#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/34/4503495.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_4503495
loop_
_publ_author_name
'Li, Shun-Li'
'Lan, Ya-Qian'
'Qin, Jun-Sheng'
'Ma, Jian-Fang'
'Su, Zhong-Min'
_publ_section_title
;
 A (4,8)-Connected Fluorite Topology Framework Based on Mononuclear and
 Dinuclear Metal Centers
;
_journal_issue                   7
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2055
_journal_paper_doi               10.1021/cg701222b
_journal_volume                  8
_journal_year                    2008
_chemical_formula_moiety         'C52 H42 Cd2 N4 O13 '
_chemical_formula_sum            'C52 H42 Cd2 N4 O13'
_chemical_formula_weight         1155.70
_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                96.4920(10)
_cell_angle_beta                 95.5780(10)
_cell_angle_gamma                97.8640(10)
_cell_formula_units_Z            2
_cell_length_a                   9.1330(3)
_cell_length_b                   10.5120(3)
_cell_length_c                   24.7600(7)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.23
_cell_measurement_theta_min      1.67
_cell_volume                     2324.28(12)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.903
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0109
_diffrn_reflns_av_sigmaI/netI    0.0223
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            14335
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.23
_diffrn_reflns_theta_min         1.67
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.988
_exptl_absorpt_correction_T_max  0.743
_exptl_absorpt_correction_T_min  0.708
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1164
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.302
_refine_diff_density_min         -0.522
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     646
_refine_ls_number_reflns         10345
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0246
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0330P)²+0.6374P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0609
_refine_ls_wR_factor_ref         0.0635
_reflns_number_gt                9112
_reflns_number_total             10345
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg701222b-file003.cif
_cod_data_source_block           mm
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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               4503495
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 0.325159(16) 0.983380(14) 0.445894(5) 0.03229(5) Uani 1 1 d .
Cd2 Cd 0.608041(15) 0.677207(13) -0.068889(5) 0.02995(4) Uani 1 1 d .
C1 C 0.3170(2) 1.5580(2) 0.84567(8) 0.0335(4) Uani 1 1 d .
H1 H 0.3900 1.5647 0.8220 0.040 Uiso 1 1 calc R
C2 C 0.1744(2) 1.50236(19) 0.82409(8) 0.0318(4) Uani 1 1 d .
C3 C 0.0659(2) 1.4949(2) 0.85946(9) 0.0394(5) Uani 1 1 d .
H3 H -0.0320 1.4598 0.8465 0.047 Uiso 1 1 calc R
C4 C 0.1048(2) 1.5402(2) 0.91415(9) 0.0452(5) Uani 1 1 d .
H4 H 0.0336 1.5355 0.9386 0.054 Uiso 1 1 calc R
C5 C 0.2501(2) 1.5923(2) 0.93222(8) 0.0404(5) Uani 1 1 d .
H5 H 0.2754 1.6216 0.9693 0.048 Uiso 1 1 calc R
C6 C 0.1382(2) 1.4506(2) 0.76439(8) 0.0416(5) Uani 1 1 d .
H6A H 0.0661 1.3723 0.7597 0.050 Uiso 1 1 calc R
H6B H 0.0968 1.5141 0.7444 0.050 Uiso 1 1 calc R
C7 C 0.2711(2) 1.3584(2) 0.69400(8) 0.0337(4) Uani 1 1 d .
C8 C 0.4064(2) 1.3216(2) 0.68387(8) 0.0371(4) Uani 1 1 d .
H8 H 0.4876 1.3425 0.7107 0.044 Uiso 1 1 calc R
C9 C 0.4215(2) 1.2543(2) 0.63424(8) 0.0355(4) Uani 1 1 d .
H9 H 0.5129 1.2297 0.6278 0.043 Uiso 1 1 calc R
C10 C 0.3015(2) 1.22271(18) 0.59361(7) 0.0303(4) Uani 1 1 d .
C11 C 0.1666(2) 1.2602(2) 0.60432(8) 0.0413(5) Uani 1 1 d .
H11 H 0.0854 1.2397 0.5775 0.050 Uiso 1 1 calc R
C12 C 0.1500(2) 1.3280(2) 0.65453(9) 0.0425(5) Uani 1 1 d .
H12 H 0.0587 1.3523 0.6613 0.051 Uiso 1 1 calc R
C13 C 0.3187(2) 1.14563(19) 0.54064(8) 0.0330(4) Uani 1 1 d .
C14 C -0.3089(2) 0.5937(2) 0.81645(8) 0.0359(4) Uani 1 1 d .
C15 C -0.2447(2) 0.6104(2) 0.76360(7) 0.0322(4) Uani 1 1 d .
C16 C -0.2349(2) 0.5007(2) 0.72803(8) 0.0334(4) Uani 1 1 d .
H16 H -0.2678 0.4193 0.7375 0.040 Uiso 1 1 calc R
C17 C -0.1773(2) 0.5099(2) 0.67889(8) 0.0345(4) Uani 1 1 d .
H17 H -0.1747 0.4357 0.6549 0.041 Uiso 1 1 calc R
C18 C -0.1234(2) 0.6302(2) 0.66556(8) 0.0358(4) Uani 1 1 d .
C19 C -0.1328(3) 0.7421(2) 0.70022(9) 0.0432(5) Uani 1 1 d .
H19 H -0.0985 0.8232 0.6908 0.052 Uiso 1 1 calc R
C20 C -0.1941(2) 0.7309(2) 0.74908(8) 0.0403(5) Uani 1 1 d .
