#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:52:30 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179601 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/65/4506510.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_4506510
loop_
_publ_author_name
'Wen, Lili'
'Ke, Xiaohuan'
'Qiu, Ling'
'Zou, Yang'
'Zhou, Li'
'Zhao, Jinbo'
'Li, Dongfeng'
_publ_section_title
;
 Assembly of Two Porous Cadmium(II) Frameworks: Selective Adsorption and
 Luminescent Property
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4083
_journal_paper_doi               10.1021/cg300566x
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C50 H42 Cd N8 O6'
_chemical_formula_weight         963.32
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.219(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   39.570(7)
_cell_length_b                   14.850(3)
_cell_length_c                   15.684(3)
_cell_measurement_temperature    173(2)
_cell_volume                     9162(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      173(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0685
_diffrn_reflns_av_sigmaI/netI    0.0793
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22429
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    0.535
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3952
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.568
_refine_diff_density_min         -0.685
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     671
_refine_ls_number_reflns         8007
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0795
_refine_ls_R_factor_gt           0.0727
_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)+(0.1401P)²+16.9687P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2030
_refine_ls_wR_factor_ref         0.2105
_reflns_number_gt                7031
_reflns_number_total             8007
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300566x_si_002.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4506510
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.14794(13) 0.3370(4) 0.3236(3) 0.0359(12) Uani 1 1 d . . .
H1 H 0.1383 0.3569 0.3732 0.043 Uiso 1 1 calc R . .
C2 C 0.13717(13) 0.3742(4) 0.2440(3) 0.0348(11) Uani 1 1 d . . .
H2 H 0.1203 0.4200 0.2410 0.042 Uiso 1 1 calc R . .
C3 C 0.17285(19) 0.2852(4) 0.1780(4) 0.0571(19) Uani 1 1 d . . .
H3 H 0.1817 0.2662 0.1270 0.069 Uiso 1 1 calc R . .
C4 C 0.1853(2) 0.2445(5) 0.2545(4) 0.068(2) Uani 1 1 d . . .
H4 H 0.2023 0.1992 0.2554 0.082 Uiso 1 1 calc R . .
C5 C 0.17271(14) 0.2710(3) 0.3304(3) 0.0346(12) Uani 1 1 d . . .
C6 C 0.18730(14) 0.2315(3) 0.4136(3) 0.0360(12) Uani 1 1 d . . .
N11 N 0.21433(11) 0.1774(3) 0.4091(3) 0.0333(10) Uani 1 1 d . . .
C8 C 0.22934(13) 0.1433(3) 0.4836(3) 0.0324(11) Uani 1 1 d . . .
C9 C 0.25979(15) 0.0851(3) 0.4756(4) 0.0355(13) Uani 1 1 d . . .
C10 C 0.26999(17) 0.0651(5) 0.3969(4) 0.0546(17) Uani 1 1 d . . .
H10 H 0.2572 0.0856 0.3458 0.065 Uiso 1 1 calc R . .
C11 C 0.29945(17) 0.0142(5) 0.3931(4) 0.0549(18) Uani 1 1 d . . .
H11 H 0.3057 -0.0010 0.3382 0.066 Uiso 1 1 calc R . .
C12 C 0.30917(14) 0.0061(4) 0.5374(4) 0.0419(13) Uani 1 1 d . . .
H12 H 0.3228 -0.0140 0.5874 0.050 Uiso 1 1 calc R . .
C13 C 0.28032(14) 0.0543(4) 0.5477(3) 0.0385(12) Uani 1 1 d . . .
H13 H 0.2743 0.0666 0.6036 0.046 Uiso 1 1 calc R . .
C14 C 0.21775(14) 0.1610(4) 0.5621(3) 0.0375(12) Uani 1 1 d . . .
H14 H 0.2290 0.1352 0.6129 0.045 Uiso 1 1 calc R . .
C15 C 0.18998(14) 0.2158(4) 0.5667(3) 0.0346(12) Uani 1 1 d . A .
C16 C 0.17398(14) 0.2507(4) 0.4896(3) 0.0360(12) Uani 1 1 d . . .
H16 H 0.1542 0.2872 0.4896 0.043 Uiso 1 1 calc R . .
C17 C 0.17855(15) 0.2401(4) 0.6519(3) 0.0365(12) Uani 1 1 d . . .
C20 C 0.15882(13) 0.2913(3) 0.8105(3) 0.0323(11) Uani 1 1 d . . .
C21 C 0.14845(14) 0.3209(3) 0.8954(3) 0.0349(12) Uani 1 1 d . . .
C18 C 0.2015(3) 0.2329(10) 0.7261(7) 0.066(3) Uani 0.67 1 d P A 1
H18 H 0.2238 0.2104 0.7223 0.079 Uiso 0.67 1 calc PR A 1
C19 C 0.1920(3) 0.2585(9) 0.8051(7) 0.059(3) Uani 0.67 1 d P A 1
H19 H 0.2076 0.2539 0.8553 0.071 Uiso 0.67 1 calc PR A 1
C22 C 0.1372(3) 0.3017(9) 0.7370(8) 0.050(3) Uani 0.67 1 d P A 1
H22 H 0.1154 0.3277 0.7395 0.060 Uiso 0.67 1 calc PR A 1
C23 C 0.1470(3) 0.2743(9) 0.6584(7) 0.049(3) Uani 0.67 1 d P A 1
H23 H 0.1314 0.2796 0.6082 0.058 Uiso 0.67 1 calc PR A 1
C19' C 0.1744(4) 0.2082(10) 0.8013(9) 0.024(3) Uani 0.33 1 d P A 2
H19' H 0.1784 0.1688 0.8491 0.029 Uiso 0.33 1 calc PR A 2
C18' C 0.1841(4) 0.1831(10) 0.7223(10) 0.028(3) Uani 0.33 1 d P A 2
H18' H 0.1946 0.1264 0.7162 0.034 Uiso 0.33 1 calc PR A 2
C22' C 0.1471(4) 0.3392(12) 0.7366(13) 0.019(4) Uani 0.33 1 d P A 2
H22' H 0.1319 0.3884 0.7400 0.023 Uiso 0.33 1 calc PR A 2
C23' C 0.1575(4) 0.3149(12) 0.6583(11) 0.022(4) Uani 0.33 1 d P A 2
H23' H 0.1503 0.3493 0.6085 0.026 Uiso 0.33 1 calc PR A 2
C24 C 0.04165(15) 0.2226(3) 0.1162(4) 0.0368(12) Uani 1 1 d . . .
