#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:56:51 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180405 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/74/7207497.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_7207497
loop_
_publ_author_name
'Zhong, Di-Chang'
'Deng, Ji-Hua'
'Luo, Xu-Zhong'
'Lu, Tong-Bu'
'Wang, Ke-Jun'
_publ_section_title
;
 An unprecedented (4,10)-connected porous metal--organic framework
 containing two rare large secondary building units (SBUs)
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              1538
_journal_paper_doi               10.1039/c2ce06555j
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C44 H66 Cd23 Cl2 N176 O11'
_chemical_formula_weight         5892.53
_chemical_name_systematic
;
?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 107.8490(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   36.087(3)
_cell_length_b                   13.2881(10)
_cell_length_c                   19.2349(14)
_cell_measurement_reflns_used    9517
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.06
_cell_measurement_theta_min      2.18
_cell_volume                     8779.7(12)
_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 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0413
_diffrn_reflns_av_sigmaI/netI    0.0507
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            27839
_diffrn_reflns_theta_full        27.05
_diffrn_reflns_theta_max         27.05
_diffrn_reflns_theta_min         1.86
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.844
_exptl_absorpt_correction_T_max  0.5366
_exptl_absorpt_correction_T_min  0.4275
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.228
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5568
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.25
_refine_diff_density_max         2.502
_refine_diff_density_min         -1.314
_refine_diff_density_rms         0.228
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     675
_refine_ls_number_reflns         9928
_refine_ls_number_restraints     166
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0721
_refine_ls_R_factor_gt           0.0466
_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)+(0.0769P)²+39.7259P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1292
_refine_ls_wR_factor_ref         0.1428
_reflns_number_gt                7094
_reflns_number_total             9928
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce06555j.txt
_cod_data_source_block           l902224m
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        8779.8(11)
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               7207497
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
_atom_site_disorder_group
N46 N 0.0979(5) 0.9515(13) 0.0695(8) 0.068(3) Uani 0.594(15) 1 d PDU 1
N47 N 0.0767(5) 0.9183(9) 0.0059(9) 0.074(3) Uani 0.594(15) 1 d PDU 1
C15 C 0.0613(9) 1.0000 -0.0317(11) 0.076(4) Uani 0.52 2 d SPDU 1
H15 H 0.0421 1.0000 -0.0784 0.091 Uiso 0.52 2 calc SPR 1
N46' N 0.0977(8) 0.899(2) 0.0533(12) 0.072(3) Uani 0.406(15) 1 d PDU 2
N47' N 0.1016(8) 0.9083(12) -0.0098(12) 0.074(3) Uani 0.406(15) 1 d PDU 2
C15' C 0.0922(12) 1.0000 -0.0348(15) 0.075(3) Uani 0.48 2 d SPDU 2
H15' H 0.0741 1.0000 -0.0826 0.090 Uiso 0.48 2 calc SPR 2
N15 N 0.1060(2) 0.5497(5) 0.4013(4) 0.0295(15) Uani 1 1 d . .
N16 N 0.07676(18) 0.5813(4) 0.3433(3) 0.0230(14) Uani 1 1 d . .
C5 C 0.0595(3) 0.5000 0.3105(5) 0.0135(19) Uani 1 2 d S .
H5 H 0.0373 0.5000 0.2683 0.016 Uiso 0.50 2 calc SPR .
Cd2 Cd 0.125361(15) 0.85349(4) 0.17151(3) 0.01808(13) Uani 1 1 d . .
Cd3 Cd 0.063007(14) 0.75103(4) 0.30842(3) 0.01556(13) Uani 1 1 d . .
Cd6 Cd -0.117950(14) 0.75363(4) 0.32828(3) 0.01455(13) Uani 1 1 d . .
Cd1 Cd 0.14573(3) 0.64626(7) 0.49383(5) 0.0146(2) Uani 0.50 1 d P .
Cd4 Cd 0.00359(3) 0.5000 0.21275(7) 0.0064(2) Uani 0.50 2 d SP .
Cd5 Cd -0.09982(4) 0.5000 0.22339(8) 0.0201(3) Uani 0.50 2 d SP .
Cd7 Cd 0.2500 0.7500 0.5000 0.01909(17) Uani 1 2 d S .
Cd9 Cd -0.179809(19) 0.5000 0.01550(4) 0.01316(16) Uani 1 2 d S .
Cd10 Cd -0.2500 0.7500 0.0000 0.01337(16) Uani 1 2 d S .
Cd8 Cd 0.0000 0.5000 0.0000 0.0138(2) Uani 1 4 d S .
N1 N 0.21782(17) 0.7906(5) 0.5850(4) 0.0242(14) Uani 1 1 d . .
N2 N 0.18467(18) 0.7530(5) 0.5865(4) 0.0286(16) Uani 1 1 d . .
N3 N 0.17593(17) 0.7888(5) 0.6434(4) 0.0248(14) Uani 1 1 d . .
N4 N 0.2048(2) 0.8503(6) 0.6799(4) 0.0412(19) Uani 1 1 d . .
N5 N 0.19968(16) 0.5489(4) 0.5014(3) 0.0211(13) Uani 1 1 d . .
N6 N 0.23601(17) 0.5822(5) 0.5078(3) 0.0223(14) Uani 1 1 d . .
N7 N 0.15209(16) 0.7984(5) 0.2915(3) 0.0226(14) Uani 1 1 d . .
N8 N 0.13224(17) 0.7634(5) 0.3355(3) 0.0226(14) Uani 1 1 d . .
N9 N 0.15716(18) 0.7485(5) 0.4010(4) 0.0254(15) Uani 1 1 d . .
N10 N 0.19303(17) 0.7711(5) 0.3999(3) 0.0224(14) Uani 1 1 d . .
N11 N 0.0565(3) 0.8601(9) 0.5226(6) 0.080(3) Uani 1 1 d . .
N12 N 0.08493(18) 0.7932(5) 0.5485(3) 0.0235(14) Uani 1 1 d . .
N13 N 0.0909(3) 0.7533(6) 0.4897(4) 0.047(2) Uani 1 1 d . .
N14 N 0.06910(18) 0.7976(5) 0.4295(3) 0.0244(14) Uani 1 1 d . .
N17 N 0.1652(2) 0.7534(5) 0.1255(4) 0.0299(16) Uani 1 1 d . .
N18 N 0.1585(2) 0.6600(5) 0.0986(4) 0.0343(17) Uani 1 1 d . .
N19 N 0.18389(17) 0.6371(5) 0.0640(3) 0.0215(13) Uani 1 1 d . .
N20 N 0.20721(18) 0.7187(5) 0.0695(3) 0.0248(14) Uani 1 1 d . .
N21 N 0.07548(17) 0.7344(5) 0.1424(3) 0.0211(14) Uani 1 1 d . .
N22 N 0.05818(17) 0.6950(5) 0.1888(3) 0.0205(13) Uani 1 1 d . .
N23 N 0.03339(18) 0.6269(5) 0.1550(3) 0.0234(14) Uani 1 1 d . .
N24 N 0.03295(17) 0.6218(4) 0.0850(3) 0.0204(13) Uani 1 1 d . .
N25 N 0.08360(17) 0.9513(4) 0.2282(4) 0.0225(14) Uani 1 1 d . .
N26 N 0.06319(18) 0.9176(4) 0.2720(3) 0.0226(14) Uani 1 1 d . .
N27 N -0.00231(17) 0.7221(4) 0.2909(3) 0.0205(13) Uani 1 1 d . .
N28 N -0.01906(17) 0.6324(5) 0.2656(3) 0.0222(14) Uani 1 1 d . .
N29 N -0.05464(17) 0.6317(5) 0.2717(3) 0.0215(14) Uani 1 1 d . .
N30 N -0.06092(17) 0.7194(4) 0.3011(4) 0.0199(13) Uani 1 1 d . .
N31 N -0.0537(2) 0.5000 0.0438(5) 0.0202(17) Uani 1 2 d SU .
N32 N -0.0518(2) 0.5000 0.1145(5) 0.028(2) Uani 1 2 d SU .
N33 N -0.0878(3) 0.5000 0.1167(5) 0.032(2) Uani 1 2 d SU .
N34 N -0.1124(2) 0.5000 0.0486(5) 0.0206(17) Uani 1 2 d SU .
C11 C -0.1163(3) 0.5000 0.3267(6) 0.018(2) Uani 1 2 d S .
H11 H -0.1096 0.5000 0.2826 0.022 Uiso 0.50 2 calc SPR .
N35 N -0.12150(17) 0.5822(5) 0.3609(3) 0.0208(13) Uani 1 1 d . .
N36 N -0.1306(2) 0.5491(5) 0.4198(3) 0.0279(15) Uani 1 1 d . .
N37 N -0.1078(2) 0.9516(5) 0.2315(4) 0.0399(19) Uani 1 1 d . .