H20 H -0.2012 0.8052 0.7723 0.048 Uiso 1 1 calc R
C21 C 0.0171(3) 0.7480(2) 0.60638(10) 0.0555(7) Uani 1 1 d .
H21A H 0.0861 0.7871 0.6380 0.067 Uiso 1 1 calc R
H21B H -0.0516 0.8079 0.5984 0.067 Uiso 1 1 calc R
C22 C 0.1007(2) 0.7200(2) 0.55797(8) 0.0400(5) Uani 1 1 d .
C23 C 0.1367(3) 0.6001(2) 0.54138(10) 0.0475(5) Uani 1 1 d .
H23 H 0.1084 0.5302 0.5599 0.057 Uiso 1 1 calc R
C24 C 0.2159(3) 0.5849(2) 0.49660(10) 0.0515(6) Uani 1 1 d .
H24 H 0.2385 0.5040 0.4839 0.062 Uiso 1 1 calc R
C25 C 0.2602(2) 0.6908(2) 0.47141(9) 0.0444(5) Uani 1 1 d .
H25 H 0.3147 0.6804 0.4418 0.053 Uiso 1 1 calc R
C26 C 0.1483(2) 0.8214(2) 0.52982(8) 0.0396(5) Uani 1 1 d .
H26 H 0.1234 0.9025 0.5408 0.047 Uiso 1 1 calc R
C27 C 0.4533(3) 1.2671(2) 0.41753(9) 0.0448(5) Uani 1 1 d .
H27 H 0.4241 1.2895 0.4519 0.054 Uiso 1 1 calc R
C28 C 0.5009(3) 1.3648(2) 0.38757(10) 0.0523(6) Uani 1 1 d .
H28 H 0.5049 1.4512 0.4016 0.063 Uiso 1 1 calc R
C29 C 0.5425(3) 1.3315(2) 0.33622(9) 0.0463(5) Uani 1 1 d .
H29 H 0.5748 1.3955 0.3152 0.056 Uiso 1 1 calc R
C30 C 0.5356(2) 1.2029(2) 0.31659(8) 0.0372(4) Uani 1 1 d .
C31 C 0.4894(2) 1.1112(2) 0.34966(8) 0.0376(4) Uani 1 1 d .
H31 H 0.4873 1.0243 0.3369 0.045 Uiso 1 1 calc R
C32 C 0.5681(3) 1.1672(2) 0.25860(9) 0.0479(6) Uani 1 1 d .
H32A H 0.4903 1.1886 0.2332 0.058 Uiso 1 1 calc R
H32B H 0.6617 1.2166 0.2528 0.058 Uiso 1 1 calc R
C33 C 0.5722(2) 0.9806(2) 0.19523(8) 0.0338(4) Uani 1 1 d .
C34 C 0.5866(2) 0.8504(2) 0.18782(8) 0.0360(4) Uani 1 1 d .
H34 H 0.5977 0.8057 0.2180 0.043 Uiso 1 1 calc R
C35 C 0.5842(2) 0.7869(2) 0.13564(8) 0.0348(4) Uani 1 1 d .
H35 H 0.5944 0.6997 0.1309 0.042 Uiso 1 1 calc R
C36 C 0.5667(2) 0.85226(18) 0.09009(7) 0.0296(4) Uani 1 1 d .
C37 C 0.5520(2) 0.9826(2) 0.09816(8) 0.0357(4) Uani 1 1 d .
H37 H 0.5398 1.0271 0.0680 0.043 Uiso 1 1 calc R
C38 C 0.5553(3) 1.0476(2) 0.15035(8) 0.0397(5) Uani 1 1 d .
H38 H 0.5464 1.1351 0.1552 0.048 Uiso 1 1 calc R
C39 C 0.5663(2) 0.78532(19) 0.03363(7) 0.0310(4) Uani 1 1 d .
C40 C -0.0622(2) 0.8334(2) -0.08045(9) 0.0421(5) Uani 1 1 d .
H40 H -0.1067 0.8375 -0.1155 0.050 Uiso 1 1 calc R
C41 C 0.0818(3) 0.8942(2) -0.06550(9) 0.0472(5) Uani 1 1 d .
H41 H 0.1335 0.9377 -0.0902 0.057 Uiso 1 1 calc R
C42 C 0.1483(2) 0.8896(2) -0.01343(9) 0.0419(5) Uani 1 1 d .
H42 H 0.2449 0.9311 -0.0023 0.050 Uiso 1 1 calc R
C43 C 0.0694(2) 0.8226(2) 0.02202(8) 0.0356(4) Uani 1 1 d .
C44 C -0.0747(2) 0.7641(2) 0.00369(8) 0.0368(4) Uani 1 1 d .
H44 H -0.1284 0.7192 0.0275 0.044 Uiso 1 1 calc R
C45 C 0.1350(2) 0.8149(3) 0.07947(8) 0.0456(5) Uani 1 1 d .
H45A H 0.1550 0.7278 0.0831 0.055 Uiso 1 1 calc R
H45B H 0.2277 0.8742 0.0886 0.055 Uiso 1 1 calc R
C46 C 0.0694(2) 0.8591(2) 0.16996(8) 0.0355(4) Uani 1 1 d .
C47 C -0.0310(2) 0.9073(2) 0.20281(9) 0.0425(5) Uani 1 1 d .
H47 H -0.1183 0.9305 0.1869 0.051 Uiso 1 1 calc R
C48 C -0.0012(2) 0.9206(2) 0.25876(8) 0.0394(5) Uani 1 1 d .
H48 H -0.0689 0.9522 0.2806 0.047 Uiso 1 1 calc R
C49 C 0.1298(2) 0.88701(18) 0.28313(8) 0.0313(4) Uani 1 1 d .