H24 H 0.0249 0.2286 0.1549 0.044 Uiso 1 1 calc R . .
C25 C 0.06196(14) 0.2951(3) 0.1002(4) 0.0345(12) Uani 1 1 d . . .
H25 H 0.0587 0.3502 0.1289 0.041 Uiso 1 1 calc R . .
C26 C 0.08962(15) 0.2134(4) 0.0058(4) 0.0408(13) Uani 1 1 d . . .
H26 H 0.1060 0.2095 -0.0340 0.049 Uiso 1 1 calc R . .
C27 C 0.07050(14) 0.1380(3) 0.0193(3) 0.0362(12) Uani 1 1 d . . .
H27 H 0.0742 0.0836 -0.0101 0.043 Uiso 1 1 calc R . .
C28 C 0.04579(13) 0.1418(3) 0.0760(3) 0.0296(10) Uani 1 1 d . . .
C29 C 0.02663(13) 0.0596(3) 0.0961(3) 0.0280(10) Uani 1 1 d . . .
C30 C 0.03962(12) -0.0251(3) 0.0828(3) 0.0277(10) Uani 1 1 d . . .
H30 H 0.0604 -0.0309 0.0581 0.033 Uiso 1 1 calc R . .
C31 C 0.02260(14) -0.1012(3) 0.1051(3) 0.0291(11) Uani 1 1 d . . .
C32 C -0.00837(14) -0.0892(3) 0.1396(3) 0.0285(11) Uani 1 1 d . . .
H32 H -0.0207 -0.1400 0.1559 0.034 Uiso 1 1 calc R . .
C33 C -0.02088(12) -0.0031(3) 0.1499(3) 0.0280(10) Uani 1 1 d . . .
N12 N -0.00297(11) 0.0712(3) 0.1288(3) 0.0314(9) Uani 1 1 d . . .
C35 C -0.05384(13) 0.0119(4) 0.1828(3) 0.0334(11) Uani 1 1 d . . .
C36 C -0.07513(16) -0.0587(5) 0.2023(4) 0.0514(15) Uani 1 1 d . . .
H36 H -0.0688 -0.1197 0.1948 0.062 Uiso 1 1 calc R . .
C37 C -0.10566(19) -0.0371(6) 0.2330(6) 0.074(2) Uani 1 1 d . . .
H37 H -0.1198 -0.0854 0.2470 0.088 Uiso 1 1 calc R . .
C38 C -0.09607(19) 0.1118(6) 0.2266(6) 0.069(2) Uani 1 1 d . . .
H38 H -0.1032 0.1719 0.2349 0.083 Uiso 1 1 calc R . .
C39 C -0.06509(17) 0.0993(4) 0.1972(4) 0.0476(15) Uani 1 1 d . . .
H39 H -0.0513 0.1497 0.1866 0.057 Uiso 1 1 calc R . .
C40 C 0.03726(12) -0.1916(3) 0.0924(3) 0.0284(10) Uani 1 1 d . . .
C41 C 0.05301(14) -0.2089(4) 0.0185(3) 0.0366(12) Uani 1 1 d . . .
H41 H 0.0529 -0.1641 -0.0247 0.044 Uiso 1 1 calc R . .
C42 C 0.06874(14) -0.2904(3) 0.0077(3) 0.0360(12) Uani 1 1 d . . .
H42 H 0.0792 -0.3015 -0.0431 0.043 Uiso 1 1 calc R . .
C43 C 0.06936(12) -0.3562(3) 0.0705(3) 0.0295(11) Uani 1 1 d . . .
C44 C 0.08928(13) -0.4418(3) 0.0608(3) 0.0314(11) Uani 1 1 d . . .
C45 C 0.05309(13) -0.3410(3) 0.1433(4) 0.0354(12) Uani 1 1 d . . .
H45 H 0.0527 -0.3868 0.1855 0.043 Uiso 1 1 calc R . .
C46 C 0.03735(13) -0.2589(3) 0.1546(3) 0.0338(12) Uani 1 1 d . . .
H46 H 0.0266 -0.2484 0.2050 0.041 Uiso 1 1 calc R . .
C47 C 0.06012(17) 0.4396(5) 0.3212(4) 0.0523(16) Uani 1 1 d . . .
H47 H 0.0803 0.4721 0.3141 0.063 Uiso 1 1 calc R . .
C48 C 0.00455(17) 0.4367(5) 0.3732(5) 0.0592(18) Uani 1 1 d . . .
H48A H -0.0010 0.3897 0.3300 0.089 Uiso 1 1 calc R . .
H48B H -0.0142 0.4801 0.3710 0.089 Uiso 1 1 calc R . .
