#------------------------------------------------------------------------------
#$Date: 2019-11-05 20:16:43 +0200 (Tue, 05 Nov 2019) $
#$Revision: 223359 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/17/7701789.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_7701789
loop_
_publ_author_name
'Mikata, Yuji'
'Kaneda, Minori'
'Konno, Hideo'
'Matsumoto, Arimasa'
'Sato, Shin-Ichiro'
'Kawamura, Masaya'
'Iwatsuki, Satoshi'
_publ_section_title
;
 Methoxy-substituted tetrakisquinoline analogs of EGTA and BAPTA for
 fluorescence detection of Cd²⁺ .
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3840
_journal_page_last               3852
_journal_paper_doi               10.1039/c8dt04735a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C62 H60 Cd2 Cl4 N10 O20'
_chemical_formula_sum            'C62 H60 Cd2 Cl4 N10 O20'
_chemical_formula_weight         1631.84
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2018-11-22 deposited with the CCDC.
2019-01-30 downloaded from the CCDC.
;
_cell_angle_alpha                103.789(3)
_cell_angle_beta                 90.8890(10)
_cell_angle_gamma                108.016(3)
_cell_formula_units_Z            2
_cell_length_a                   12.3738(8)
_cell_length_b                   17.9552(14)
_cell_length_c                   18.3514(13)
_cell_measurement_reflns_used    8060
_cell_measurement_temperature    153
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      3.00
_cell_volume                     3747.9(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.2.5'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_structure_refinement  'SHELXL Version 2016/6 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      153
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            36976
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.467
_diffrn_reflns_theta_min         3.012
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.783
_exptl_absorpt_correction_T_max  0.962
_exptl_absorpt_correction_T_min  0.804
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_F_000             1652.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.35
_refine_diff_density_min         -1.55
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     887
_refine_ls_number_reflns         16805
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0584
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0729P)²+8.5004P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1533
_refine_ls_wR_factor_ref         0.1653
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13812
_reflns_number_total             16805
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c8dt04735a2.cif
_cod_data_source_block           BAPTQ-Cd(ClO4)2-171115
_cod_database_code               7701789
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Cd1 Cd 0.09935(2) 0.30042(2) 0.50741(2) 0.02760(9) Uani 1 1 d . .
Cd2 Cd 0.21209(3) 0.28984(2) 0.99589(2) 0.03001(9) Uani 1 1 d . .
Cl1 Cl 0.37054(10) 0.17238(8) 0.33684(6) 0.0432(3) Uani 1 1 d . .
Cl2 Cl 0.41502(10) 0.38784(7) 0.77385(6) 0.0399(2) Uani 1 1 d . .
Cl3 Cl -0.03225(18) 0.33168(14) 1.25903(9) 0.0772(5) Uani 1 1 d . .
Cl4 Cl 0.20284(11) -0.16178(8) 0.15408(8) 0.0521(3) Uani 1 1 d . .
O1 O -0.0119(2) 0.43826(18) 0.56495(16) 0.0315(6) Uani 1 1 d . .
O2 O 0.1195(3) 0.24561(19) 0.38364(16) 0.0377(7) Uani 1 1 d . .
O3 O 0.4541(2) 0.42876(18) 1.05609(16) 0.0323(6) Uani 1 1 d . .
O4 O 0.1208(3) 0.2351(2) 0.87694(17) 0.0413(7) Uani 1 1 d . .
O5 O 0.3259(5) 0.2371(3) 0.3317(3) 0.0795(15) Uani 1 1 d . .
O6 O 0.4578(5) 0.2075(5) 0.3964(4) 0.130(3) Uani 1 1 d . .
O7 O 0.4154(6) 0.1481(3) 0.2684(3) 0.0942(19) Uani 1 1 d . .
O8 O 0.2831(7) 0.1129(4) 0.3518(5) 0.143(3) Uani 1 1 d . .
O9 O 0.3941(4) 0.3179(3) 0.7120(3) 0.0810(15) Uani 1 1 d . .
O10 O 0.3143(3) 0.3786(3) 0.8129(2) 0.0605(10) Uani 1 1 d . .
O11 O 0.5082(3) 0.3949(3) 0.8230(2) 0.0605(10) Uani 1 1 d . .