C50 C 0.2276(2) 0.8393(2) 0.24987(8) 0.0358(4) Uani 1 1 d .
H50 H 0.3152 0.8168 0.2659 0.043 Uiso 1 1 calc R
C51 C 0.1994(2) 0.8240(2) 0.19331(8) 0.0379(5) Uani 1 1 d .
H51 H 0.2663 0.7909 0.1715 0.046 Uiso 1 1 calc R
C52 C 0.1701(2) 0.90885(19) 0.34391(8) 0.0338(4) Uani 1 1 d .
N1 N 0.22833(19) 0.80884(18) 0.48762(7) 0.0383(4) Uani 1 1 d .
N2 N 0.44739(19) 1.14222(17) 0.39937(6) 0.0370(4) Uani 1 1 d .
N3 N -0.14059(18) 0.76902(16) -0.04676(6) 0.0349(4) Uani 1 1 d .
N4 N 0.35668(18) 1.60283(16) 0.89883(6) 0.0340(4) Uani 1 1 d .
O1 O -0.3256(2) 0.48257(17) 0.83033(7) 0.0559(4) Uani 1 1 d .
O2 O -0.34349(16) 0.69319(15) 0.84343(5) 0.0397(3) Uani 1 1 d .
O3 O -0.06195(19) 0.63017(16) 0.61732(6) 0.0491(4) Uani 1 1 d .
O4 O 0.57617(19) 1.03426(15) 0.24868(6) 0.0447(4) Uani 1 1 d .
O5 O 0.56703(18) 0.66413(14) 0.02677(6) 0.0416(3) Uani 1 1 d .
O6 O 0.56873(17) 0.84991(14) -0.00616(5) 0.0404(3) Uani 1 1 d .
O7 O 0.02913(16) 0.84926(18) 0.11464(6) 0.0468(4) Uani 1 1 d .
O8 O 0.27279(17) 0.85148(15) 0.36345(6) 0.0407(3) Uani 1 1 d .
O9 O 0.10947(18) 0.98629(16) 0.37275(6) 0.0467(4) Uani 1 1 d .
O10 O 0.43729(16) 1.09914(15) 0.53501(6) 0.0411(3) Uani 1 1 d .
O11 O 0.21333(17) 1.12725(17) 0.50252(6) 0.0483(4) Uani 1 1 d .
O12 O 0.27271(16) 1.42414(18) 0.74494(6) 0.0517(4) Uani 1 1 d .
O1W O 0.66897(18) 0.47286(15) -0.06455(6) 0.0452(4) Uani 1 1 d D
H1A H 0.592(2) 0.431(2) -0.0541(9) 0.068 Uiso 1 1 d D
H1B H 0.663(3) 0.455(3) -0.0991(4) 0.068 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'
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
O8 Cd1 N1 88.05(6) . .
O8 Cd1 O11 139.81(5) . .
N1 Cd1 O11 91.68(6) . .
O8 Cd1 N2 87.92(6) . .
N1 Cd1 N2 172.03(6) . .
O11 Cd1 N2 95.84(6) . .
O8 Cd1 O10 165.78(5) . .
N1 Cd1 O10 90.52(6) . .
O11 Cd1 O10 54.36(5) . .
N2 Cd1 O10 91.68(5) . .
O8 Cd1 O10 91.20(5) . 2_676
N1 Cd1 O10 83.75(6) . 2_676
O11 Cd1 O10 128.73(5) . 2_676
N2 Cd1 O10 89.46(6) . 2_676
O10 Cd1 O10 74.58(5) . 2_676
O8 Cd1 O9 53.74(5) . .
N1 Cd1 O9 99.87(6) . .
O11 Cd1 O9 86.90(5) . .
N2 Cd1 O9 83.24(6) . .
O10 Cd1 O9 140.30(5) . .
O10 Cd1 O9 144.26(4) 2_676 .
O8 Cd1 C52 27.33(5) . .
N1 Cd1 C52 97.90(6) . .
O11 Cd1 C52 113.73(6) . .
N2 Cd1 C52 81.52(6) . .
O10 Cd1 C52 165.85(5) . .
O10 Cd1 C52 117.50(5) 2_676 .
O9 Cd1 C52 26.83(5) . .
O8 Cd1 C13 166.69(6) . .
N1 Cd1 C13 89.71(6) . .
O11 Cd1 C13 27.16(5) . .
N2 Cd1 C13 95.76(6) . .
O10 Cd1 C13 27.29(5) . .
O10 Cd1 C13 101.59(5) 2_676 .
O9 Cd1 C13 113.90(5) . .
C52 Cd1 C13 140.71(6) . .
O2 Cd2 O1W 97.09(6) 1_654 .
O2 Cd2 O6 124.93(5) 1_654 .
O1W Cd2 O6 136.33(5) . .
O2 Cd2 N4 89.35(5) 1_654 1_544
O1W Cd2 N4 94.41(6) . 1_544
O6 Cd2 N4 97.14(5) . 1_544
O2 Cd2 N3 83.94(5) 1_654 1_655
O1W Cd2 N3 90.72(6) . 1_655
O6 Cd2 N3 83.26(6) . 1_655
N4 Cd2 N3 172.02(6) 1_544 1_655
O2 Cd2 O5 177.53(5) 1_654 .
O1W Cd2 O5 82.93(5) . .
O6 Cd2 O5 54.56(5) . .
N4 Cd2 O5 93.11(5) 1_544 .
N3 Cd2 O5 93.59(5) 1_655 .