H48C H 0.0079 0.4092 0.4303 0.089 Uiso 1 1 calc R . .
C49 C 0.04102(19) 0.5738(5) 0.3886(6) 0.068(2) Uani 1 1 d . . .
H49A H 0.0381 0.5749 0.4498 0.103 Uiso 1 1 calc R . .
H49B H 0.0245 0.6146 0.3576 0.103 Uiso 1 1 calc R . .
H49C H 0.0641 0.5934 0.3805 0.103 Uiso 1 1 calc R . .
Cd1 Cd 0.127495(8) 0.40813(2) 0.03880(2) 0.02391(18) Uani 1 1 d . . .
N5 N 0.14932(11) 0.3489(3) 0.1717(3) 0.0318(9) Uani 1 1 d . . .
N6 N 0.31922(11) -0.0144(3) 0.4614(3) 0.0376(10) Uani 1 1 d . . .
N7 N 0.08612(11) 0.2913(3) 0.0461(3) 0.0291(9) Uani 1 1 d . . .
N8 N -0.11661(16) 0.0463(6) 0.2443(5) 0.085(2) Uani 1 1 d . . .
N9 N 0.03558(12) 0.4827(4) 0.3557(3) 0.0476(12) Uani 1 1 d . . .
O1 O 0.12519(9) 0.3795(3) 0.8949(2) 0.0330(8) Uani 1 1 d . . .
O2 O 0.16384(11) 0.2896(3) 0.9632(2) 0.0491(11) Uani 1 1 d . . .
O3 O 0.08879(10) -0.5017(2) 0.1173(3) 0.0405(9) Uani 1 1 d . . .
O4 O 0.10589(10) -0.4491(3) -0.0029(3) 0.0443(10) Uani 1 1 d . . .
O5 O 0.05861(14) 0.3621(4) 0.2981(3) 0.0706(14) Uani 1 1 d . . .
C50 C 0.2225(15) 0.124(4) 0.048(4) 0.28(2) Uani 0.58 1 d P B 1
H50A H 0.2423 0.1291 0.0916 0.420 Uiso 0.58 1 d PR B 1
H50B H 0.2129 0.1841 0.0359 0.420 Uiso 0.58 1 d PR B 1
H50C H 0.2297 0.0981 -0.0043 0.420 Uiso 0.58 1 d PR B 1
N10 N 0.1969(10) 0.068(2) 0.081(3) 0.156(10) Uani 0.58 1 d P B 1
C51 C 0.165(3) 0.064(7) 0.028(7) 0.28(5) Uani 0.58 1 d P B 1
H51A H 0.1658 0.1032 -0.0216 0.420 Uiso 0.58 1 d PR B 1
H51B H 0.1465 0.0823 0.0607 0.420 Uiso 0.58 1 d PR B 1
H51C H 0.1615 0.0014 0.0088 0.420 Uiso 0.58 1 d PR B 1
C52 C 0.2030(16) 0.025(4) 0.158(4) 0.25(2) Uani 0.58 1 d P B 1
H52 H 0.1858 -0.0098 0.1806 0.303 Uiso 0.58 1 calc PR B 1
O6 O 0.2317(5) 0.0328(12) 0.1983(10) 0.120(5) Uani 0.58 1 d P B 1
C50' C 0.1642(16) 0.034(4) 0.097(3) 0.151(16) Uani 0.42 1 d P C 2
H50D H 0.1421 0.0268 0.1190 0.226 Uiso 0.42 1 d PR C 2
H50E H 0.1721 0.0963 0.1065 0.226 Uiso 0.42 1 d PR C 2
H50F H 0.1807 -0.0073 0.1269 0.226 Uiso 0.42 1 d PR C 2
N10' N 0.1604(17) 0.016(4) 0.005(4) 0.149(17) Uani 0.42 1 d P C 2
C51' C 0.1834(13) 0.068(3) -0.042(3) 0.163(17) Uani 0.42 1 d P C 2
H51D H 0.1716 0.1163 -0.0749 0.245 Uiso 0.42 1 d PR C 2
H51E H 0.1936 0.0265 -0.0807 0.245 Uiso 0.42 1 d PR C 2
H51F H 0.2014 0.0931 -0.0008 0.245 Uiso 0.42 1 d PR C 2
C52' C 0.1357(15) -0.034(3) -0.033(3) 0.159(15) Uani 0.42 1 d P C 2
H52' H 0.1316 -0.0451 -0.0925 0.191 Uiso 0.42 1 calc PR C 2
O6' O 0.1191(7) -0.0633(19) 0.0218(19) 0.138(8) Uani 0.42 1 d P C 2
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
C5 C1 C2 119.8(5) . .
C5 C1 H1 120.1 . .
C2 C1 H1 120.1 . .
N5 C2 C1 123.2(5) . .
N5 C2 H2 118.4 . .
C1 C2 H2 118.4 . .
N5 C3 C4 124.0(5) . .
N5 C3 H3 118.0 . .
C4 C3 H3 118.0 . .
C3 C4 C5 119.2(5) . .
C3 C4 H4 120.4 . .
C5 C4 H4 120.4 . .
C1 C5 C4 116.8(5) . .
C1 C5 C6 123.5(4) . .
C4 C5 C6 119.7(5) . .
N11 C6 C16 123.2(5) . .
N11 C6 C5 115.1(4) . .
C16 C6 C5 121.7(5) . .
C6 N11 C8 117.1(4) . .
N11 C8 C14 122.8(5) . .
N11 C8 C9 115.2(4) . .
C14 C8 C9 122.0(5) . .
C10 C9 C13 117.1(5) . .