O12 O 0.4404(4) 0.4598(3) 0.7463(2) 0.0686(12) Uani 1 1 d . .
O13 O -0.0145(8) 0.3416(7) 1.1866(4) 0.176(5) Uani 1 1 d . .
O14 O -0.0577(12) 0.2520(5) 1.2561(4) 0.214(6) Uani 1 1 d . .
O15 O -0.1061(7) 0.3686(6) 1.2928(4) 0.146(3) Uani 1 1 d . .
O16 O 0.0733(6) 0.3618(8) 1.3061(5) 0.175(4) Uani 1 1 d . .
O17 O 0.2906(6) -0.1110(5) 0.1244(5) 0.130(3) Uani 1 1 d . .
O18 O 0.1081(3) -0.1318(2) 0.1598(2) 0.0557(9) Uani 1 1 d . .
O19 O 0.1762(8) -0.2321(5) 0.1082(9) 0.291(10) Uani 1 1 d . .
O20 O 0.2486(7) -0.1615(8) 0.2226(5) 0.206(6) Uani 1 1 d . .
N1 N 0.0629(3) 0.34738(19) 0.63733(17) 0.0248(6) Uani 1 1 d . .
N2 N 0.2269(3) 0.4305(2) 0.54865(18) 0.0276(6) Uani 1 1 d . .
N3 N 0.0077(3) 0.18582(19) 0.54972(18) 0.0283(7) Uani 1 1 d . .
N4 N 0.2971(3) 0.3361(2) 1.12574(19) 0.0330(7) Uani 1 1 d . .
N5 N 0.2061(3) 0.4196(2) 1.03758(19) 0.0314(7) Uani 1 1 d . .
N6 N 0.1944(3) 0.1738(2) 1.0389(2) 0.0408(9) Uani 1 1 d . .
N7 N 0.2673(3) 0.2594(2) 0.5296(2) 0.0357(8) Uani 1 1 d . .
N8 N -0.0773(3) 0.2842(2) 0.4478(2) 0.0395(8) Uani 1 1 d . .
N9 N 0.3685(3) 0.2721(2) 0.9360(2) 0.0389(8) Uani 1 1 d . .
N10 N 0.0133(3) 0.2582(3) 1.0238(2) 0.0361(9) Uani 1 1 d . .
C1 C -0.0918(3) 0.3971(2) 0.6057(2) 0.0286(8) Uani 1 1 d . .
C2 C -0.0536(3) 0.3491(2) 0.6434(2) 0.0258(7) Uani 1 1 d . .
C3 C -0.1289(4) 0.3053(3) 0.6855(2) 0.0307(8) Uani 1 1 d . .
H3 H -0.104507 0.272803 0.711728 0.037 Uiso 1 1 calc R U
C4 C -0.2392(4) 0.3087(3) 0.6893(2) 0.0341(9) Uani 1 1 d . .
H4 H -0.290448 0.277779 0.717312 0.041 Uiso 1 1 calc R U
C5 C -0.2746(4) 0.3569(3) 0.6526(2) 0.0365(9) Uani 1 1 d . .
H5 H -0.349777 0.359862 0.656031 0.044 Uiso 1 1 calc R U
C6 C -0.2008(4) 0.4010(3) 0.6108(2) 0.0326(8) Uani 1 1 d . .
H6 H -0.225555 0.434039 0.585432 0.039 Uiso 1 1 calc R U
C7 C -0.0498(4) 0.4838(3) 0.5214(2) 0.0321(8) Uani 1 1 d . .
H7A H -0.069784 0.528818 0.554743 0.038 Uiso 1 1 calc R U
H7B H -0.117560 0.448631 0.486190 0.038 Uiso 1 1 calc R U
C8 C 0.1477(3) 0.4285(2) 0.6716(2) 0.0272(7) Uani 1 1 d . .
H8A H 0.193678 0.423783 0.713920 0.033 Uiso 1 1 calc R U
H8B H 0.105489 0.465986 0.693252 0.033 Uiso 1 1 calc R U
C9 C 0.2285(3) 0.4662(2) 0.6198(2) 0.0273(7) Uani 1 1 d . .