O2 Cd2 C39 151.77(6) 1_654 .
O1W Cd2 C39 109.50(6) . .
O6 Cd2 C39 27.19(5) . .
N4 Cd2 C39 97.68(5) 1_544 .
N3 Cd2 C39 86.34(5) 1_655 .
O5 Cd2 C39 27.49(5) . .
N4 C1 C2 123.92(17) . .
N4 C1 H1 118.0 . .
C2 C1 H1 118.0 . .
C1 C2 C3 117.65(17) . .
C1 C2 C6 121.29(17) . .
C3 C2 C6 121.06(18) . .
C4 C3 C2 119.13(19) . .
C4 C3 H3 120.4 . .
C2 C3 H3 120.4 . .
C5 C4 C3 119.28(19) . .
C5 C4 H4 120.4 . .
C3 C4 H4 120.4 . .
N4 C5 C4 122.87(19) . .
N4 C5 H5 118.6 . .
C4 C5 H5 118.6 . .
O12 C6 C2 106.97(16) . .
O12 C6 H6A 110.3 . .
C2 C6 H6A 110.3 . .
O12 C6 H6B 110.3 . .
C2 C6 H6B 110.3 . .
H6A C6 H6B 108.6 . .
O12 C7 C12 125.94(18) . .
O12 C7 C8 113.67(17) . .
C12 C7 C8 120.39(17) . .
C9 C8 C7 120.20(18) . .
C9 C8 H8 119.9 . .
C7 C8 H8 119.9 . .
C8 C9 C10 120.68(18) . .
C8 C9 H9 119.7 . .
C10 C9 H9 119.7 . .
C11 C10 C9 118.49(17) . .
C11 C10 C13 121.57(17) . .
C9 C10 C13 119.90(17) . .
C10 C11 C12 121.27(19) . .
C10 C11 H11 119.4 . .
C12 C11 H11 119.4 . .
C7 C12 C11 118.96(18) . .
C7 C12 H12 120.5 . .
C11 C12 H12 120.5 . .
O11 C13 O10 121.14(17) . .
O11 C13 C10 119.16(17) . .
O10 C13 C10 119.70(17) . .
O11 C13 Cd1 58.37(10) . .
O10 C13 Cd1 63.04(10) . .
C10 C13 Cd1 173.53(14) . .
O1 C14 O2 124.82(18) . .
O1 C14 C15 117.46(19) . .
O2 C14 C15 117.72(19) . .
C20 C15 C16 118.65(17) . .
C20 C15 C14 122.69(18) . .
C16 C15 C14 118.66(18) . .
C17 C16 C15 121.28(19) . .
C17 C16 H16 119.4 . .
C15 C16 H16 119.4 . .
C16 C17 C18 119.53(18) . .
C16 C17 H17 120.2 . .
C18 C17 H17 120.2 . .
O3 C18 C17 115.68(18) . .
O3 C18 C19 123.87(19) . .
C17 C18 C19 120.45(18) . .
C20 C19 C18 119.1(2) . .
C20 C19 H19 120.4 . .
C18 C19 H19 120.4 . .
C15 C20 C19 120.90(19) . .
C15 C20 H20 119.6 . .
C19 C20 H20 119.6 . .
O3 C21 C22 108.45(19) . .
O3 C21 H21A 110.0 . .
C22 C21 H21A 110.0 . .
O3 C21 H21B 110.0 . .
C22 C21 H21B 110.0 . .
H21A C21 H21B 108.4 . .
C23 C22 C26 118.19(19) . .
C23 C22 C21 123.6(2) . .
C26 C22 C21 118.2(2) . .
C22 C23 C24 119.1(2) . .
C22 C23 H23 120.5 . .
C24 C23 H23 120.5 . .
C25 C24 C23 119.0(2) . .
C25 C24 H24 120.5 . .
C23 C24 H24 120.5 . .
N1 C25 C24 122.78(19) . .
N1 C25 H25 118.6 . .
C24 C25 H25 118.6 . .
N1 C26 C22 123.4(2) . .
N1 C26 H26 118.3 . .
C22 C26 H26 118.3 . .
N2 C27 C28 122.8(2) . .
N2 C27 H27 118.6 . .
C28 C27 H27 118.6 . .
C27 C28 C29 118.7(2) . .
C27 C28 H28 120.7 . .
C29 C28 H28 120.7 . .
C30 C29 C28 119.3(2) . .
C30 C29 H29 120.4 . .
C28 C29 H29 120.4 . .
C29 C30 C31 118.33(19) . .
C29 C30 C32 118.86(19) . .
C31 C30 C32 122.66(19) . .
N2 C31 C30 122.94(19) . .
N2 C31 H31 118.5 . .
C30 C31 H31 118.5 . .
O4 C32 C30 110.38(18) . .
O4 C32 H32A 109.6 . .
C30 C32 H32A 109.6 . .
O4 C32 H32B 109.6 . .
C30 C32 H32B 109.6 . .
H32A C32 H32B 108.1 . .
O4 C33 C34 115.31(18) . .
O4 C33 C38 124.49(18) . .
C34 C33 C38 120.20(17) . .
C35 C34 C33 119.99(18) . .
C35 C34 H34 120.0 . .
C33 C34 H34 120.0 . .
C34 C35 C36 120.68(18) . .
C34 C35 H35 119.7 . .
C36 C35 H35 119.7 . .
C37 C36 C35 118.65(17) . .
C37 C36 C39 120.17(17) . .
C35 C36 C39 121.17(17) . .
C38 C37 C36 121.20(18) . .
C38 C37 H37 119.4 . .
