) 4_665
O5 C9 1.386(8) .
O5 C3 1.389(7) .
O6 C13 1.344(9) .
O6 H6 0.8200 .
O7 C13 1.213(10) .
C1 C2 1.506(8) .
C2 C3 1.384(9) .
C2 C8 1.400(8) .
C3 C4 1.392(8) .
C4 C5 1.386(8) .
C4 H4 0.9300 .
C5 C7 1.367(9) .
C5 C6 1.527(9) .
C6 Cd1 2.722(7) 4_665
C7 C8 1.371(8) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 C10 1.386(9) .
C9 C15 1.387(10) .
C10 C11 1.374(10) .
C10 H10 0.9300 .
C11 C12 1.390(10) .
C11 H11 0.9300 .
C12 C14 1.371(9) .
C12 C13 1.481(10) .
C14 C15 1.387(9) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.376(10) .
C16 H16 0.9300 .
C17 C18 1.382(11) .
C17 H17 0.9300 .
C18 C19 1.342(10) .
C18 H18 0.9300 .
C19 C20 1.380(10) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.402(10) .
C21 H21 0.9300 .
C22 C23 1.327(13) .
C22 H22 0.9300 .
C23 C24 1.407(13) .
C23 H23 0.9300 .
C24 C25 1.409(9) .
C24 C26 1.420(13) .
C25 C29 1.463(9) .
C26 C27 1.335(13) .
C26 H26 0.9300 .
C27 C28 1.437(12) .
C27 H27 0.9300 .
C28 C29 1.397(10) .
C28 C30 1.400(12) .
C30 C31 1.342(12) .
C30 H30 0.9300 .
C31 C32 1.383(12) .
C31 H31 0.9300 .
C32 H32 0.9300 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C31 H31 O1 0.93 2.36 3.222(10) 154.2 2_646
C20 H20 O2 0.93 2.54 3.212(9) 129.4 .
O6 H6 O2 0.82 1.77 2.590(6) 172.0 2_756
O6 H6 O2 0.82 1.77 2.590(6) 172.0 2_756
C20 H20 O2 0.93 2.54 3.212(9) 129.4 .
C31 H31 O1 0.93 2.36 3.222(10) 154.2 2_646
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
Cd1 O2 C1 O1 -9.5(6) .
Cd1 O2 C1 C2 172.4(5) .
Cd1 O1 C1 O2 10.7(7) .
Cd1 O1 C1 C2 -171.1(4) .
O2 C1 C2 C3 -160.0(6) .
O1 C1 C2 C3 21.8(9) .
O2 C1 C2 C8 20.2(9) .
O1 C1 C2 C8 -158.0(6) .
C8 C2 C3 O5 -179.5(5) .
C1 C2 C3 O5 0.7(10) .
C8 C2 C3 C4 1.8(9) .
C1 C2 C3 C4 -178.1(6) .
C9 O5 C3 C2 137.4(7) .
C9 O5 C3 C4 -43.9(9) .
C2 C3 C4 C5 -0.7(10) .
O5 C3 C4 C5 -179.4(6) .
C3 C4 C5 C7 -1.7(10) .
C3 C4 C5 C6 177.5(6) .
Cd1 O3 C6 O4 1.2(7) 4_665
Cd1 O3 C6 C5 -179.6(5) 4_665
Cd1 O4 C6 O3 -1.3(8) 4_665
Cd1 O4 C6 C5 179.5(5) 4_665
C7 C5 C6 O3 161.9(7) .
C4 C5 C6 O3 -17.3(10) .
C7 C5 C6 O4 -18.9(10) .
C4 C5 C6 O4 161.9(6) .
C4 C5 C7 C8 2.9(10) .
C6 C5 C7 C8 -176.2(6) .
C5 C7 C8 C2 -1.8(10) .
C3 C2 C8 C7 -0.5(9) .
C1 C2 C8 C7 179.3(6) .
C3 O5 C9 C10 -51.5(9) .
C3 O5 C9 C15 129.7(7) .
O5 C9 C10 C11 -178.2(6) .
C15 C9 C10 C11 0.6(11) .
C9 C10 C11 C12 -1.4(12) .
C10 C11 C12 C14 1.3(12) .
C10 C11 C12 C13 -177.2(7) .
C14 C12 C13 O7 0.0(13) .
C11 C12 C13 O7 178.5(8) .
C14 C12 C13 O6 -178.8(7) .
C11 C12 C13 O6 -0.3(11) .
C11 C12 C14 C15 -0.3(12) .
C13 C12 C14 C15 178.2(7) .
O5 C9 C15 C14 179.2(6) .
C10 C9 C15 C14 0.4(12) .
C12 C14 C15 C9 -0.6(12) .
C20 N1 C16 C17 -2.4(14) .
Cd1 N1 C16 C17 162.3(8) .
N1 C16 C17 C18 -0.4(16) .
C16 C17 C18 C19 2.9(17) .
C17 C18 C19 C20 -2.6(17) .
C16 N1 C20 C19 2.8(14) .
Cd1 N1 C20 C19 -161.8(7) .
C18 C19 C20 N1 -0.3(16) .
C25 N2 C21 C22 1.3(12) .
Cd1 N2 C21 C22 -179.0(6) .
N2 C21 C22 C23 -2.0(15) .
C21 C22 C23 C24 1.7(16) .
C22 C23 C24 C25 -0.7(15) .
C22 C23 C24 C26 -179.3(10) .
C21 N2 C25 C24 -0.2(11) .
Cd1 N2 C25 C24 -180.0(5) .
C21 N2 C25 C29 -179.9(6) .
Cd1 N2 C25 C29 0.3(8) .
C23 C24 C25 N2 -0.1(11) .
C26 C24 C25 N2 178.6(8) .
C23 C24 C25 C29 179.7(7) .
C26 C24 C25 C29 -1.7(11) .
C23 C24 C26 C27 176.9(11) .
C25 C24 C26 C27 -1.7(15) .
C24 C26 C27 C28 3.1(17) .
C26 C27 C28 C29 -0.9(14) .
C26 C27 C28 C30 -179.0(10) .
C32 N3 C29 C28 2.1(10) .
Cd1 N3 C29 C28 176.3(5) .
C32 N3 C29 C25 -174.2(6) .
Cd1 N3 C29 C25 -0.1(8) .
C30 C28 C29 N3 -0.5(11) .
C27 C28 C29 N3 -178.7(7) .
C30 C28 C29 C25 175.7(7) .
C27 C28 C29 C25 -2.5(10) .
N2 C25 C29 N3 -0.2(9) .
C24 C25 C29 N3 -179.9(6) .
N2 C25 C29 C28 -176.6(6) .
C24 C25 C29 C28 3.7(10) .
C29 C28 C30 C31 -2.7(13) .
C27 C28 C30 C31 175.4(9) .
C28 C30 C31 C32 4.2(14) .
C29 N3 C32 C31 -0.6(11) .
Cd1 N3 C32 C31 -174.3(6) .
C30 C31 C32 N3 -2.6(13) .