C10 C 0.3063(4) 0.5440(2) 0.6554(2) 0.0335(9) Uani 1 1 d . .
H10 H 0.305787 0.566933 0.707657 0.040 Uiso 1 1 calc R U
C11 C 0.3815(4) 0.5853(3) 0.6143(3) 0.0361(9) Uani 1 1 d . .
H11 H 0.433910 0.637454 0.637251 0.043 Uiso 1 1 calc R U
C12 C 0.4583(4) 0.5883(3) 0.4913(3) 0.0361(9) Uani 1 1 d . .
H12 H 0.511458 0.640598 0.512656 0.043 Uiso 1 1 calc R U
C13 C 0.4576(4) 0.5509(3) 0.4164(3) 0.0387(10) Uani 1 1 d . .
H13 H 0.510126 0.577393 0.386128 0.046 Uiso 1 1 calc R U
C14 C 0.3794(4) 0.4737(3) 0.3847(3) 0.0393(10) Uani 1 1 d . .
H14 H 0.378940 0.448106 0.332990 0.047 Uiso 1 1 calc R U
C15 C 0.3030(4) 0.4345(3) 0.4283(2) 0.0342(9) Uani 1 1 d . .
H15 H 0.250133 0.382279 0.406184 0.041 Uiso 1 1 calc R U
C16 C 0.3024(3) 0.4710(2) 0.5050(2) 0.0279(8) Uani 1 1 d . .
C17 C 0.3804(3) 0.5493(2) 0.5366(2) 0.0320(8) Uani 1 1 d . .
C18 C 0.0878(3) 0.2850(2) 0.6681(2) 0.0273(8) Uani 1 1 d . .
H18A H 0.070391 0.292771 0.721302 0.033 Uiso 1 1 calc R U
H18B H 0.170230 0.291740 0.667040 0.033 Uiso 1 1 calc R U
C19 C 0.0196(3) 0.2003(2) 0.6243(2) 0.0269(7) Uani 1 1 d . .
C20 C -0.0284(4) 0.1402(2) 0.6628(2) 0.0317(8) Uani 1 1 d . .
H20 H -0.017985 0.153134 0.716233 0.038 Uiso 1 1 calc R U
C21 C -0.0899(4) 0.0635(3) 0.6230(2) 0.0368(9) Uani 1 1 d . .
H21 H -0.122360 0.022694 0.648420 0.044 Uiso 1 1 calc R U
C22 C -0.1663(4) -0.0326(3) 0.4984(3) 0.0425(10) Uani 1 1 d . .
H22 H -0.199864 -0.075152 0.521594 0.051 Uiso 1 1 calc R U
C23 C -0.1778(5) -0.0474(3) 0.4215(3) 0.0477(12) Uani 1 1 d . .
H23 H -0.219311 -0.100106 0.391650 0.057 Uiso 1 1 calc R U
C24 C -0.1284(4) 0.0149(3) 0.3865(3) 0.0440(11) Uani 1 1 d . .
H24 H -0.137469 0.004138 0.333148 0.053 Uiso 1 1 calc R U
C25 C -0.0674(4) 0.0909(3) 0.4285(2) 0.0366(9) Uani 1 1 d . .
H25 H -0.033630 0.132357 0.404009 0.044 Uiso 1 1 calc R U
C26 C -0.0544(4) 0.1082(2) 0.5080(2) 0.0315(8) Uani 1 1 d . .
C27 C -0.1046(4) 0.0457(3) 0.5435(2) 0.0361(9) Uani 1 1 d . .
C28 C 0.4956(4) 0.3856(3) 1.0956(2) 0.0317(8) Uani 1 1 d . .
C29 C 0.4143(4) 0.3354(3) 1.1315(2) 0.0325(8) Uani 1 1 d . .
C30 C 0.4498(4) 0.2893(3) 1.1704(2) 0.0398(10) Uani 1 1 d . .
H30 H 0.395941 0.255095 1.194542 0.048 Uiso 1 1 calc R U
C31 C 0.5631(4) 0.2919(3) 1.1751(3) 0.0444(11) Uani 1 1 d . .