N38 N -0.11618(17) 0.9191(4) 0.2922(3) 0.0205(13) Uani 1 1 d . .
N41 N -0.17682(16) 0.6236(4) 0.1090(3) 0.0183(13) Uani 1 1 d . .
N40 N -0.15071(16) 0.6253(4) 0.1738(3) 0.0206(13) Uani 1 1 d . .
N39 N -0.15587(17) 0.7074(5) 0.2099(3) 0.0204(13) Uani 1 1 d . .
N42 N -0.19974(17) 0.7047(4) 0.1019(3) 0.0212(13) Uani 1 1 d . .
N43 N -0.2517(2) 1.0000 0.0085(4) 0.0177(18) Uani 1 2 d S .
N44 N -0.22938(16) 0.9190(4) 0.0175(3) 0.0206(13) Uani 1 1 d . .
N45 N -0.1929(2) 0.9501(5) 0.0327(5) 0.0330(18) Uani 0.50 1 d P 1
C14 C -0.1929(2) 0.9501(5) 0.0327(5) 0.0330(18) Uani 0.50 1 d P 2
H14 H -0.1706 0.9082 0.0419 0.040 Uiso 0.50 1 calc PR 2
C1 C 0.2305(2) 0.8510(6) 0.6427(4) 0.0259(18) Uani 1 1 d . .
H1 H 0.2540 0.8885 0.6554 0.031 Uiso 1 1 calc R .
C2 C 0.2576(3) 0.5000 0.5110(7) 0.028(3) Uani 1 2 d S .
H2 H 0.2845 0.5000 0.5150 0.034 Uiso 1 2 calc SR .
C3 C 0.1887(2) 0.8021(6) 0.3318(4) 0.0224(16) Uani 1 1 d . .
H3 H 0.2094 0.8239 0.3148 0.027 Uiso 1 1 calc R .
C4 C 0.0467(3) 0.8632(7) 0.4479(5) 0.041(2) Uani 1 1 d . .
H4 H 0.0275 0.9048 0.4159 0.050 Uiso 1 1 calc R .
C6 C 0.1948(2) 0.7864(6) 0.1064(4) 0.0273(18) Uani 1 1 d . .
H6 H 0.2059 0.8515 0.1179 0.033 Uiso 1 1 calc R .
C7 C 0.0589(2) 0.6892(6) 0.0788(4) 0.0263(17) Uani 1 1 d . .
H7 H 0.0649 0.7032 0.0350 0.032 Uiso 1 1 calc R .
C9 C -0.0287(2) 0.7731(6) 0.3119(4) 0.0233(17) Uani 1 1 d . .
H9 H -0.0250 0.8391 0.3320 0.028 Uiso 1 1 calc R .
C10 C -0.0910(2) 0.5000 0.0045(5) 0.0137(18) Uani 1 2 d SU .
H10 H -0.1007 0.5000 -0.0474 0.016 Uiso 1 2 calc SR .
C12 C -0.1212(3) 1.0000 0.3261(6) 0.023(2) Uani 1 2 d S .
H12 H -0.1278 1.0000 0.3703 0.027 Uiso 1 2 calc SR .
C13 C -0.1862(2) 0.7541(6) 0.1653(4) 0.0272(18) Uani 1 1 d . .
H13 H -0.1971 0.8148 0.1766 0.033 Uiso 1 1 calc R .
C8 C 0.0522(3) 1.0000 0.2979(7) 0.031(3) Uani 1 2 d S .
H8 H 0.0378 1.0000 0.3318 0.037 Uiso 1 2 calc SR .
Cl1 Cl 0.17516(8) 1.0000 0.2030(2) 0.0375(8) Uani 1 2 d S .
O4W O 0.3044(11) 0.0000 0.6730(19) 0.074(11) Uani 0.40 2 d SPU .
O4'W O 0.2935(9) 0.0000 0.718(3) 0.146(17) Uani 0.50 2 d SP .
O7W O 0.0299(14) 0.0000 0.803(3) 0.23(2) Uani 0.60 2 d SPU .
O1W O 0.0218(3) 0.0000 -0.3843(6) 0.063(3) Uani 1 2 d SU .
O2W O 0.2243(4) 0.0000 -0.1947(8) 0.027(3) Uani 0.50 2 d SPU .
O3W O 0.1289(4) 0.5000 -0.8060(8) 0.091(4) Uani 1 2 d SU .
O5W O 0.1151(6) 0.8189(17) -0.0962(12) 0.077(6) Uani 0.40 1 d PU .
O5'W O 0.0137(13) 0.830(4) -0.121(3) 0.053(12) Uani 0.15 1 d PU .
O6W O 0.1496(11) 0.0000 -0.476(2) 0.112(13) Uani 0.40 2 d SPU .
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'
Cl Cl 0.1484 0.1585 '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
N46 N46 N47 109.8(8) 6_575 .
N46 N46 Cd2 124.3(4) 6_575 .
N47 N46 Cd2 125.5(11) . .
N46 N47 C15 105.2(10) . .
N47 C15 N47 109.5(14) . 6_575
N47 C15 H15 125.3 . .
N47 C15 H15 125.3 6_575 .
N47' N46' Cd2 147(2) . .
N46' N47' C15' 110.1(11) . .
N47' C15' N47' 136(3) 6_575 .
N47' C15' H15' 112.1 6_575 .
N47' C15' H15' 112.1 . .
N15 N15 N16 108.2(4) 6_565 .
N15 N15 Cd1 123.84(15) 6_565 .
N16 N15 Cd1 127.7(4) . .
C5 N16 N15 106.2(6) . .
C5 N16 Cd3 128.6(5) . .
N15 N16 Cd3 125.2(4) . .
N16 C5 N16 111.3(8) . 6_565
N16 C5 Cd4 124.3(4) . .
N16 C5 Cd4 124.3(4) 6_565 .
N16 C5 H5 124.4 . .
N16 C5 H5 124.4 6_565 .
Cd4 C5 H5 3.3 . .
N46' Cd2 N46 19.1(7) . .
N46' Cd2 N17 84.6(8) . .
N46 Cd2 N17 98.8(5) . .
N46' Cd2 N7 177.0(7) . .
N46 Cd2 N7 163.4(5) . .
N17 Cd2 N7 94.6(2) . .
N46' Cd2 N21 82.6(7) . .
N46 Cd2 N21 94.6(4) . .
N17 Cd2 N21 92.5(2) . .
N7 Cd2 N21 94.5(2) . .
N46' Cd2 N25 99.2(8) . .
N46 Cd2 N25 85.3(5) . .
N17 Cd2 N25 175.8(2) . .
N7 Cd2 N25 81.5(2) . .
N21 Cd2 N25 86.1(2) . .
N46' Cd2 Cl1 95.3(7) . .
N46 Cd2 Cl1 82.0(4) . .
N17 Cd2 Cl1 93.04(17) . .
N7 Cd2 Cl1 87.58(17) . .
N21 Cd2 Cl1 173.94(16) . .
N25 Cd2 Cl1 88.56(15) . .
N27 Cd3 N26 102.2(2) . .
N27 Cd3 N14 88.3(2) . .
N26 Cd3 N14 92.3(2) . .
N27 Cd3 N16 89.9(2) . .
N26 Cd3 N16 167.4(2) . .
N14 Cd3 N16 91.3(2) . .
N27 Cd3 N22 92.2(2) . .
N26 Cd3 N22 90.7(2) . .
N14 Cd3 N22 176.8(2) . .
N16 Cd3 N22 85.5(2) . .
N27 Cd3 N8 173.2(2) . .
N26 Cd3 N8 84.3(2) . .
N14 Cd3 N8 89.6(2) . .
N16 Cd3 N8 83.7(2) . .
N22 Cd3 N8 89.6(2) . .
N38 Cd6 N30 90.6(2) . .
N38 Cd6 N39 91.1(2) . .
N30 Cd6 N39 91.4(2) . .
N38 Cd6 N12 92.2(2) . 2_556
N30 Cd6 N12 93.4(2) . 2_556
N39 Cd6 N12 174.2(2) . 2_556
N38 Cd6 N3 89.3(2) . 2_556
N30 Cd6 N3 179.7(2) . 2_556
N39 Cd6 N3 88.9(2) . 2_556
N12 Cd6 N3 86.3(2) 2_556 2_556
N38 Cd6 N35 177.8(2) . .
N30 Cd6 N35 89.7(2) . .
N39 Cd6 N35 86.7(2) . .
N12 Cd6 N35 90.0(2) 2_556 .
N3 Cd6 N35 90.3(2) 2_556 .
N36 Cd1 N15 90.9(2) 2_556 .
N36 Cd1 N5 91.2(2) 2_556 .
N15 Cd1 N5 92.9(2) . .
N36 Cd1 N2 90.5(2) 2_556 .