C10 C9 C8 121.1(5) . .
C13 C9 C8 121.6(5) . .
C9 C10 C11 118.9(6) . .
C9 C10 H10 120.6 . .
C11 C10 H10 120.6 . .
N6 C11 C10 124.2(5) . .
N6 C11 H11 117.9 . .
C10 C11 H11 117.9 . .
N6 C12 C13 123.9(5) . .
N6 C12 H12 118.1 . .
C13 C12 H12 118.1 . .
C12 C13 C9 119.6(5) . .
C12 C13 H13 120.2 . .
C9 C13 H13 120.2 . .
C15 C14 C8 120.1(5) . .
C15 C14 H14 119.9 . .
C8 C14 H14 119.9 . .
C14 C15 C16 117.6(5) . .
C14 C15 C17 120.6(5) . .
C16 C15 C17 121.8(4) . .
C6 C16 C15 119.2(5) . .
C6 C16 H16 120.4 . .
C15 C16 H16 120.4 . .
C23 C17 C18' 103.6(9) . .
C23 C17 C23' 30.7(6) . .
C18' C17 C23' 118.1(10) . .
C23 C17 C18 118.9(7) . .
C18' C17 C18 42.4(8) . .
C23' C17 C18 109.8(9) . .
C23 C17 C15 121.6(6) . .
C18' C17 C15 121.6(7) . .
C23' C17 C15 119.6(8) . .
C18 C17 C15 119.4(6) . .
C22 C20 C19' 104.9(9) . .
C22 C20 C22' 28.5(6) . .
C19' C20 C22' 118.4(10) . .
C22 C20 C19 119.3(8) . .
C19' C20 C19 42.5(7) . .
C22' C20 C19 110.8(9) . .
C22 C20 C21 120.6(7) . .
C19' C20 C21 121.1(7) . .
C22' C20 C21 119.3(8) . .
C19 C20 C21 120.0(6) . .
O2 C21 O1 123.0(4) . .
O2 C21 C20 119.3(5) . .
O1 C21 C20 117.7(5) . .
C19 C18 C17 120.4(9) . .
C19 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C18 C19 C20 119.5(9) . .
C18 C19 H19 120.2 . .
C20 C19 H19 120.2 . .
C20 C22 C23 120.2(10) . .
C20 C22 H22 119.9 . .
C23 C22 H22 119.9 . .
C17 C23 C22 121.5(10) . .
C17 C23 H23 119.3 . .
C22 C23 H23 119.3 . .
C18' C19' C20 119.8(11) . .
C18' C19' H19' 120.1 . .
C20 C19' H19' 120.1 . .
C19' C18' C17 120.8(12) . .
C19' C18' H18' 119.6 . .
C17 C18' H18' 119.6 . .
C23' C22' C20 120.0(15) . .
C23' C22' H22' 120.0 . .
C20 C22' H22' 120.0 . .
C22' C23' C17 120.5(15) . .
C22' C23' H23' 119.8 . .
C17 C23' H23' 119.8 . .
C28 C24 C25 119.7(5) . .
C28 C24 H24 120.1 . .
C25 C24 H24 120.1 . .
N7 C25 C24 123.3(4) . .
N7 C25 H25 118.4 . .
C24 C25 H25 118.4 . .
N7 C26 C27 123.0(5) . .
N7 C26 H26 118.5 . .
C27 C26 H26 118.5 . .
C26 C27 C28 120.0(5) . .
C26 C27 H27 120.0 . .
C28 C27 H27 120.0 . .
C24 C28 C27 117.1(5) . .
C24 C28 C29 122.0(4) . .
C27 C28 C29 120.7(4) . .
N12 C29 C30 121.9(4) . .
N12 C29 C28 117.5(4) . .
C30 C29 C28 120.5(4) . .
C31 C30 C29 120.4(4) . .
C31 C30 H30 119.8 . .
C29 C30 H30 119.8 . .
C30 C31 C32 117.7(4) . .
C30 C31 C40 119.8(4) . .
C32 C31 C40 122.5(4) . .
C33 C32 C31 119.9(4) . .
C33 C32 H32 120.0 . .
C31 C32 H32 120.0 . .
N12 C33 C32 120.9(4) . .
N12 C33 C35 117.7(4) . .
C32 C33 C35 121.4(5) . .
C29 N12 C33 119.1(4) . .
C39 C35 C36 116.8(5) . .
C39 C35 C33 120.4(5) . .
C36 C35 C33 122.8(5) . .
C37 C36 C35 118.0(6) . .
C37 C36 H36 121.0 . .
C35 C36 H36 121.0 . .
N8 C37 C36 124.8(7) . .
N8 C37 H37 117.6 . .
C36 C37 H37 117.6 . .
N8 C38 C39 124.6(7) . .
N8 C38 H38 117.7 . .
C39 C38 H38 117.7 . .
C38 C39 C35 119.5(7) . .
C38 C39 H39 120.3 . .
C35 C39 H39 120.3 . .
C46 C40 C41 118.7(4) . .
C46 C40 C31 121.6(4) . .
C41 C40 C31 119.6(4) . .
C42 C41 C40 120.8(5) . .
C42 C41 H41 119.6 . .
C40 C41 H41 119.6 . .
C41 C42 C43 120.3(5) . .
C41 C42 H42 119.9 . .
C43 C42 H42 119.9 . .
C42 C43 C45 119.8(4) . .
C42 C43 C44 119.4(5) . .
C45 C43 C44 120.8(5) . .
O3 C44 O4 123.2(5) . .
O3 C44 C43 118.4(5) . .
O4 C44 C43 118.4(5) . .