C36 C37 H37 119.4 . .
C37 C38 C33 119.26(19) . .
C37 C38 H38 120.4 . .
C33 C38 H38 120.4 . .
O6 C39 O5 121.03(17) . .
O6 C39 C36 119.82(17) . .
O5 C39 C36 119.13(17) . .
O6 C39 Cd2 58.28(10) . .
O5 C39 Cd2 63.17(10) . .
C36 C39 Cd2 171.76(13) . .
N3 C40 C41 122.8(2) . .
N3 C40 H40 118.6 . .
C41 C40 H40 118.6 . .
C40 C41 C42 119.1(2) . .
C40 C41 H41 120.5 . .
C42 C41 H41 120.5 . .
C41 C42 C43 119.10(19) . .
C41 C42 H42 120.5 . .
C43 C42 H42 120.5 . .
C42 C43 C44 118.11(19) . .
C42 C43 C45 121.73(19) . .
C44 C43 C45 120.15(19) . .
N3 C44 C43 123.12(19) . .
N3 C44 H44 118.4 . .
C43 C44 H44 118.4 . .
O7 C45 C43 106.97(17) . .
O7 C45 H45A 110.3 . .
C43 C45 H45A 110.3 . .
O7 C45 H45B 110.3 . .
C43 C45 H45B 110.3 . .
H45A C45 H45B 108.6 . .
O7 C46 C51 124.07(18) . .
O7 C46 C47 115.51(17) . .
C51 C46 C47 120.42(18) . .
C48 C47 C46 120.01(19) . .
C48 C47 H47 120.0 . .
C46 C47 H47 120.0 . .
C47 C48 C49 120.51(19) . .
C47 C48 H48 119.7 . .
C49 C48 H48 119.7 . .
C50 C49 C48 118.55(17) . .
C50 C49 C52 119.71(17) . .
C48 C49 C52 121.63(18) . .
C49 C50 C51 121.99(18) . .
C49 C50 H50 119.0 . .
C51 C50 H50 119.0 . .
C46 C51 C50 118.50(18) . .
C46 C51 H51 120.7 . .
C50 C51 H51 120.7 . .
O9 C52 O8 122.57(18) . .
O9 C52 C49 120.03(18) . .
O8 C52 C49 117.27(17) . .
O9 C52 Cd1 67.64(11) . .
O8 C52 Cd1 56.46(10) . .
C49 C52 Cd1 162.28(14) . .
C26 N1 C25 117.62(19) . .
C26 N1 Cd1 122.84(15) . .
C25 N1 Cd1 119.42(13) . .
C27 N2 C31 117.96(19) . .
C27 N2 Cd1 119.97(14) . .
C31 N2 Cd1 121.08(13) . .
C40 N3 C44 117.83(17) . .
C40 N3 Cd2 123.47(14) . 1_455
C44 N3 Cd2 118.55(13) . 1_455
C5 N4 C1 117.13(17) . .
C5 N4 Cd2 122.53(13) . 1_566
C1 N4 Cd2 120.08(12) . 1_566
C14 O2 Cd2 117.18(13) . 1_456
C18 O3 C21 117.68(17) . .
C33 O4 C32 117.60(16) . .
C39 O5 Cd2 89.34(11) . .
C39 O6 Cd2 94.52(12) . .
C46 O7 C45 117.62(16) . .
C52 O8 Cd1 96.21(12) . .
C52 O9 Cd1 85.52(12) . .
C13 O10 Cd1 89.67(11) . .
C13 O10 Cd1 162.83(13) . 2_676
Cd1 O10 Cd1 105.42(5) . 2_676
C13 O11 Cd1 94.48(12) . .
C7 O12 C6 120.15(15) . .
Cd2 O1W H1A 104(2) . .
Cd2 O1W H1B 93(2) . .
H1A O1W H1B 107.7(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O8 2.3037(14) .
Cd1 N1 2.3190(18) .
Cd1 O11 2.3489(14) .
Cd1 N2 2.3529(17) .
Cd1 O10 2.4517(14) .
Cd1 O10 2.4680(14) 2_676
Cd1 O9 2.5489(15) .
Cd1 C52 2.7476(19) .
Cd1 C13 2.7504(18) .
Cd2 O2 2.2773(13) 1_654
Cd2 O1W 2.3028(16) .
Cd2 O6 2.3423(14) .
Cd2 N4 2.3519(16) 1_544
Cd2 N3 2.3520(16) 1_655
Cd2 O5 2.4496(14) .
Cd2 C39 2.7450(18) .
C1 N4 1.344(2) .
C1 C2 1.382(3) .
C1 H1 0.9300 .
C2 C3 1.385(3) .
C2 C6 1.505(3) .
C3 C4 1.379(3) .
C3 H3 0.9300 .
C4 C5 1.376(3) .
C4 H4 0.9300 .
C5 N4 1.338(3) .
C5 H5 0.9300 .
C6 O12 1.413(2) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 O12 1.366(2) .
C7 C12 1.380(3) .
C7 C8 1.382(3) .
C8 C9 1.376(3) .
C8 H8 0.9300 .
C9 C10 1.391(3) .
C9 H9 0.9300 .
C10 C11 1.385(3) .
C10 C13 1.495(2) .
C11 C12 1.394(3) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 O11 1.259(2) .
C13 O10 1.261(2) .
C14 O1 1.248(3) .
C14 O2 1.270(3) .
C14 C15 1.503(3) .
C15 C20 1.387(3) .
C15 C16 1.389(3) .
C16 C17 1.380(3) .
C16 H16 0.9300 .
C17 C18 1.381(3) .