N15 Cd1 N2 177.0(2) . .
N5 Cd1 N2 89.6(2) . .
N36 Cd1 N9 176.5(2) 2_556 .
N15 Cd1 N9 87.0(2) . .
N5 Cd1 N9 91.8(2) . .
N2 Cd1 N9 91.4(2) . .
N36 Cd1 N13 88.9(2) 2_556 .
N15 Cd1 N13 89.6(3) . .
N5 Cd1 N13 177.5(3) . .
N2 Cd1 N13 87.9(2) . .
N9 Cd1 N13 88.2(2) . .
N32 Cd4 C5 179.4(3) . .
N32 Cd4 N28 91.5(2) . 6_565
C5 Cd4 N28 88.9(2) . 6_565
N32 Cd4 N28 91.5(2) . .
C5 Cd4 N28 88.9(2) . .
N28 Cd4 N28 99.6(3) 6_565 .
N32 Cd4 N23 91.1(2) . .
C5 Cd4 N23 88.5(2) . .
N28 Cd4 N23 173.3(2) 6_565 .
N28 Cd4 N23 86.5(2) . .
N32 Cd4 N23 91.1(2) . 6_565
C5 Cd4 N23 88.5(2) . 6_565
N28 Cd4 N23 86.5(2) 6_565 6_565
N28 Cd4 N23 173.3(2) . 6_565
N23 Cd4 N23 87.3(3) . 6_565
N33 Cd5 C11 176.1(3) . .
N33 Cd5 N29 93.2(2) . .
C11 Cd5 N29 89.4(2) . .
N33 Cd5 N29 93.2(2) . 6_565
C11 Cd5 N29 89.4(2) . 6_565
N29 Cd5 N29 94.7(3) . 6_565
N33 Cd5 N40 88.6(2) . 6_565
C11 Cd5 N40 88.5(2) . 6_565
N29 Cd5 N40 175.1(2) . 6_565
N29 Cd5 N40 89.7(2) 6_565 6_565
N33 Cd5 N40 88.6(2) . .
C11 Cd5 N40 88.5(2) . .
N29 Cd5 N40 89.7(2) . .
N29 Cd5 N40 175.1(2) 6_565 .
N40 Cd5 N40 85.8(3) 6_565 .
N6 Cd7 N6 180.000(1) . 7_566
N6 Cd7 N1 90.7(2) . .
N6 Cd7 N1 89.3(2) 7_566 .
N6 Cd7 N1 89.3(2) . 7_566
N6 Cd7 N1 90.7(2) 7_566 7_566
N1 Cd7 N1 180.000(1) . 7_566
N6 Cd7 N10 90.8(2) . .
N6 Cd7 N10 89.2(2) 7_566 .
N1 Cd7 N10 92.7(2) . .
N1 Cd7 N10 87.3(2) 7_566 .
N6 Cd7 N10 89.2(2) . 7_566
N6 Cd7 N10 90.8(2) 7_566 7_566
N1 Cd7 N10 87.3(2) . 7_566
N1 Cd7 N10 92.7(2) 7_566 7_566
N10 Cd7 N10 180.000(1) . 7_566
N34 Cd9 N19 91.7(2) . 5_565
N34 Cd9 N19 91.7(2) . 2
N19 Cd9 N19 101.4(3) 5_565 2
N34 Cd9 N43 175.5(3) . 7_465
N19 Cd9 N43 91.12(19) 5_565 7_465
N19 Cd9 N43 91.12(19) 2 7_465
N34 Cd9 N41 89.5(2) . .
N19 Cd9 N41 172.1(2) 5_565 .
N19 Cd9 N41 86.4(2) 2 .
N43 Cd9 N41 87.2(2) 7_465 .
N34 Cd9 N41 89.5(2) . 6_565
N19 Cd9 N41 86.4(2) 5_565 6_565
N19 Cd9 N41 172.1(2) 2 6_565
N43 Cd9 N41 87.2(2) 7_465 6_565
N41 Cd9 N41 85.8(3) . 6_565
N42 Cd10 N42 180.0(3) 7_465 .
N42 Cd10 N44 89.7(2) 7_465 7_465
N42 Cd10 N44 90.3(2) . 7_465
N42 Cd10 N44 90.3(2) 7_465 .
N42 Cd10 N44 89.7(2) . .
N44 Cd10 N44 180.000(1) 7_465 .
N42 Cd10 N20 87.4(2) 7_465 8_465
N42 Cd10 N20 92.6(2) . 8_465
N44 Cd10 N20 90.9(2) 7_465 8_465
N44 Cd10 N20 89.1(2) . 8_465
N42 Cd10 N20 92.6(2) 7_465 2
N42 Cd10 N20 87.4(2) . 2
N44 Cd10 N20 89.1(2) 7_465 2
N44 Cd10 N20 90.9(2) . 2
N20 Cd10 N20 180.000(1) 8_465 2
N31 Cd8 N31 180.0(3) . 5_565
N31 Cd8 N24 87.2(2) . 5_565
N31 Cd8 N24 92.8(2) 5_565 5_565
N31 Cd8 N24 92.8(2) . .
N31 Cd8 N24 87.2(2) 5_565 .
N24 Cd8 N24 180.0(3) 5_565 .
N31 Cd8 N24 87.2(2) . 2
N31 Cd8 N24 92.8(2) 5_565 2
N24 Cd8 N24 87.1(3) 5_565 2
N24 Cd8 N24 92.9(3) . 2
N31 Cd8 N24 92.8(2) . 6_565
N31 Cd8 N24 87.2(2) 5_565 6_565
N24 Cd8 N24 92.9(3) 5_565 6_565
N24 Cd8 N24 87.1(3) . 6_565
N24 Cd8 N24 180.0(2) 2 6_565
N2 N1 C1 107.1(6) . .
N2 N1 Cd7 125.6(5) . .
C1 N1 Cd7 127.2(5) . .
N1 N2 N3 109.6(6) . .
N1 N2 Cd1 123.2(5) . .
N3 N2 Cd1 127.1(5) . .
N2 N3 N4 108.1(6) . .
N2 N3 Cd6 125.0(5) . 2_556
N4 N3 Cd6 126.9(5) . 2_556
C1 N4 N3 106.3(7) . .
N5 N5 N6 109.1(4) 6_565 .
N5 N5 Cd1 124.15(14) 6_565 .
N6 N5 Cd1 126.8(4) . .
C2 N6 N5 105.8(6) . .
C2 N6 Cd7 131.3(5) . .
N5 N6 Cd7 122.5(4) . .
C3 N7 N8 105.9(6) . .
C3 N7 Cd2 127.6(5) . .
N8 N7 Cd2 126.3(4) . .
N9 N8 N7 108.3(5) . .
N9 N8 Cd3 123.8(5) . .
N7 N8 Cd3 127.4(4) . .
N8 N9 N10 109.3(6) . .
N8 N9 Cd1 125.3(4) . .
N10 N9 Cd1 122.2(5) . .
C3 N10 N9 105.2(6) . .
C3 N10 Cd7 130.3(5) . .
N9 N10 Cd7 124.4(5) . .
N12 N11 C4 109.5(9) . .
N13 N12 N11 104.7(7) . .
N13 N12 Cd6 127.1(5) . 2_556
N11 N12 Cd6 128.1(6) . 2_556
N14 N13 N12 111.2(7) . .
N14 N13 Cd1 123.5(6) . .
N12 N13 Cd1 123.5(5) . .
C4 N14 N13 108.0(7) . .
C4 N14 Cd3 124.4(5) . .
N13 N14 Cd3 126.9(5) . .
C6 N17 N18 105.8(6) . .
C6 N17 Cd2 124.7(5) . .
N18 N17 Cd2 128.1(5) . .
N19 N18 N17 109.5(6) . .
N18 N19 N20 106.6(6) . .
N18 N19 Cd9 126.1(5) . 5_565
N20 N19 Cd9 125.7(4) . 5_565
C6 N20 N19 106.6(6) . .
C6 N20 Cd10 125.2(5) . 2
N19 N20 Cd10 126.3(4) . 2
C7 N21 N22 105.4(6) . .
C7 N21 Cd2 128.6(5) . .
N22 N21 Cd2 126.0(4) . .
N23 N22 N21 109.2(6) . .
N23 N22 Cd3 122.6(4) . .
N21 N22 Cd3 127.6(4) . .
N22 N23 N24 109.4(6) . .
N22 N23 Cd4 125.8(5) . .
N24 N23 Cd4 123.3(4) . .
C7 N24 N23 105.3(6) . .
C7 N24 Cd8 128.5(5) . .
N23 N24 Cd8 125.5(5) . .
N25 N25 N26 109.3(3) 6_575 .
N25 N25 Cd2 121.59(14) 6_575 .
N26 N25 Cd2 128.3(4) . .
C8 N26 N25 104.2(7) . .