O3 C44 Cd1 64.2(3) . 1_545
O4 C44 Cd1 59.1(3) . 1_545
C43 C44 Cd1 177.1(4) . 1_545
C43 C45 C46 120.1(5) . .
C43 C45 H45 120.0 . .
C46 C45 H45 120.0 . .
C45 C46 C40 120.4(5) . .
C45 C46 H46 119.8 . .
C40 C46 H46 119.8 . .
O5 C47 N9 124.6(7) . .
O5 C47 H47 117.7 . .
N9 C47 H47 117.7 . .
N9 C48 H48A 109.5 . .
N9 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
N9 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
N9 C49 H49A 109.5 . .
N9 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
N9 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
O1 Cd1 N5 141.26(14) 1_554 .
O1 Cd1 O4 85.36(14) 1_554 1_565
N5 Cd1 O4 132.41(14) . 1_565
O1 Cd1 N7 87.60(14) 1_554 .
N5 Cd1 N7 82.73(15) . .
O4 Cd1 N7 115.85(14) 1_565 .
O1 Cd1 N6 91.67(14) 1_554 4
N5 Cd1 N6 86.67(15) . 4
O4 Cd1 N6 81.98(15) 1_565 4
N7 Cd1 N6 162.00(15) . 4
O1 Cd1 O3 129.32(13) 1_554 1_565
N5 Cd1 O3 87.06(13) . 1_565
O4 Cd1 O3 54.65(13) 1_565 1_565
N7 Cd1 O3 84.54(13) . 1_565
N6 Cd1 O3 109.48(14) 4 1_565
O1 Cd1 O2 52.96(12) 1_554 1_554
N5 Cd1 O2 89.00(13) . 1_554
O4 Cd1 O2 132.62(13) 1_565 1_554
N7 Cd1 O2 86.95(14) . 1_554
N6 Cd1 O2 78.33(15) 4 1_554
O3 Cd1 O2 171.01(13) 1_565 1_554
O1 Cd1 C44 108.18(15) 1_554 1_565
N5 Cd1 C44 110.48(15) . 1_565
O4 Cd1 C44 27.31(15) 1_565 1_565
N7 Cd1 C44 101.18(14) . 1_565
N6 Cd1 C44 96.15(15) 4 1_565
O3 Cd1 C44 27.35(14) 1_565 1_565
O2 Cd1 C44 159.56(15) 1_554 1_565
C3 N5 C2 117.0(5) . .
C3 N5 Cd1 121.6(3) . .
C2 N5 Cd1 121.3(3) . .
C11 N6 C12 116.3(5) . .
C11 N6 Cd1 126.4(3) . 4_545
C12 N6 Cd1 117.2(4) . 4_545
C26 N7 C25 116.8(4) . .
C26 N7 Cd1 120.0(3) . .
C25 N7 Cd1 122.4(3) . .
C38 N8 C37 116.2(6) . .
C47 N9 C49 120.4(6) . .
C47 N9 C48 121.3(6) . .
C49 N9 C48 117.7(5) . .
C21 O1 Cd1 99.8(3) . 1_556
C21 O2 Cd1 84.0(3) . 1_556
C44 O3 Cd1 88.5(3) . 1_545
C44 O4 Cd1 93.6(3) . 1_545
N10 C50 H50A 109.5 . .
N10 C50 H50B 108.4 . .
H50A C50 H50B 109.5 . .
N10 C50 H50C 110.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
N10 C50 H51F 61.8 . .
H50A C50 H51F 161.0 . .
H50B C50 H51F 89.5 . .
H50C C50 H51F 62.7 . .
C52 N10 C51 123(7) . .
C52 N10 C50 121(5) . .
C51 N10 C50 115(6) . .
C52 N10 H50E 86.5 . .
C51 N10 H50E 60.0 . .
C50 N10 H50E 124.2 . .
C52 N10 H50F 43.5 . .
C51 N10 H50F 81.3 . .
C50 N10 H50F 160.6 . .
H50E N10 H50F 71.9 . .
C52 N10 H51F 158.4 . .
C51 N10 H51F 70.3 . .
C50 N10 H51F 49.0 . .
H50E N10 H51F 115.0 . .
H50F N10 H51F 138.8 . .
N10 C51 H51A 109.6 . .
N10 C51 H51B 110.4 . .
H51A C51 H51B 109.5 . .
N10 C51 H51C 108.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
N10 C51 H50E 50.3 . .
H51A C51 H50E 120.1 . .
H51B C51 H50E 60.5 . .
H51C C51 H50E 130.1 . .
O6 C52 N10 118(6) . .
O6 C52 H52 121.1 . .
N10 C52 H52 121.1 . .
O6 C52 H50F 158.8 . .
N10 C52 H50F 75.3 . .
H52 C52 H50F 48.9 . .
N10' C50' H51B 67.7 . .
N10' C50' H51C 9.0 . .
H51B C50' H51C 75.6 . .
N10' C50' H50D 109.1 . .
H51B C50' H50D 73.5 . .
H51C C50' H50D 108.6 . .
N10' C50' H50E 108.8 . .
H51B C50' H50E 69.4 . .
H51C C50' H50E 116.7 . .
H50D C50' H50E 109.5 . .
N10' C50' H50F 110.5 . .
H51B C50' H50F 177.0 . .
H51C C50' H50F 102.8 . .
H50D C50' H50F 109.5 . .
H50E C50' H50F 109.5 . .
C52' N10' C51' 123(6) . .
C52' N10' C50' 123(6) . .
C51' N10' C50' 114(5) . .
C52' N10' H51A 121.7 . .