C17 H17 0.9300 .
C18 O3 1.368(2) .
C18 C19 1.393(3) .
C19 C20 1.392(3) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 O3 1.413(3) .
C21 C22 1.506(3) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.374(3) .
C22 C26 1.382(3) .
C23 C24 1.388(3) .
C23 H23 0.9300 .
C24 C25 1.370(3) .
C24 H24 0.9300 .
C25 N1 1.339(3) .
C25 H25 0.9300 .
C26 N1 1.337(2) .
C26 H26 0.9300 .
C27 N2 1.331(3) .
C27 C28 1.381(3) .
C27 H27 0.9300 .
C28 C29 1.383(3) .
C28 H28 0.9300 .
C29 C30 1.376(3) .
C29 H29 0.9300 .
C30 C31 1.382(3) .
C30 C32 1.510(3) .
C31 N2 1.343(2) .
C31 H31 0.9300 .
C32 O4 1.405(3) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 O4 1.374(2) .
C33 C34 1.386(3) .
C33 C38 1.389(3) .
C34 C35 1.382(3) .
C34 H34 0.9300 .
C35 C36 1.393(3) .
C35 H35 0.9300 .
C36 C37 1.389(3) .
C36 C39 1.492(2) .
C37 C38 1.387(3) .
C37 H37 0.9300 .
C38 H38 0.9300 .
C39 O6 1.258(2) .
C39 O5 1.267(2) .
C40 N3 1.333(3) .
C40 C41 1.377(3) .
C40 H40 0.9300 .
C41 C42 1.380(3) .
C41 H41 0.9300 .
C42 C43 1.382(3) .
C42 H42 0.9300 .
C43 C44 1.384(3) .
C43 C45 1.504(3) .
C44 N3 1.342(3) .
C44 H44 0.9300 .
C45 O7 1.419(2) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C46 O7 1.372(2) .
C46 C51 1.384(3) .
C46 C47 1.392(3) .
C47 C48 1.373(3) .
C47 H47 0.9300 .
C48 C49 1.394(3) .
C48 H48 0.9300 .
C49 C50 1.378(3) .
C49 C52 1.498(3) .
C50 C51 1.386(3) .
C50 H50 0.9300 .
C51 H51 0.9300 .
C52 O9 1.244(2) .
C52 O8 1.269(2) .
N3 Cd2 2.3520(16) 1_455
N4 Cd2 2.3519(16) 1_566
O2 Cd2 2.2773(13) 1_456
O10 Cd1 2.4680(14) 2_676
O1W H1A 0.86(2) .
O1W H1B 0.850(9) .
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
O1W H1B O1 0.850(9) 1.812(12) 2.621(2) 158(3) 1_654
O1W H1A O5 0.86(2) 1.875(10) 2.728(2) 176(3) 2_665
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 1.2(3) . .
N4 C1 C2 C6 -178.3(2) . .
C1 C2 C3 C4 -1.3(3) . .
C6 C2 C3 C4 178.2(2) . .
C2 C3 C4 C5 0.4(4) . .
C3 C4 C5 N4 0.8(4) . .
C1 C2 C6 O12 22.6(3) . .
C3 C2 C6 O12 -156.9(2) . .
O12 C7 C8 C9 179.8(2) . .
C12 C7 C8 C9 0.0(3) . .
C7 C8 C9 C10 0.2(3) . .
C8 C9 C10 C11 -0.2(3) . .
C8 C9 C10 C13 -177.94(19) . .
C9 C10 C11 C12 0.0(3) . .
C13 C10 C11 C12 177.7(2) . .
O12 C7 C12 C11 179.9(2) . .
C8 C7 C12 C11 -0.3(4) . .
C10 C11 C12 C7 0.3(4) . .
C11 C10 C13 O11 8.4(3) . .
C9 C10 C13 O11 -174.0(2) . .
C11 C10 C13 O10 -170.9(2) . .
C9 C10 C13 O10 6.8(3) . .
O10 Cd1 C13 O11 174.0(2) . .
O10 Cd1 C13 O11 -177.80(13) 2_676 .
O9 Cd1 C13 O11 6.43(15) . .
C52 Cd1 C13 O11 7.93(18) . .
O8 Cd1 C13 O10 172.0(2) . .
N1 Cd1 C13 O10 91.71(12) . .
O1 C14 C15 C20 -167.0(2) . .
O2 C14 C15 C20 13.6(3) . .
O1 C14 C15 C16 12.6(3) . .
O2 C14 C15 C16 -166.82(18) . .
C20 C15 C16 C17 -0.5(3) . .
C14 C15 C16 C17 179.87(18) . .
C15 C16 C17 C18 2.3(3) . .
C16 C17 C18 O3 177.04(18) . .
C16 C17 C18 C19 -2.8(3) . .
O3 C18 C19 C20 -178.3(2) . .
C17 C18 C19 C20 1.4(3) . .
C16 C15 C20 C19 -0.8(3) . .
C14 C15 C20 C19 178.8(2) . .
C18 C19 C20 C15 0.4(4) . .
O3 C21 C22 C23 -21.5(4) . .
O3 C21 C22 C26 160.8(2) . .
C26 C22 C23 C24 -1.4(4) . .
C21 C22 C23 C24 -179.1(2) . .
C22 C23 C24 C25 2.2(4) . .
C23 C24 C25 N1 -1.1(4) . .
C23 C22 C26 N1 -0.5(4) . .
C21 C22 C26 N1 177.3(2) . .
N2 C27 C28 C29 0.8(4) . .
C27 C28 C29 C30 -0.1(4) . .