C8 N26 Cd3 130.6(6) . .
N25 N26 Cd3 123.8(4) . .
C9 N27 N28 106.0(6) . .
C9 N27 Cd3 131.7(5) . .
N28 N27 Cd3 121.4(4) . .
N29 N28 N27 108.2(6) . .
N29 N28 Cd4 121.2(4) . .
N27 N28 Cd4 130.5(4) . .
N28 N29 N30 108.9(6) . .
N28 N29 Cd5 122.5(5) . .
N30 N29 Cd5 128.2(4) . .
C9 N30 N29 106.3(6) . .
C9 N30 Cd6 131.0(5) . .
N29 N30 Cd6 122.7(4) . .
C10 N31 N32 107.9(8) . .
C10 N31 Cd8 127.1(7) . .
N32 N31 Cd8 125.0(6) . .
N33 N32 N31 106.7(8) . .
N33 N32 Cd4 126.6(7) . .
N31 N32 Cd4 126.7(6) . .
N32 N33 N34 109.6(9) . .
N32 N33 Cd5 120.3(7) . .
N34 N33 Cd5 130.1(7) . .
C10 N34 N33 106.8(8) . .
C10 N34 Cd9 126.8(7) . .
N33 N34 Cd9 126.5(7) . .
N35 C11 N35 112.0(9) . 6_565
N35 C11 Cd5 124.0(5) . .
N35 C11 Cd5 124.0(5) 6_565 .
N35 C11 H11 124.0 . .
N35 C11 H11 124.0 6_565 .
Cd5 C11 H11 0.7 . .
C11 N35 N36 105.0(6) . .
C11 N35 Cd6 129.4(5) . .
N36 N35 Cd6 125.6(4) . .
N36 N36 N35 109.1(4) 6_565 .
N36 N36 Cd1 124.20(16) 6_565 2_556
N35 N36 Cd1 126.7(5) . 2_556
N37 N37 N38 108.5(4) 6_575 .
C12 N38 N37 105.7(7) . .
C12 N38 Cd6 128.0(6) . .
N37 N38 Cd6 126.3(5) . .
N40 N41 N42 108.9(6) . .
N40 N41 Cd9 125.1(4) . .
N42 N41 Cd9 125.9(4) . .
N41 N40 N39 109.5(5) . .
N41 N40 Cd5 126.4(4) . .
N39 N40 Cd5 124.1(4) . .
C13 N39 N40 105.4(6) . .
C13 N39 Cd6 128.9(5) . .
N40 N39 Cd6 125.7(4) . .
C13 N42 N41 105.2(6) . .
C13 N42 Cd10 128.2(5) . .
N41 N42 Cd10 126.6(4) . .
N44 N43 N44 108.8(8) . 6_575
N44 N43 Cd9 125.6(4) . 7_465
N44 N43 Cd9 125.6(4) 6_575 7_465
N45 N44 N43 107.4(6) . .
N45 N44 Cd10 125.3(5) . .
N43 N44 Cd10 127.1(5) . .
N44 N45 N45 108.2(4) . 6_575
N1 C1 N4 109.0(6) . .
N1 C1 H1 125.5 . .
N4 C1 H1 125.5 . .
N6 C2 N6 110.1(9) 6_565 .
N6 C2 H2 124.9 6_565 .
N6 C2 H2 124.9 . .
N7 C3 N10 111.3(6) . .
N7 C3 H3 124.4 . .
N10 C3 H3 124.4 . .
N14 C4 N11 106.3(8) . .
N14 C4 H4 126.8 . .
N11 C4 H4 126.8 . .
N20 C6 N17 111.5(7) . .
N20 C6 H6 124.3 . .
N17 C6 H6 124.3 . .
N24 C7 N21 110.6(7) . .
N24 C7 H7 124.7 . .
N21 C7 H7 124.7 . .
N30 C9 N27 110.7(6) . .
N30 C9 H9 124.7 . .
N27 C9 H9 124.7 . .
N34 C10 N31 109.1(9) . .
N34 C10 H10 125.5 . .
N31 C10 H10 125.5 . .
N38 C12 N38 111.7(10) . 6_575
N38 C12 H12 124.1 . .
N38 C12 H12 124.1 6_575 .
N39 C13 N42 111.0(7) . .
N39 C13 H13 124.5 . .
N42 C13 H13 124.5 . .
N26 C8 N26 112.9(10) . 6_575
N26 C8 H8 123.5 . .
N26 C8 H8 123.5 6_575 .
Cd2 Cl1 Cd2 97.37(10) 6_575 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N46 N46 1.29(4) 6_575
N46 N47 1.304(9) .
N46 Cd2 2.310(15) .
N47 C15 1.329(9) .
C15 N47 1.329(9) 6_575
C15 H15 0.9500 .
N46' N47' 1.270(10) .
N46' Cd2 2.27(2) .
N47' C15' 1.315(10) .
C15' N47' 1.315(10) 6_575
C15' H15' 0.9500 .
N15 N15 1.322(12) 6_565
N15 N16 1.346(9) .
N15 Cd1 2.303(7) .
N16 C5 1.309(8) .
N16 Cd3 2.362(6) .
C5 N16 1.309(8) 6_565
C5 Cd4 2.298(9) .
C5 H5 0.9500 .
Cd2 N17 2.325(7) .
Cd2 N7 2.330(6) .
Cd2 N21 2.332(6) .
Cd2 N25 2.481(6) .
Cd2 Cl1 2.592(2) .
Cd3 N27 2.309(6) .
Cd3 N26 2.322(6) .
Cd3 N14 2.353(6) .
Cd3 N22 2.374(6) .
Cd3 N8 2.396(6) .
Cd6 N38 2.313(6) .
Cd6 N30 2.318(6) .
Cd6 N39 2.350(6) .
Cd6 N12 2.362(6) 2_556
Cd6 N3 2.365(6) 2_556
Cd6 N35 2.377(6) .
Cd1 N36 2.298(6) 2_556
Cd1 N5 2.305(6) .
Cd1 N2 2.373(7) .
Cd1 N9 2.377(6) .
Cd1 N13 2.418(8) .
Cd4 N32 2.291(9) .
Cd4 N28 2.303(6) 6_565
Cd4 N28 2.303(6) .
Cd4 N23 2.443(6) .
Cd4 N23 2.443(6) 6_565
Cd5 N33 2.224(10) .
Cd5 C11 2.242(10) .
Cd5 N29 2.378(6) .
Cd5 N29 2.378(6) 6_565
Cd5 N40 2.446(6) 6_565
Cd5 N40 2.446(6) .
Cd7 N6 2.301(6) .
Cd7 N6 2.301(6) 7_566
Cd7 N1 2.340(6) .
Cd7 N1 2.340(6) 7_566
Cd7 N10 2.363(6) .
Cd7 N10 2.363(6) 7_566
Cd9 N34 2.318(8) .
Cd9 N19 2.353(6) 5_565
Cd9 N19 2.353(6) 2
Cd9 N43 2.371(8) 7_465
Cd9 N41 2.413(6) .
Cd9 N41 2.413(6) 6_565
Cd10 N42 2.306(6) 7_465
Cd10 N42 2.306(6) .
Cd10 N44 2.357(6) 7_465
Cd10 N44 2.357(6) .
Cd10 N20 2.368(6) 8_465
Cd10 N20 2.368(6) 2
Cd8 N31 2.339(8) .
Cd8 N31 2.339(8) 5_565
Cd8 N24 2.349(6) 5_565
Cd8 N24 2.349(6) .
Cd8 N24 2.349(6) 2
Cd8 N24 2.349(6) 6_565
N1 N2 1.306(8) .
N1 C1 1.332(9) .
N2 N3 1.317(9) .
N3 N4 1.339(9) .
N3 Cd6 2.365(6) 2_556
N4 C1 1.334(10) .
N5 N5 1.300(11) 6_565
N5 N6 1.354(8) .
N6 C2 1.333(8) .
N7 C3 1.311(9) .
N7 N8 1.347(8) .
N8 N9 1.321(8) .
N9 N10 1.335(8) .
N10 C3 1.335(9) .
N11 N12 1.334(11) .
N11 C4 1.370(13) .
N12 N13 1.326(9) .
N12 Cd6 2.362(6) 2_556
N13 N14 1.322(9) .
N14 C4 1.311(10) .
N17 C6 1.307(10) .
N17 N18 1.338(8) .
N18 N19 1.324(8) .
N19 N20 1.357(8) .
N19 Cd9 2.353(6) 5_565
N20 C6 1.306(9) .
N20 Cd10 2.368(6) 2
N21 C7 1.329(9) .
N21 N22 1.342(8) .
N22 N23 1.298(8) .
N23 N24 1.343(8) .
N24 C7 1.328(9) .
N25 N25 1.294(11) 6_575
N25 N26 1.354(8) .