C51' N10' H51A 39.4 . .
C50' N10' H51A 97.1 . .
C52' N10' H51B 109.8 . .
C51' N10' H51B 104.2 . .
C50' N10' H51B 44.8 . .
H51A N10' H51B 68.4 . .
C52' N10' H51C 71.7 . .
C51' N10' H51C 121.9 . .
C50' N10' H51C 85.3 . .
H51A N10' H51C 160.1 . .
H51B N10' H51C 123.5 . .
N10' C51' H51A 66.6 . .
N10' C51' H51C 7.1 . .
H51A C51' H51C 73.6 . .
N10' C51' H51D 111.6 . .
H51A C51' H51D 56.2 . .
H51C C51' H51D 117.9 . .
N10' C51' H51E 107.9 . .
H51A C51' H51E 155.9 . .
H51C C51' H51E 102.0 . .
H51D C51' H51E 109.5 . .
N10' C51' H51F 108.9 . .
H51A C51' H51F 94.2 . .
H51C C51' H51F 108.1 . .
H51D C51' H51F 109.5 . .
H51E C51' H51F 109.5 . .
O6' C52' N10' 109(5) . .
O6' C52' H51C 104.9 . .
N10' C52' H51C 10.0 . .
O6' C52' H52' 125.6 . .
N10' C52' H52' 125.6 . .
H51C C52' H52' 128.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C5 1.382(7) .
C1 C2 1.388(7) .
C1 H1 0.9500 .
C2 N5 1.334(6) .
C2 H2 0.9500 .
C3 N5 1.323(7) .
C3 C4 1.386(8) .
C3 H3 0.9500 .
C4 C5 1.396(7) .
C4 H4 0.9500 .
C5 C6 1.490(7) .
C6 N11 1.346(6) .
C6 C16 1.385(7) .
N11 C8 1.351(7) .
C8 C14 1.385(7) .
C8 C9 1.499(7) .
C9 C10 1.373(8) .
C9 C13 1.397(8) .
C10 C11 1.396(8) .
C10 H10 0.9500 .
C11 N6 1.325(8) .
C11 H11 0.9500 .
C12 N6 1.332(7) .
C12 C13 1.372(7) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C15 1.376(7) .
C14 H14 0.9500 .
C15 C16 1.402(7) .
C15 C17 1.501(7) .
C16 H16 0.9500 .
C17 C23 1.360(12) .
C17 C18' 1.389(15) .
C17 C23' 1.398(19) .
C17 C18 1.400(12) .
C20 C22 1.369(14) .
C20 C19' 1.395(14) .
C20 C22' 1.40(2) .
C20 C19 1.410(11) .
C20 C21 1.500(7) .
C21 O2 1.257(7) .
C21 O1 1.266(6) .
C18 C19 1.388(14) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C22 C23 1.393(17) .
C22 H22 0.9500 .
C23 H23 0.9500 .
C19' C18' 1.39(2) .
C19' H19' 0.9500 .
C18' H18' 0.9500 .
C22' C23' 1.39(3) .
C22' H22' 0.9500 .
C23' H23' 0.9500 .
C24 C28 1.374(7) .
C24 C25 1.382(7) .
C24 H24 0.9500 .
C25 N7 1.347(6) .
C25 H25 0.9500 .
C26 N7 1.333(6) .
C26 C27 1.379(7) .
C26 H26 0.9500 .
C27 C28 1.393(7) .
C27 H27 0.9500 .
C28 C29 1.489(7) .
C29 N12 1.340(6) .
C29 C30 1.383(7) .
C30 C31 1.380(7) .
C30 H30 0.9500 .
C31 C32 1.404(7) .
C31 C40 1.485(7) .
C32 C33 1.387(7) .
C32 H32 0.9500 .
C33 N12 1.370(6) .
C33 C35 1.471(7) .
C35 C39 1.399(7) .
C35 C36 1.399(8) .
C36 C37 1.386(9) .
C36 H36 0.9500 .
C37 N8 1.330(11) .
C37 H37 0.9500 .
C38 N8 1.315(11) .
C38 C39 1.368(10) .
C38 H38 0.9500 .
C39 H39 0.9500 .
C40 C46 1.397(7) .
C40 C41 1.397(7) .
C41 C42 1.380(7) .
C41 H41 0.9500 .
C42 C43 1.385(7) .
C42 H42 0.9500 .
C43 C45 1.390(7) .
C43 C44 1.513(7) .
C44 O3 1.257(6) .
C44 O4 1.257(6) .
C44 Cd1 2.736(5) 1_545
C45 C46 1.390(7) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C47 O5 1.207(9) .
C47 N9 1.326(8) .
C47 H47 0.9500 .
C48 N9 1.457(8) .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 N9 1.456(9) .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C49 H49C 0.9800 .
Cd1 O1 2.288(4) 1_554
Cd1 N5 2.340(4) .
Cd1 O4 2.351(4) 1_565
Cd1 N7 2.396(4) .
Cd1 N6 2.403(4) 4
Cd1 O3 2.463(4) 1_565
Cd1 O2 2.635(4) 1_554
Cd1 C44 2.735(5) 1_565
N6 Cd1 2.403(4) 4_545
O1 Cd1 2.288(4) 1_556
O2 Cd1 2.635(4) 1_556
O3 Cd1 2.463(4) 1_545
O4 Cd1 2.352(4) 1_545
C50 N10 1.45(6) .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
N10 C52 1.37(6) .
N10 C51 1.43(11) .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C52 O6 1.24(6) .
C52 H52 0.9500 .
C50' N10' 1.46(9) .
C50' H50D 0.9800 .