C28 C29 C30 C31 -1.1(4) . .
C28 C29 C30 C32 174.6(2) . .
C29 C30 C31 N2 1.8(3) . .
C32 C30 C31 N2 -173.8(2) . .
C29 C30 C32 O4 171.7(2) . .
C31 C30 C32 O4 -12.7(3) . .
O4 C33 C34 C35 -179.93(18) . .
C38 C33 C34 C35 0.1(3) . .
C33 C34 C35 C36 -0.4(3) . .
C34 C35 C36 C37 0.2(3) . .
C34 C35 C36 C39 179.05(18) . .
C35 C36 C37 C38 0.3(3) . .
C39 C36 C37 C38 -178.56(19) . .
C36 C37 C38 C33 -0.6(3) . .
O4 C33 C38 C37 -179.58(19) . .
C34 C33 C38 C37 0.4(3) . .
C37 C36 C39 O6 7.6(3) . .
C35 C36 C39 O6 -171.26(19) . .
C37 C36 C39 O5 -174.04(19) . .
C35 C36 C39 O5 7.1(3) . .
O2 Cd2 C39 O5 -174.96(11) 1_654 .
O1W Cd2 C39 O5 -15.54(13) . .
O6 Cd2 C39 O5 172.62(19) . .
N4 Cd2 C39 O5 81.93(12) 1_544 .
N3 Cd2 C39 O5 -105.01(12) 1_655 .
N3 C40 C41 C42 -0.5(4) . .
C40 C41 C42 C43 1.0(4) . .
C41 C42 C43 C44 -0.9(3) . .
C41 C42 C43 C45 -179.4(2) . .
C42 C43 C44 N3 0.3(3) . .
C45 C43 C44 N3 178.9(2) . .
C42 C43 C45 O7 130.0(2) . .
C44 C43 C45 O7 -48.5(3) . .
O7 C46 C47 C48 179.8(2) . .
C51 C46 C47 C48 0.2(3) . .
C46 C47 C48 C49 0.5(3) . .
C47 C48 C49 C50 -0.6(3) . .
C47 C48 C49 C52 175.8(2) . .
C48 C49 C50 C51 0.0(3) . .
C52 C49 C50 C51 -176.4(2) . .
O7 C46 C51 C50 179.7(2) . .
C47 C46 C51 C50 -0.7(3) . .
C49 C50 C51 C46 0.6(3) . .
C50 C49 C52 O9 157.7(2) . .
C48 C49 C52 O9 -18.6(3) . .
C50 C49 C52 O8 -18.4(3) . .
C48 C49 C52 O8 165.32(19) . .
C50 C49 C52 Cd1 46.2(5) . .
C48 C49 C52 Cd1 -130.1(4) . .
O8 Cd1 C52 O9 166.2(2) . .
N1 Cd1 C52 O9 96.25(13) . .
O11 Cd1 C52 O9 0.90(14) . .
N2 Cd1 C52 O9 -91.78(13) . .
O10 Cd1 C52 O9 -29.8(3) . .
O10 Cd1 C52 O9 -176.71(11) 2_676 .
C13 Cd1 C52 O9 -3.04(17) . .
N1 Cd1 C52 O8 -69.93(13) . .
O11 Cd1 C52 O8 -165.28(12) . .
N2 Cd1 C52 O8 102.04(13) . .
O10 Cd1 C52 O8 164.04(19) . .
O10 Cd1 C52 O8 17.11(14) 2_676 .
O9 Cd1 C52 O8 -166.2(2) . .
C13 Cd1 C52 O8 -169.22(11) . .
O8 Cd1 C52 C49 -74.4(5) . .
N1 Cd1 C52 C49 -144.4(5) . .
O11 Cd1 C52 C49 120.3(5) . .
N2 Cd1 C52 C49 27.6(5) . .
O10 Cd1 C52 C49 89.6(5) . .
O10 Cd1 C52 C49 -57.3(5) 2_676 .
O9 Cd1 C52 C49 119.4(5) . .
C13 Cd1 C52 C49 116.3(4) . .
C22 C26 N1 C25 1.6(3) . .
C22 C26 N1 Cd1 -174.35(17) . .
C24 C25 N1 C26 -0.8(3) . .
C24 C25 N1 Cd1 175.30(19) . .
O8 Cd1 N1 C26 -142.64(17) . .
O11 Cd1 N1 C26 -2.84(17) . .
O10 Cd1 N1 C26 51.52(17) . .
O10 Cd1 N1 C26 125.94(17) 2_676 .
O9 Cd1 N1 C26 -89.99(17) . .
C52 Cd1 N1 C26 -117.08(17) . .
C13 Cd1 N1 C26 24.24(17) . .
O8 Cd1 N1 C25 41.46(17) . .
O11 Cd1 N1 C25 -178.74(17) . .
O10 Cd1 N1 C25 -124.38(17) . .
O10 Cd1 N1 C25 -49.95(16) 2_676 .
O9 Cd1 N1 C25 94.12(17) . .
C52 Cd1 N1 C25 67.03(17) . .
C13 Cd1 N1 C25 -151.65(17) . .
C28 C27 N2 C31 -0.2(4) . .
C28 C27 N2 Cd1 -168.98(19) . .
C30 C31 N2 C27 -1.1(3) . .
C30 C31 N2 Cd1 167.51(16) . .
O8 Cd1 N2 C27 150.87(17) . .
O11 Cd1 N2 C27 10.98(17) . .
O10 Cd1 N2 C27 -43.36(17) . .
O10 Cd1 N2 C27 -117.91(17) 2_676 .