N26 C8 1.314(9) .
N27 C9 1.330(9) .
N27 N28 1.357(8) .
N28 N29 1.325(8) .
N29 N30 1.345(8) .
N30 C9 1.325(9) .
N31 C10 1.326(11) .
N31 N32 1.341(12) .
N32 N33 1.312(12) .
N33 N34 1.338(12) .
N34 C10 1.310(12) .
C11 N35 1.317(8) .
C11 N35 1.317(8) 6_565
C11 H11 0.9500 .
N35 N36 1.347(8) .
N36 N36 1.304(12) 6_565
N36 Cd1 2.298(6) 2_556
N37 N37 1.286(14) 6_575
N37 N38 1.363(9) .
N38 C12 1.298(8) .
N41 N40 1.312(8) .
N41 N42 1.340(8) .
N40 N39 1.337(8) .
N39 C13 1.322(9) .
N42 C13 1.337(9) .
N43 N44 1.324(7) .
N43 N44 1.324(7) 6_575
N43 Cd9 2.371(8) 7_465
N44 N45 1.323(9) .
N45 N45 1.326(14) 6_575
C1 H1 0.9500 .
C2 N6 1.333(8) 6_565
C2 H2 0.9500 .
C3 H3 0.9500 .
C4 H4 0.9500 .
C6 H6 0.9500 .
C7 H7 0.9500 .
C9 H9 0.9500 .
C10 H10 0.9500 .
C12 N38 1.298(8) 6_575
C12 H12 0.9500 .
C13 H13 0.9500 .
C8 N26 1.314(9) 6_575
C8 H8 0.9500 .
Cl1 Cd2 2.592(2) 6_575
O4W O4'W 1.06(5) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N46 N46 N47 C15 -4(2) 6_575 .
Cd2 N46 N47 C15 169(2) . .
N46 N47 C15 N47 7(4) . 6_575
Cd2 N46' N47' C15' -128(3) . .
N46' N47' C15' N47' 50(6) . 6_575
N15 N15 N16 C5 1.0(7) 6_565 .
Cd1 N15 N16 C5 -172.5(6) . .
N15 N15 N16 Cd3 -176.6(3) 6_565 .
Cd1 N15 N16 Cd3 9.9(9) . .
N15 N16 C5 N16 -1.7(11) . 6_565
Cd3 N16 C5 N16 175.8(3) . 6_565
N15 N16 C5 Cd4 174.3(6) . .
Cd3 N16 C5 Cd4 -8.2(11) . .
N47' N46' Cd2 N46 114(5) . .
N47' N46' Cd2 N17 -24(4) . .
N47' N46' Cd2 N7 -99(14) . .
N47' N46' Cd2 N21 -117(4) . .
N47' N46' Cd2 N25 158(4) . .
N47' N46' Cd2 Cl1 69(4) . .
N46 N46 Cd2 N46' -169(3) 6_575 .
N47 N46 Cd2 N46' 19(2) . .
N46 N46 Cd2 N17 -126.5(3) 6_575 .
N47 N46 Cd2 N17 61.3(17) . .
N46 N46 Cd2 N7 17.2(17) 6_575 .
N47 N46 Cd2 N7 -155.1(12) . .
N46 N46 Cd2 N21 140.3(3) 6_575 .
N47 N46 Cd2 N21 -31.9(17) . .
N46 N46 Cd2 N25 54.5(3) 6_575 .
N47 N46 Cd2 N25 -117.7(17) . .
N46 N46 Cd2 Cl1 -34.7(3) 6_575 .
N47 N46 Cd2 Cl1 153.1(17) . .
C5 N16 Cd3 N27 48.2(8) . .
N15 N16 Cd3 N27 -134.7(6) . .
C5 N16 Cd3 N26 -117.0(11) . .
N15 N16 Cd3 N26 60.0(13) . .
C5 N16 Cd3 N14 136.5(7) . .
N15 N16 Cd3 N14 -46.5(6) . .
C5 N16 Cd3 N22 -44.0(7) . .
N15 N16 Cd3 N22 133.1(6) . .
C5 N16 Cd3 N8 -134.1(8) . .
N15 N16 Cd3 N8 43.0(6) . .
N15 N15 Cd1 N36 -46.6(2) 6_565 2_556
N16 N15 Cd1 N36 126.0(6) . 2_556
N15 N15 Cd1 N5 44.7(2) 6_565 .
N16 N15 Cd1 N5 -142.7(6) . .
N15 N15 Cd1 N2 -166(5) 6_565 .
N16 N15 Cd1 N2 6(5) . .
N15 N15 Cd1 N9 136.3(2) 6_565 .
N16 N15 Cd1 N9 -51.1(6) . .
N15 N15 Cd1 N13 -135.5(2) 6_565 .
N16 N15 Cd1 N13 37.1(6) . .
N16 C5 Cd4 N32 92.2(8) . .
N16 C5 Cd4 N32 -92.2(8) 6_565 .
N16 C5 Cd4 N28 -137.6(8) . 6_565
N16 C5 Cd4 N28 37.9(8) 6_565 6_565
N16 C5 Cd4 N28 -37.9(8) . .
N16 C5 Cd4 N28 137.6(8) 6_565 .
N16 C5 Cd4 N23 48.6(8) . .
N16 C5 Cd4 N23 -135.9(8) 6_565 .
N16 C5 Cd4 N23 135.9(8) . 6_565
N16 C5 Cd4 N23 -48.6(8) 6_565 6_565
N6 Cd7 N1 N2 -42.3(6) . .
N6 Cd7 N1 N2 137.7(6) 7_566 .
N1 Cd7 N1 N2 -153(100) 7_566 .
N10 Cd7 N1 N2 48.5(6) . .
N10 Cd7 N1 N2 -131.5(6) 7_566 .
N6 Cd7 N1 C1 133.4(7) . .
N6 Cd7 N1 C1 -46.6(7) 7_566 .
N1 Cd7 N1 C1 23(100) 7_566 .
N10 Cd7 N1 C1 -135.7(7) . .
N10 Cd7 N1 C1 44.3(7) 7_566 .
C1 N1 N2 N3 0.6(9) . .
Cd7 N1 N2 N3 177.1(5) . .
C1 N1 N2 Cd1 176.5(5) . .
Cd7 N1 N2 Cd1 -7.1(9) . .
N36 Cd1 N2 N1 140.8(6) 2_556 .
N15 Cd1 N2 N1 -99(5) . .
N5 Cd1 N2 N1 49.6(6) . .
N9 Cd1 N2 N1 -42.1(6) . .
N13 Cd1 N2 N1 -130.3(6) . .
N36 Cd1 N2 N3 -44.0(7) 2_556 .
N15 Cd1 N2 N3 76(5) . .
N5 Cd1 N2 N3 -135.3(6) . .
N9 Cd1 N2 N3 133.0(6) . .
N13 Cd1 N2 N3 44.9(7) . .
N1 N2 N3 N4 -0.9(9) . .
Cd1 N2 N3 N4 -176.6(5) . .
N1 N2 N3 Cd6 177.0(5) . 2_556
Cd1 N2 N3 Cd6 1.4(9) . 2_556
N2 N3 N4 C1 0.8(9) . .
Cd6 N3 N4 C1 -177.0(5) 2_556 .
N36 Cd1 N5 N5 46.06(19) 2_556 6_565
N15 Cd1 N5 N5 -44.9(2) . 6_565
N2 Cd1 N5 N5 136.6(2) . 6_565
N9 Cd1 N5 N5 -132.05(18) . 6_565
N13 Cd1 N5 N5 140(6) . 6_565
N36 Cd1 N5 N6 -132.8(6) 2_556 .
N15 Cd1 N5 N6 136.3(6) . .
N2 Cd1 N5 N6 -42.2(6) . .
N9 Cd1 N5 N6 49.1(6) . .
N13 Cd1 N5 N6 -39(6) . .
N5 N5 N6 C2 0.5(7) 6_565 .
Cd1 N5 N6 C2 179.4(7) . .
N5 N5 N6 Cd7 174.3(3) 6_565 .
Cd1 N5 N6 Cd7 -6.7(8) . .
N6 Cd7 N6 C2 0(15) 7_566 .
N1 Cd7 N6 C2 -137.9(9) . .
N1 Cd7 N6 C2 42.1(9) 7_566 .
N10 Cd7 N6 C2 129.4(9) . .
N10 Cd7 N6 C2 -50.6(9) 7_566 .
N6 Cd7 N6 N5 -172(15) 7_566 .
N1 Cd7 N6 N5 49.9(6) . .
N1 Cd7 N6 N5 -130.1(6) 7_566 .
N10 Cd7 N6 N5 -42.8(6) . .
N10 Cd7 N6 N5 137.2(6) 7_566 .
N46' Cd2 N7 C3 131(14) . .