C50' H50E 0.9800 .
C50' H50F 0.9800 .
N10' C52' 1.31(7) .
N10' C51' 1.45(9) .
N10' H51C 0.2303 .
C51' H51A 0.9550 .
C51' H51D 0.9800 .
C51' H51E 0.9800 .
C51' H51F 0.9800 .
C52' O6' 1.21(5) .
C52' H52' 0.9500 .
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
C5 C1 C2 N5 0.7(9) . .
N5 C3 C4 C5 0.1(13) . .
C2 C1 C5 C4 -0.8(9) . .
C2 C1 C5 C6 176.1(5) . .
C3 C4 C5 C1 0.4(11) . .
C3 C4 C5 C6 -176.6(7) . .
C1 C5 C6 N11 -171.2(5) . .
C4 C5 C6 N11 5.6(9) . .
C1 C5 C6 C16 8.0(9) . .
C4 C5 C6 C16 -175.3(7) . .
C16 C6 N11 C8 -2.1(8) . .
C5 C6 N11 C8 177.1(5) . .
C6 N11 C8 C14 0.9(8) . .
C6 N11 C8 C9 -178.7(5) . .
N11 C8 C9 C10 -3.3(8) . .
C14 C8 C9 C10 177.1(6) . .
N11 C8 C9 C13 172.1(5) . .
C14 C8 C9 C13 -7.5(8) . .
C13 C9 C10 C11 1.4(10) . .
C8 C9 C10 C11 177.0(6) . .
C9 C10 C11 N6 -2.3(12) . .
N6 C12 C13 C9 -0.3(10) . .
C10 C9 C13 C12 -0.2(9) . .
C8 C9 C13 C12 -175.8(5) . .
N11 C8 C14 C15 -0.5(9) . .
C9 C8 C14 C15 179.1(5) . .
C8 C14 C15 C16 1.2(8) . .
C8 C14 C15 C17 -176.1(5) . .
N11 C6 C16 C15 2.8(9) . .
C5 C6 C16 C15 -176.3(5) . .
C14 C15 C16 C6 -2.3(8) . .
C17 C15 C16 C6 175.0(5) . .
C14 C15 C17 C23 -163.2(8) . .
C16 C15 C17 C23 19.6(11) . .
C14 C15 C17 C18' -28.6(12) . .
C16 C15 C17 C18' 154.2(10) . .
C14 C15 C17 C23' 161.0(9) . .
C16 C15 C17 C23' -16.1(12) . .
C14 C15 C17 C18 20.9(10) . .
C16 C15 C17 C18 -156.3(9) . .
C22 C20 C21 O2 160.6(8) . .
C19' C20 C21 O2 25.8(11) . .
C22' C20 C21 O2 -166.5(9) . .
C19 C20 C21 O2 -23.9(10) . .
C22 C20 C21 O1 -22.2(10) . .
C19' C20 C21 O1 -156.9(9) . .
C22' C20 C21 O1 10.8(10) . .
C19 C20 C21 O1 153.3(8) . .
C23 C17 C18 C19 1.4(18) . .
C18' C17 C18 C19 -76.7(15) . .
C23' C17 C18 C19 33.7(17) . .
C15 C17 C18 C19 177.4(11) . .
C17 C18 C19 C20 0(2) . .
C22 C20 C19 C18 -3.3(17) . .
C19' C20 C19 C18 76.5(15) . .
C22' C20 C19 C18 -33.3(16) . .
C21 C20 C19 C18 -178.8(10) . .
C19' C20 C22 C23 -39.1(15) . .
C22' C20 C22 C23 84(2) . .
C19 C20 C22 C23 4.4(17) . .
C21 C20 C22 C23 179.9(10) . .
C18' C17 C23 C22 42.4(16) . .
C23' C17 C23 C22 -80(2) . .
C18 C17 C23 C22 -0.3(18) . .
C15 C17 C23 C22 -176.2(10) . .
C20 C22 C23 C17 -3(2) . .
C22 C20 C19' C18' 40.0(18) . .
C22' C20 C19' C18' 13(2) . .
C19 C20 C19' C18' -77.4(16) . .
C21 C20 C19' C18' -179.2(12) . .
C20 C19' C18' C17 0(2) . .
C23 C17 C18' C19' -40.9(19) . .
C23' C17 C18' C19' -12(2) . .
C18 C17 C18' C19' 77.3(18) . .
C15 C17 C18' C19' 177.7(13) . .
C22 C20 C22' C23' -82(3) . .
C19' C20 C22' C23' -15(2) . .
C19 C20 C22' C23' 31.8(18) . .
C21 C20 C22' C23' 177.5(12) . .
C20 C22' C23' C17 3(2) . .
C23 C17 C23' C22' 78(2) . .
C18' C17 C23' C22' 10(2) . .
C18 C17 C23' C22' -35.5(18) . .
C15 C17 C23' C22' -179.1(12) . .
C28 C24 C25 N7 0.2(9) . .
N7 C26 C27 C28 1.2(9) . .
C25 C24 C28 C27 -0.8(8) . .
C25 C24 C28 C29 174.9(5) . .
C26 C27 C28 C24 0.2(8) . .
C26 C27 C28 C29 -175.6(5) . .
C24 C28 C29 N12 24.2(8) . .
C27 C28 C29 N12 -160.2(5) . .
C24 C28 C29 C30 -154.5(5) . .
C27 C28 C29 C30 21.1(8) . .
N12 C29 C30 C31 -1.6(8) . .
C28 C29 C30 C31 177.0(5) . .
C29 C30 C31 C32 1.3(8) . .