O9 Cd1 N2 C27 97.15(17) . .
C52 Cd1 N2 C27 124.17(17) . .
C13 Cd1 N2 C27 -16.31(17) . .
O8 Cd1 N2 C31 -17.55(16) . .
O11 Cd1 N2 C31 -157.43(16) . .
O10 Cd1 N2 C31 148.23(16) . .
O10 Cd1 N2 C31 73.67(16) 2_676 .
O9 Cd1 N2 C31 -71.27(16) . .
C52 Cd1 N2 C31 -44.24(16) . .
C13 Cd1 N2 C31 175.27(16) . .
C41 C40 N3 C44 0.0(3) . .
C41 C40 N3 Cd2 175.44(18) . 1_455
C43 C44 N3 C40 0.1(3) . .
C43 C44 N3 Cd2 -175.56(16) . 1_455
C4 C5 N4 C1 -1.0(3) . .
C4 C5 N4 Cd2 -175.15(18) . 1_566
C2 C1 N4 C5 -0.1(3) . .
C2 C1 N4 Cd2 174.28(16) . 1_566
O1 C14 O2 Cd2 13.7(3) . 1_456
C15 C14 O2 Cd2 -166.95(13) . 1_456
C17 C18 O3 C21 -169.4(2) . .
C19 C18 O3 C21 10.4(3) . .
C22 C21 O3 C18 168.3(2) . .
C34 C33 O4 C32 177.5(2) . .
C38 C33 O4 C32 -2.5(3) . .
C30 C32 O4 C33 165.99(18) . .
O6 C39 O5 Cd2 7.32(19) . .
C36 C39 O5 Cd2 -171.04(15) . .
O1W Cd2 O5 C39 165.25(12) . .
O6 Cd2 O5 C39 -4.13(11) . .
N4 Cd2 O5 C39 -100.68(12) 1_544 .
N3 Cd2 O5 C39 74.98(12) 1_655 .
O5 C39 O6 Cd2 -7.7(2) . .
C36 C39 O6 Cd2 170.66(15) . .
O2 Cd2 O6 C39 -172.88(11) 1_654 .
O1W Cd2 O6 C39 -11.18(16) . .
N4 Cd2 O6 C39 92.91(12) 1_544 .
N3 Cd2 O6 C39 -95.12(12) 1_655 .
O5 Cd2 O6 C39 4.17(11) . .
C51 C46 O7 C45 -7.4(3) . .
C47 C46 O7 C45 172.9(2) . .
C43 C45 O7 C46 -174.99(19) . .
O9 C52 O8 Cd1 -15.2(2) . .
C49 C52 O8 Cd1 160.73(15) . .
N1 Cd1 O8 C52 111.43(13) . .
O11 Cd1 O8 C52 21.13(17) . .
N2 Cd1 O8 C52 -75.46(13) . .
O10 Cd1 O8 C52 -164.12(19) . .
O10 Cd1 O8 C52 -164.87(12) 2_676 .
O9 Cd1 O8 C52 7.68(11) . .
C13 Cd1 O8 C52 31.0(3) . .
O8 C52 O9 Cd1 13.7(2) . .
C49 C52 O9 Cd1 -162.16(17) . .
O8 Cd1 O9 C52 -7.82(12) . .
N1 Cd1 O9 C52 -88.01(13) . .
O11 Cd1 O9 C52 -179.17(13) . .
N2 Cd1 O9 C52 84.57(13) . .
O10 Cd1 O9 C52 169.04(11) . .
O10 Cd1 O9 C52 5.00(17) 2_676 .
C13 Cd1 O9 C52 177.90(12) . .
O11 C13 O10 Cd1 -5.9(2) . .
C10 C13 O10 Cd1 173.35(17) . .
O11 C13 O10 Cd1 -157.8(4) . 2_676
C10 C13 O10 Cd1 21.4(6) . 2_676
Cd1 C13 O10 Cd1 -151.9(5) . 2_676
O8 Cd1 O10 C13 -172.5(2) . .
N1 Cd1 O10 C13 -88.34(13) . .
O11 Cd1 O10 C13 3.34(12) . .
N2 Cd1 O10 C13 99.32(12) . .
O10 Cd1 O10 C13 -171.71(15) 2_676 .
O9 Cd1 O10 C13 17.88(16) . .
C52 Cd1 O10 C13 38.4(3) . .
O8 Cd1 O10 Cd1 -0.8(3) . 2_676
N1 Cd1 O10 Cd1 83.37(7) . 2_676
O11 Cd1 O10 Cd1 175.06(9) . 2_676
N2 Cd1 O10 Cd1 -88.97(6) . 2_676
O10 Cd1 O10 Cd1 0.0 2_676 2_676
O9 Cd1 O10 Cd1 -170.41(6) . 2_676
C52 Cd1 O10 Cd1 -149.86(19) . 2_676
C13 Cd1 O10 Cd1 171.71(15) . 2_676
O10 C13 O11 Cd1 6.2(2) . .
C10 C13 O11 Cd1 -173.07(16) . .
O8 Cd1 O11 C13 175.06(12) . .
N1 Cd1 O11 C13 86.09(13) . .
N2 Cd1 O11 C13 -91.24(13) . .
O10 Cd1 O11 C13 -3.36(12) . .
O10 Cd1 O11 C13 2.76(16) 2_676 .
O9 Cd1 O11 C13 -174.12(13) . .
C52 Cd1 O11 C13 -174.53(12) . .
C12 C7 O12 C6 9.5(4) . .
C8 C7 O12 C6 -170.3(2) . .
C2 C6 O12 C7 170.42(19) . .