N46 Cd2 N7 C3 -87.1(17) . .
N17 Cd2 N7 C3 56.9(7) . .
N21 Cd2 N7 C3 149.7(7) . .
N25 Cd2 N7 C3 -124.8(7) . .
Cl1 Cd2 N7 C3 -35.9(7) . .
N46' Cd2 N7 N8 -54(14) . .
N46 Cd2 N7 N8 87.1(16) . .
N17 Cd2 N7 N8 -128.9(6) . .
N21 Cd2 N7 N8 -36.0(6) . .
N25 Cd2 N7 N8 49.4(6) . .
Cl1 Cd2 N7 N8 138.3(6) . .
C3 N7 N8 N9 1.0(8) . .
Cd2 N7 N8 N9 -174.3(5) . .
C3 N7 N8 Cd3 172.7(5) . .
Cd2 N7 N8 Cd3 -2.5(9) . .
N27 Cd3 N8 N9 -43(2) . .
N26 Cd3 N8 N9 120.7(6) . .
N14 Cd3 N8 N9 28.4(6) . .
N16 Cd3 N8 N9 -63.0(6) . .
N22 Cd3 N8 N9 -148.5(6) . .
N27 Cd3 N8 N7 146.2(16) . .
N26 Cd3 N8 N7 -49.9(6) . .
N14 Cd3 N8 N7 -142.3(6) . .
N16 Cd3 N8 N7 126.4(6) . .
N22 Cd3 N8 N7 40.9(6) . .
N7 N8 N9 N10 -1.4(8) . .
Cd3 N8 N9 N10 -173.5(5) . .
N7 N8 N9 Cd1 -161.6(5) . .
Cd3 N8 N9 Cd1 26.3(8) . .
N36 Cd1 N9 N8 -25(4) 2_556 .
N15 Cd1 N9 N8 30.0(6) . .
N5 Cd1 N9 N8 122.8(6) . .
N2 Cd1 N9 N8 -147.5(6) . .
N13 Cd1 N9 N8 -59.6(6) . .
N36 Cd1 N9 N10 177(3) 2_556 .
N15 Cd1 N9 N10 -127.8(6) . .
N5 Cd1 N9 N10 -35.0(6) . .
N2 Cd1 N9 N10 54.7(6) . .
N13 Cd1 N9 N10 142.6(6) . .
N8 N9 N10 C3 1.2(8) . .
Cd1 N9 N10 C3 162.2(5) . .
N8 N9 N10 Cd7 -176.3(5) . .
Cd1 N9 N10 Cd7 -15.3(8) . .
N6 Cd7 N10 C3 -120.8(7) . .
N6 Cd7 N10 C3 59.2(7) 7_566 .
N1 Cd7 N10 C3 148.4(7) . .
N1 Cd7 N10 C3 -31.6(7) 7_566 .
N10 Cd7 N10 C3 -30(100) 7_566 .
N6 Cd7 N10 N9 56.0(6) . .
N6 Cd7 N10 N9 -124.0(6) 7_566 .
N1 Cd7 N10 N9 -34.7(6) . .
N1 Cd7 N10 N9 145.3(6) 7_566 .
N10 Cd7 N10 N9 147(100) 7_566 .
C4 N11 N12 N13 -2.8(12) . .
C4 N11 N12 Cd6 177.0(7) . 2_556
N11 N12 N13 N14 4.1(10) . .
Cd6 N12 N13 N14 -175.7(5) 2_556 .
N11 N12 N13 Cd1 169.2(7) . .
Cd6 N12 N13 Cd1 -10.6(10) 2_556 .
N36 Cd1 N13 N14 -145.2(7) 2_556 .
N15 Cd1 N13 N14 -54.3(7) . .
N5 Cd1 N13 N14 121(6) . .
N2 Cd1 N13 N14 124.2(7) . .
N9 Cd1 N13 N14 32.8(7) . .
N36 Cd1 N13 N12 51.5(7) 2_556 .
N15 Cd1 N13 N12 142.4(7) . .
N5 Cd1 N13 N12 -42(6) . .
N2 Cd1 N13 N12 -39.1(7) . .
N9 Cd1 N13 N12 -130.5(7) . .
N12 N13 N14 C4 -3.9(10) . .
Cd1 N13 N14 C4 -169.0(6) . .
N12 N13 N14 Cd3 -174.5(5) . .
Cd1 N13 N14 Cd3 20.4(10) . .
N27 Cd3 N14 C4 -50.9(7) . .
N26 Cd3 N14 C4 51.2(7) . .
N16 Cd3 N14 C4 -140.8(7) . .
N22 Cd3 N14 C4 -149(3) . .
N8 Cd3 N14 C4 135.5(7) . .
N27 Cd3 N14 N13 118.2(7) . .
N26 Cd3 N14 N13 -139.6(7) . .
N16 Cd3 N14 N13 28.3(7) . .
N22 Cd3 N14 N13 20(4) . .
N8 Cd3 N14 N13 -55.3(7) . .
N46' Cd2 N17 C6 77.9(10) . .
N46 Cd2 N17 C6 65.2(8) . .
N7 Cd2 N17 C6 -105.0(7) . .
N21 Cd2 N17 C6 160.2(7) . .
N25 Cd2 N17 C6 -129(3) . .
Cl1 Cd2 N17 C6 -17.2(7) . .
N46' Cd2 N17 N18 -86.2(10) . .
N46 Cd2 N17 N18 -98.9(8) . .
N7 Cd2 N17 N18 90.9(7) . .
N21 Cd2 N17 N18 -3.9(7) . .
N25 Cd2 N17 N18 67(3) . .
Cl1 Cd2 N17 N18 178.7(7) . .
C6 N17 N18 N19 0.3(10) . .
Cd2 N17 N18 N19 166.7(5) . .
N17 N18 N19 N20 0.0(9) . .
N17 N18 N19 Cd9 -166.2(5) . 5_565
N18 N19 N20 C6 -0.3(9) . .
Cd9 N19 N20 C6 166.0(6) 5_565 .
N18 N19 N20 Cd10 -165.2(5) . 2
Cd9 N19 N20 Cd10 1.1(9) 5_565 2
N46' Cd2 N21 C7 32.1(10) . .
N46 Cd2 N21 C7 47.0(8) . .
N17 Cd2 N21 C7 -52.1(7) . .
N7 Cd2 N21 C7 -147.0(7) . .
N25 Cd2 N21 C7 131.9(7) . .
Cl1 Cd2 N21 C7 102.8(16) . .
N46' Cd2 N21 N22 -150.0(9) . .
N46 Cd2 N21 N22 -135.1(7) . .
N17 Cd2 N21 N22 125.8(6) . .
N7 Cd2 N21 N22 31.0(6) . .
N25 Cd2 N21 N22 -50.2(6) . .
Cl1 Cd2 N21 N22 -79.2(18) . .
C7 N21 N22 N23 2.1(8) . .
Cd2 N21 N22 N23 -176.2(5) . .
C7 N21 N22 Cd3 -169.5(5) . .
Cd2 N21 N22 Cd3 12.2(9) . .
N27 Cd3 N22 N23 -30.4(6) . .
N26 Cd3 N22 N23 -132.7(6) . .
N14 Cd3 N22 N23 67(4) . .
N16 Cd3 N22 N23 59.3(6) . .
N8 Cd3 N22 N23 143.0(6) . .
N27 Cd3 N22 N21 140.1(6) . .
N26 Cd3 N22 N21 37.8(6) . .
N14 Cd3 N22 N21 -122(4) . .
N16 Cd3 N22 N21 -130.1(6) . .
N8 Cd3 N22 N21 -46.5(6) . .
N21 N22 N23 N24 -1.7(8) . .
Cd3 N22 N23 N24 170.4(4) . .
N21 N22 N23 Cd4 164.7(5) . .
Cd3 N22 N23 Cd4 -23.2(8) . .
N32 Cd4 N23 N22 149.0(6) . .
C5 Cd4 N23 N22 -31.4(6) . .
N28 Cd4 N23 N22 -98.2(19) 6_565 .
N28 Cd4 N23 N22 57.6(6) . .
N23 Cd4 N23 N22 -119.9(5) 6_565 .
N32 Cd4 N23 N24 -46.4(6) . .
C5 Cd4 N23 N24 133.2(6) . .
N28 Cd4 N23 N24 66(2) 6_565 .
N28 Cd4 N23 N24 -137.8(6) . .
N23 Cd4 N23 N24 44.7(6) 6_565 .
N22 N23 N24 C7 0.7(8) . .
Cd4 N23 N24 C7 -166.2(5) . .
N22 N23 N24 Cd8 172.0(4) . .
Cd4 N23 N24 Cd8 5.1(8) . .
N31 Cd8 N24 C7 -151.8(7) . .
N31 Cd8 N24 C7 28.2(7) 5_565 .