C29 C30 C31 C40 -178.5(5) . .
C30 C31 C32 C33 0.2(8) . .
C40 C31 C32 C33 -179.9(5) . .
C31 C32 C33 N12 -1.6(8) . .
C31 C32 C33 C35 177.6(5) . .
C30 C29 N12 C33 0.2(7) . .
C28 C29 N12 C33 -178.5(4) . .
C32 C33 N12 C29 1.4(7) . .
C35 C33 N12 C29 -177.9(4) . .
N12 C33 C35 C39 -4.3(7) . .
C32 C33 C35 C39 176.4(5) . .
N12 C33 C35 C36 176.6(5) . .
C32 C33 C35 C36 -2.7(8) . .
C39 C35 C36 C37 0.9(9) . .
C33 C35 C36 C37 180.0(6) . .
C35 C36 C37 N8 1.0(13) . .
N8 C38 C39 C35 1.0(13) . .
C36 C35 C39 C38 -1.8(10) . .
C33 C35 C39 C38 179.1(6) . .
C30 C31 C40 C46 136.7(5) . .
C32 C31 C40 C46 -43.1(8) . .
C30 C31 C40 C41 -39.8(8) . .
C32 C31 C40 C41 140.3(5) . .
C46 C40 C41 C42 -0.8(8) . .
C31 C40 C41 C42 175.8(5) . .
C40 C41 C42 C43 -0.5(9) . .
C41 C42 C43 C45 2.1(8) . .
C41 C42 C43 C44 -174.8(5) . .
C42 C43 C44 O3 -178.1(5) . .
C45 C43 C44 O3 4.9(7) . .
C42 C43 C44 O4 2.8(7) . .
C45 C43 C44 O4 -174.1(5) . .
C42 C43 C44 Cd1 30(8) . 1_545
C45 C43 C44 Cd1 -147(8) . 1_545
C42 C43 C45 C46 -2.4(8) . .
C44 C43 C45 C46 174.5(5) . .
C43 C45 C46 C40 1.1(8) . .
C41 C40 C46 C45 0.5(8) . .
C31 C40 C46 C45 -176.0(5) . .
C4 C3 N5 C2 -0.2(11) . .
C4 C3 N5 Cd1 -176.5(6) . .
C1 C2 N5 C3 -0.2(9) . .
C1 C2 N5 Cd1 176.1(4) . .
O1 Cd1 N5 C3 14.7(6) 1_554 .
O4 Cd1 N5 C3 -149.7(5) 1_565 .
N7 Cd1 N5 C3 91.7(5) . .
N6 Cd1 N5 C3 -73.8(5) 4 .
O3 Cd1 N5 C3 176.5(5) 1_565 .
O2 Cd1 N5 C3 4.6(5) 1_554 .
C44 Cd1 N5 C3 -169.1(5) 1_565 .
O1 Cd1 N5 C2 -161.4(4) 1_554 .
O4 Cd1 N5 C2 34.1(5) 1_565 .
N7 Cd1 N5 C2 -84.5(4) . .
N6 Cd1 N5 C2 110.1(4) 4 .
O3 Cd1 N5 C2 0.4(4) 1_565 .
O2 Cd1 N5 C2 -171.5(4) 1_554 .
C44 Cd1 N5 C2 14.8(4) 1_565 .
C10 C11 N6 C12 1.7(10) . .
C10 C11 N6 Cd1 -174.8(6) . 4_545
C13 C12 N6 C11 -0.4(9) . .
C13 C12 N6 Cd1 176.4(5) . 4_545
C27 C26 N7 C25 -1.8(9) . .
C27 C26 N7 Cd1 168.2(5) . .
C24 C25 N7 C26 1.1(8) . .
C24 C25 N7 Cd1 -168.6(4) . .
O1 Cd1 N7 C26 45.0(4) 1_554 .
N5 Cd1 N7 C26 -97.4(4) . .
O4 Cd1 N7 C26 128.6(4) 1_565 .
N6 Cd1 N7 C26 -43.0(7) 4 .
O3 Cd1 N7 C26 174.8(4) 1_565 .
O2 Cd1 N7 C26 -8.1(4) 1_554 .
C44 Cd1 N7 C26 153.0(4) 1_565 .
O1 Cd1 N7 C25 -145.7(4) 1_554 .
N5 Cd1 N7 C25 71.9(4) . .
O4 Cd1 N7 C25 -62.0(4) 1_565 .
N6 Cd1 N7 C25 126.3(5) 4 .
O3 Cd1 N7 C25 -15.8(4) 1_565 .
O2 Cd1 N7 C25 161.3(4) 1_554 .
C44 Cd1 N7 C25 -37.6(4) 1_565 .
C39 C38 N8 C37 0.8(14) . .
C36 C37 N8 C38 -1.8(14) . .
O5 C47 N9 C49 174.4(7) . .
O5 C47 N9 C48 3.4(11) . .
O2 C21 O1 Cd1 5.1(6) . 1_556
C20 C21 O1 Cd1 -172.1(4) . 1_556
O1 C21 O2 Cd1 -4.3(5) . 1_556
C20 C21 O2 Cd1 172.8(4) . 1_556
O4 C44 O3 Cd1 0.5(5) . 1_545
C43 C44 O3 Cd1 -178.5(4) . 1_545
O3 C44 O4 Cd1 -0.5(5) . 1_545
C43 C44 O4 Cd1 178.5(4) . 1_545
C51 N10 C52 O6 179(6) . .
C50 N10 C52 O6 -2(7) . .
C51' N10' C52' O6' -175(4) . .
C50' N10' C52' O6' -3(7) . .