H31 H 0.586118 0.259177 1.201856 0.053 Uiso 1 1 calc R U
C32 C 0.6420(4) 0.3417(3) 1.1410(3) 0.0461(11) Uani 1 1 d . .
H32 H 0.719730 0.344028 1.144789 0.055 Uiso 1 1 calc R U
C33 C 0.6078(4) 0.3886(3) 1.1009(2) 0.0392(10) Uani 1 1 d . .
H33 H 0.662255 0.422872 1.077166 0.047 Uiso 1 1 calc R U
C34 C 0.5340(4) 0.4804(2) 1.0186(2) 0.0316(8) Uani 1 1 d . .
H34A H 0.569045 0.448198 0.980566 0.038 Uiso 1 1 calc R U
H34B H 0.595366 0.521763 1.055345 0.038 Uiso 1 1 calc R U
C35 C 0.2896(4) 0.4172(3) 1.1597(2) 0.0356(9) Uani 1 1 d . .
H35A H 0.367544 0.454022 1.179634 0.043 Uiso 1 1 calc R U
H35B H 0.243788 0.413679 1.203287 0.043 Uiso 1 1 calc R U
C36 C 0.2388(3) 0.4553(3) 1.1093(2) 0.0344(9) Uani 1 1 d . .
C37 C 0.2298(4) 0.5321(3) 1.1447(3) 0.0452(11) Uani 1 1 d . .
H37 H 0.250016 0.554336 1.197319 0.054 Uiso 1 1 calc R U
C38 C 0.1923(4) 0.5739(3) 1.1031(3) 0.0477(12) Uani 1 1 d . .
H38 H 0.188639 0.626244 1.126238 0.057 Uiso 1 1 calc R U
C39 C 0.1179(4) 0.5784(3) 0.9801(4) 0.0496(13) Uani 1 1 d . .
H39 H 0.113665 0.631087 1.001056 0.059 Uiso 1 1 calc R U
C40 C 0.0836(4) 0.5418(4) 0.9053(4) 0.0561(15) Uani 1 1 d . .
H40 H 0.057543 0.569588 0.874355 0.067 Uiso 1 1 calc R U
C41 C 0.0872(5) 0.4627(4) 0.8741(3) 0.0490(12) Uani 1 1 d . .
H41 H 0.060642 0.436698 0.822639 0.059 Uiso 1 1 calc R U
C42 C 0.1285(4) 0.4233(3) 0.9174(3) 0.0400(10) Uani 1 1 d . .
H42 H 0.132562 0.370742 0.895549 0.048 Uiso 1 1 calc R U
C43 C 0.1645(4) 0.4597(3) 0.9934(3) 0.0345(9) Uani 1 1 d . .
C44 C 0.1586(4) 0.5394(3) 1.0256(3) 0.0402(10) Uani 1 1 d . .
C45 C 0.2162(4) 0.2748(3) 1.1577(2) 0.0370(10) Uani 1 1 d . .
H45A H 0.142162 0.285245 1.159905 0.044 Uiso 1 1 calc R U
H45B H 0.246074 0.281207 1.209981 0.044 Uiso 1 1 calc R U
C46 C 0.1964(4) 0.1890(3) 1.1135(3) 0.0420(11) Uani 1 1 d . .
C47 C 0.1765(6) 0.1286(3) 1.1531(3) 0.0662(19) Uani 1 1 d . .
H47 H 0.179389 0.141971 1.206527 0.079 Uiso 1 1 calc R U
C48 C 0.1531(8) 0.0504(4) 1.1125(4) 0.096(3) Uani 1 1 d . .
H48 H 0.138627 0.008554 1.138010 0.115 Uiso 1 1 calc R U
C49 C 0.1233(10) -0.0484(4) 0.9895(5) 0.114(4) Uani 1 1 d . .
H49 H 0.103327 -0.092174 1.012672 0.137 Uiso 1 1 calc R U
C50 C 0.1253(10) -0.0639(4) 0.9131(5) 0.110(4) Uani 1 1 d . .
H50 H 0.110692 -0.118048 0.884057 0.132 Uiso 1 1 calc R U
C51 C 0.1490(7) -0.0003(4) 0.8767(4) 0.077(2) Uani 1 1 d . .