N24 Cd8 N24 C7 42.6(5) 5_565 .
N24 Cd8 N24 C7 -64.4(6) 2 .
N24 Cd8 N24 C7 115.6(6) 6_565 .
N31 Cd8 N24 N23 39.0(6) . .
N31 Cd8 N24 N23 -141.0(6) 5_565 .
N24 Cd8 N24 N23 -126.7(8) 5_565 .
N24 Cd8 N24 N23 126.3(6) 2 .
N24 Cd8 N24 N23 -53.7(6) 6_565 .
N46' Cd2 N25 N25 -65.2(7) . 6_575
N46 Cd2 N25 N25 -52.2(4) . 6_575
N17 Cd2 N25 N25 142(3) . 6_575
N7 Cd2 N25 N25 117.71(19) . 6_575
N21 Cd2 N25 N25 -147.11(18) . 6_575
Cl1 Cd2 N25 N25 29.95(11) . 6_575
N46' Cd2 N25 N26 126.2(9) . .
N46 Cd2 N25 N26 139.2(7) . .
N17 Cd2 N25 N26 -26(3) . .
N7 Cd2 N25 N26 -50.9(6) . .
N21 Cd2 N25 N26 44.3(6) . .
Cl1 Cd2 N25 N26 -138.7(6) . .
N25 N25 N26 C8 -1.1(7) 6_575 .
Cd2 N25 N26 C8 168.6(7) . .
N25 N25 N26 Cd3 -168.6(3) 6_575 .
Cd2 N25 N26 Cd3 1.1(8) . .
N27 Cd3 N26 C8 61.3(9) . .
N14 Cd3 N26 C8 -27.5(9) . .
N16 Cd3 N26 C8 -133.9(11) . .
N22 Cd3 N26 C8 153.6(9) . .
N8 Cd3 N26 C8 -116.8(9) . .
N27 Cd3 N26 N25 -134.8(5) . .
N14 Cd3 N26 N25 136.5(6) . .
N16 Cd3 N26 N25 30.1(13) . .
N22 Cd3 N26 N25 -42.4(6) . .
N8 Cd3 N26 N25 47.2(5) . .
N26 Cd3 N27 C9 -50.3(7) . .
N14 Cd3 N27 C9 41.7(7) . .
N16 Cd3 N27 C9 133.0(7) . .
N22 Cd3 N27 C9 -141.5(7) . .
N8 Cd3 N27 C9 113.4(18) . .
N26 Cd3 N27 N28 142.3(5) . .
N14 Cd3 N27 N28 -125.7(5) . .
N16 Cd3 N27 N28 -34.4(5) . .
N22 Cd3 N27 N28 51.1(5) . .
N8 Cd3 N27 N28 -54(2) . .
C9 N27 N28 N29 0.1(8) . .
Cd3 N27 N28 N29 170.4(4) . .
C9 N27 N28 Cd4 176.4(5) . .
Cd3 N27 N28 Cd4 -13.3(8) . .
N32 Cd4 N28 N29 48.7(6) . .
C5 Cd4 N28 N29 -131.7(6) . .
N28 Cd4 N28 N29 -43.0(7) 6_565 .
N23 Cd4 N28 N29 139.7(6) . .
N23 Cd4 N28 N29 161.5(16) 6_565 .
N32 Cd4 N28 N27 -127.2(6) . .
C5 Cd4 N28 N27 52.4(6) . .
N28 Cd4 N28 N27 141.1(5) 6_565 .
N23 Cd4 N28 N27 -36.1(6) . .
N23 Cd4 N28 N27 -14(2) 6_565 .
N27 N28 N29 N30 -0.4(8) . .
Cd4 N28 N29 N30 -177.1(4) . .
N27 N28 N29 Cd5 173.0(4) . .
Cd4 N28 N29 Cd5 -3.7(7) . .
N33 Cd5 N29 N28 -46.3(6) . .
C11 Cd5 N29 N28 136.6(6) . .
N29 Cd5 N29 N28 47.2(6) 6_565 .
N40 Cd5 N29 N28 -158(2) 6_565 .
N40 Cd5 N29 N28 -134.9(6) . .
N33 Cd5 N29 N30 125.8(6) . .
C11 Cd5 N29 N30 -51.3(6) . .
N29 Cd5 N29 N30 -140.7(5) 6_565 .
N40 Cd5 N29 N30 14(3) 6_565 .
N40 Cd5 N29 N30 37.2(6) . .
N28 N29 N30 C9 0.5(8) . .
Cd5 N29 N30 C9 -172.5(5) . .
N28 N29 N30 Cd6 -177.2(4) . .
Cd5 N29 N30 Cd6 9.9(8) . .
N38 Cd6 N30 C9 40.3(7) . .
N39 Cd6 N30 C9 131.4(7) . .
N12 Cd6 N30 C9 -51.9(7) 2_556 .
N3 Cd6 N30 C9 -43(51) 2_556 .
N35 Cd6 N30 C9 -141.8(7) . .
N38 Cd6 N30 N29 -142.6(6) . .
N39 Cd6 N30 N29 -51.5(6) . .
N12 Cd6 N30 N29 125.2(6) 2_556 .
N3 Cd6 N30 N29 134(51) 2_556 .
N35 Cd6 N30 N29 35.2(6) . .
N31 Cd8 N31 C10 180.000(18) 5_565 .
N24 Cd8 N31 C10 -43.63(15) 5_565 .
N24 Cd8 N31 C10 136.37(15) . .
N24 Cd8 N31 C10 43.63(15) 2 .
N24 Cd8 N31 C10 -136.37(15) 6_565 .
N31 Cd8 N31 N32 0.000(18) 5_565 .
N24 Cd8 N31 N32 136.37(15) 5_565 .
N24 Cd8 N31 N32 -43.63(15) . .
N24 Cd8 N31 N32 -136.37(15) 2 .
N24 Cd8 N31 N32 43.63(15) 6_565 .
C10 N31 N32 N33 0.0 . .
Cd8 N31 N32 N33 180.0 . .
C10 N31 N32 Cd4 180.0 . .
Cd8 N31 N32 Cd4 0.0 . .
C5 Cd4 N32 N33 180.000(17) . .
N28 Cd4 N32 N33 49.84(15) 6_565 .
N28 Cd4 N32 N33 -49.84(15) . .
N23 Cd4 N32 N33 -136.33(15) . .
N23 Cd4 N32 N33 136.33(15) 6_565 .
C5 Cd4 N32 N31 0.000(17) . .
N28 Cd4 N32 N31 -130.16(15) 6_565 .
N28 Cd4 N32 N31 130.16(15) . .
N23 Cd4 N32 N31 43.67(15) . .
N23 Cd4 N32 N31 -43.67(15) 6_565 .
N31 N32 N33 N34 0.0 . .
Cd4 N32 N33 N34 180.0 . .
N31 N32 N33 Cd5 180.0 . .
Cd4 N32 N33 Cd5 0.0 . .
C11 Cd5 N33 N32 180.000(3) . .
N29 Cd5 N33 N32 47.47(15) . .
N29 Cd5 N33 N32 -47.47(15) 6_565 .
N40 Cd5 N33 N32 -137.07(14) 6_565 .
N40 Cd5 N33 N32 137.07(14) . .
C11 Cd5 N33 N34 0.000(3) . .
N29 Cd5 N33 N34 -132.53(15) . .
N29 Cd5 N33 N34 132.53(15) 6_565 .
N40 Cd5 N33 N34 42.93(14) 6_565 .
N40 Cd5 N33 N34 -42.93(14) . .
N32 N33 N34 C10 0.0 . .
Cd5 N33 N34 C10 180.0 . .
N32 N33 N34 Cd9 180.0 . .
Cd5 N33 N34 Cd9 0.0 . .
N19 Cd9 N34 C10 50.74(15) 5_565 .
N19 Cd9 N34 C10 -50.74(15) 2 .
N43 Cd9 N34 C10 180.0 7_465 .
N41 Cd9 N34 C10 -137.11(14) . .
N41 Cd9 N34 C10 137.11(14) 6_565 .
N19 Cd9 N34 N33 -129.26(15) 5_565 .
N19 Cd9 N34 N33 129.26(15) 2 .
N43 Cd9 N34 N33 0.000(1) 7_465 .
N41 Cd9 N34 N33 42.89(14) . .
N41 Cd9 N34 N33 -42.89(14) 6_565 .
N33 Cd5 C11 N35 -90.4(8) . .
N29 Cd5 C11 N35 42.2(8) . .
N29 Cd5 C11 N35 136.9(8) 6_565 .
N40 Cd5 C11 N35 -133.4(8) 6_565 .
N40 Cd5 C11 N35 -47.5(8) . .
N33 Cd5 C11 N35 90.4(8) . 6_565
N29 Cd5 C11 N35 -136.9(8) . 6_565
N29 Cd5 C11 N35 -42.2(8) 6_565 6_565
N40 Cd5 C11 N35 47.5(8) 6_565 6_565
N40 Cd5 C11 N35 133.4(8) . 6_565
N35 C11 N35 N36 -0.3(11) 6_565 .
Cd5 C11 N35 N36 -179.5(6) . .
N35 C11 N35 Cd6 -178.7(3) 6_565 .
Cd5 C11 N35 Cd6 2.1(11) . .
N38 Cd6 N35 C11 53(6) . .
N30 Cd6 N35 C11 -45.3(7) . .
N39 Cd6 N35 C11 46.1(7) . .
N12 Cd6 N35 C11 -138.7(7) 2_556 .
N3 Cd6 N35 C11 135.0(7) 2_556 .
N38 Cd6 N35 N36 -125(5) . .
N30 Cd6 N35 N36 136.7(6) . .
N39 Cd6 N35 N36 -132.0(6) . .
N12 Cd6 N35 N36 43.2(6) 2_556 .
N3 Cd6 N35 N36 -43.1(6) 2_556 .
C11 N35 N36 N36 0.2(6) . 6_565
Cd6 N35 N36 N36 178.6(3) . 6_565
C11 N35 N36 Cd1 -178.2(6) . 2_556
Cd6 N35 N36 Cd1 0.3(8) . 2_556
N37 N37 N38 C12 0.5(7) 6_575 .
N37 N37 N38 Cd6 -177.0(3) 6_575 .
N30 Cd6 N38 C12 -133.2(8) . .
N39 Cd6 N38 C12 135.4(8) . .
N12 Cd6 N38 C12 -39.7(8) 2_556 .
N3 Cd6 N38 C12 46.5(8) 2_556 .
N35 Cd6 N38 C12 128(5) . .
N30 Cd6 N38 N37 43.7(6) . .
N39 Cd6 N38 N37 -47.6(6) . .
N12 Cd6 N38 N37 137.2(6) 2_556 .
N3 Cd6 N38 N37 -136.6(6) 2_556 .
N35 Cd6 N38 N37 -55(6) . .
N34 Cd9 N41 N40 -38.1(6) . .
N19 Cd9 N41 N40 61.0(17) 5_565 .
N19 Cd9 N41 N40 -129.9(6) 2 .
N43 Cd9 N41 N40 138.8(6) 7_465 .
N41 Cd9 N41 N40 51.5(6) 6_565 .
N34 Cd9 N41 N42 137.4(6) . .
N19 Cd9 N41 N42 -123.5(14) 5_565 .
N19 Cd9 N41 N42 45.6(6) 2 .
N43 Cd9 N41 N42 -45.7(5) 7_465 .
N41 Cd9 N41 N42 -133.0(5) 6_565 .
N42 N41 N40 N39 -0.4(8) . .
Cd9 N41 N40 N39 175.7(4) . .
N42 N41 N40 Cd5 179.7(4) . .
Cd9 N41 N40 Cd5 -4.2(8) . .
N33 Cd5 N40 N41 44.3(6) . .
C11 Cd5 N40 N41 -133.0(6) . .
N29 Cd5 N40 N41 137.6(6) . .
N29 Cd5 N40 N41 -68(3) 6_565 .
N40 Cd5 N40 N41 -44.4(6) 6_565 .
N33 Cd5 N40 N39 -135.5(6) . .
C11 Cd5 N40 N39 47.1(6) . .
N29 Cd5 N40 N39 -42.3(6) . .
N29 Cd5 N40 N39 112(3) 6_565 .
N40 Cd5 N40 N39 135.8(5) 6_565 .
N41 N40 N39 C13 0.9(8) . .
Cd5 N40 N39 C13 -179.2(5) . .
N41 N40 N39 Cd6 -179.4(4) . .
Cd5 N40 N39 Cd6 0.5(8) . .
N38 Cd6 N39 C13 -44.0(7) . .
N30 Cd6 N39 C13 -134.7(7) . .
N12 Cd6 N39 C13 80(2) 2_556 .
N3 Cd6 N39 C13 45.3(7) 2_556 .
N35 Cd6 N39 C13 135.7(7) . .
N38 Cd6 N39 N40 136.4(6) . .
N30 Cd6 N39 N40 45.8(6) . .
N12 Cd6 N39 N40 -100(2) 2_556 .
N3 Cd6 N39 N40 -134.2(6) 2_556 .
N35 Cd6 N39 N40 -43.8(6) . .
N40 N41 N42 C13 -0.3(8) . .
Cd9 N41 N42 C13 -176.4(5) . .
N40 N41 N42 Cd10 177.7(5) . .
Cd9 N41 N42 Cd10 1.6(8) . .
N42 Cd10 N42 C13 102(100) 7_465 .
N44 Cd10 N42 C13 -140.5(7) 7_465 .
N44 Cd10 N42 C13 39.5(7) . .
N20 Cd10 N42 C13 -49.5(7) 8_465 .
N20 Cd10 N42 C13 130.5(7) 2 .
N42 Cd10 N42 N41 -76(100) 7_465 .
N44 Cd10 N42 N41 42.0(6) 7_465 .
N44 Cd10 N42 N41 -138.0(6) . .
N20 Cd10 N42 N41 132.9(6) 8_465 .
N20 Cd10 N42 N41 -47.1(6) 2 .
N44 N43 N44 N45 0.3(11) 6_575 .
Cd9 N43 N44 N45 -177.5(6) 7_465 .
N44 N43 N44 Cd10 -174.6(2) 6_575 .
Cd9 N43 N44 Cd10 7.5(10) 7_465 .
N42 Cd10 N44 N45 -134.6(7) 7_465 .
N42 Cd10 N44 N45 45.4(7) . .
N44 Cd10 N44 N45 -14(54) 7_465 .
N20 Cd10 N44 N45 138.0(7) 8_465 .
N20 Cd10 N44 N45 -42.0(7) 2 .
N42 Cd10 N44 N43 39.5(7) 7_465 .
N42 Cd10 N44 N43 -140.5(7) . .
N44 Cd10 N44 N43 160(54) 7_465 .
N20 Cd10 N44 N43 -47.9(7) 8_465 .
N20 Cd10 N44 N43 132.1(7) 2 .
N43 N44 N45 N45 -0.2(7) . 6_575
Cd10 N44 N45 N45 174.9(3) . 6_575
N2 N1 C1 N4 -0.1(9) . .
Cd7 N1 C1 N4 -176.5(5) . .
N3 N4 C1 N1 -0.5(10) . .
N5 N6 C2 N6 -0.8(12) . 6_565
Cd7 N6 C2 N6 -173.9(3) . 6_565
N8 N7 C3 N10 -0.2(9) . .
Cd2 N7 C3 N10 175.0(5) . .
N9 N10 C3 N7 -0.6(9) . .
Cd7 N10 C3 N7 176.7(5) . .
N13 N14 C4 N11 2.0(11) . .
Cd3 N14 C4 N11 172.9(7) . .
N12 N11 C4 N14 0.5(13) . .
N19 N20 C6 N17 0.5(10) . .
Cd10 N20 C6 N17 165.6(6) 2 .
N18 N17 C6 N20 -0.5(10) . .
Cd2 N17 C6 N20 -167.5(6) . .
N23 N24 C7 N21 0.7(9) . .
Cd8 N24 C7 N21 -170.3(5) . .
N22 N21 C7 N24 -1.7(9) . .
Cd2 N21 C7 N24 176.6(5) . .
N29 N30 C9 N27 -0.4(9) . .
Cd6 N30 C9 N27 177.0(5) . .
N28 N27 C9 N30 0.2(9) . .
Cd3 N27 C9 N30 -168.7(5) . .
N33 N34 C10 N31 0.0 . .
Cd9 N34 C10 N31 180.0 . .
N32 N31 C10 N34 0.0 . .
Cd8 N31 C10 N34 180.0 . .
N37 N38 C12 N38 -0.9(12) . 6_575
Cd6 N38 C12 N38 176.5(3) . 6_575
N40 N39 C13 N42 -1.2(9) . .
Cd6 N39 C13 N42 179.2(5) . .
N41 N42 C13 N39 0.9(9) . .
Cd10 N42 C13 N39 -177.0(5) . .
N25 N26 C8 N26 1.9(13) . 6_575
Cd3 N26 C8 N26 168.2(4) . 6_575
N46' Cd2 Cl1 Cd2 59.0(8) . 6_575
N46 Cd2 Cl1 Cd2 45.3(5) . 6_575
N17 Cd2 Cl1 Cd2 143.8(2) . 6_575
N7 Cd2 Cl1 Cd2 -121.65(18) . 6_575
N21 Cd2 Cl1 Cd2 -11.1(16) . 6_575
N25 Cd2 Cl1 Cd2 -40.10(17) . 6_575