H51 H 0.149322 -0.011566 0.823437 0.092 Uiso 1 1 calc R U
C52 C 0.1716(6) 0.0779(3) 0.9191(3) 0.0578(15) Uani 1 1 d . .
H52 H 0.187315 0.120706 0.894771 0.069 Uiso 1 1 calc R U
C53 C 0.1720(5) 0.0956(3) 0.9980(3) 0.0526(13) Uani 1 1 d . .
C54 C 0.1500(8) 0.0306(4) 1.0339(4) 0.085(3) Uani 1 1 d . .
C55 C 0.3390(4) 0.2371(3) 0.5436(2) 0.0350(9) Uani 1 1 d . .
C56 C 0.4320(4) 0.2082(3) 0.5614(3) 0.0452(11) Uani 1 1 d . .
H56A H 0.504850 0.245435 0.553273 0.054 Uiso 1 1 calc R U
H56B H 0.420301 0.154051 0.528639 0.054 Uiso 1 1 calc R U
H56C H 0.433099 0.205904 0.614191 0.054 Uiso 1 1 calc R U
C57 C -0.1665(5) 0.2651(3) 0.4202(3) 0.0478(11) Uani 1 1 d . .
C58 C -0.2815(6) 0.2392(6) 0.3853(6) 0.111(3) Uani 1 1 d . .
H58A H -0.279931 0.246499 0.334041 0.133 Uiso 1 1 calc R U
H58B H -0.324158 0.271659 0.414841 0.133 Uiso 1 1 calc R U
H58C H -0.318656 0.181908 0.383296 0.133 Uiso 1 1 calc R U
C59 C 0.4495(4) 0.2625(3) 0.9153(3) 0.0423(10) Uani 1 1 d . .
C60 C 0.5556(5) 0.2500(4) 0.8891(4) 0.0684(18) Uani 1 1 d . .
H60A H 0.602554 0.247797 0.931506 0.082 Uiso 1 1 calc R U
H60B H 0.597717 0.294923 0.868320 0.082 Uiso 1 1 calc R U
H60C H 0.537287 0.198937 0.849932 0.082 Uiso 1 1 calc R U
C61 C -0.0661(12) 0.2450(6) 1.0374(5) 0.114(4) Uani 1 1 d . .
C62 C -0.2003(10) 0.2209(9) 1.0569(8) 0.149(5) Uani 1 1 d . .
H62A H -0.203270 0.239961 1.111249 0.179 Uiso 1 1 calc R U
H62B H -0.235974 0.161934 1.040987 0.179 Uiso 1 1 calc R U
H62C H -0.241500 0.246476 1.029911 0.179 Uiso 1 1 calc R U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cd Cd -0.8075 1.2024
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 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
O2 Cd1 N2 110.09(11) . .
O2 Cd1 N8 78.22(12) . .
N2 Cd1 N8 117.85(13) . .
O2 Cd1 N3 102.70(11) . .
N2 Cd1 N3 141.75(11) . .
N8 Cd1 N3 87.27(13) . .
O2 Cd1 N1 174.74(11) . .
N2 Cd1 N1 75.13(11) . .
N8 Cd1 N1 98.92(12) . .
N3 Cd1 N1 72.62(11) . .
O2 Cd1 N7 82.14(12) . .
N2 Cd1 N7 83.99(12) . .
N8 Cd1 N7 154.60(13) . .
N3 Cd1 N7 81.48(12) . .
N1 Cd1 N7 99.31(11) . .
O4 Cd2 N5 108.69(12) . .
O4 Cd2 N9 83.17(13) . .
N5 Cd2 N9 117.92(13) . .
O4 Cd2 N6 101.99(13) . .
N5 Cd2 N6 140.73(13) . .
N9 Cd2 N6 89.13(15) . .
O4 Cd2 N4 174.27(12) . .
N5 Cd2 N4 74.91(13) . .
N9 Cd2 N4 99.19(13) . .
N6 Cd2 N4 72.91(13) . .
O4 Cd2 N10 79.41(13) . .
N5 Cd2 N10 81.18(13) . .
N9 Cd2 N10 157.67(14) . .
N6 Cd2 N10 80.99(15) . .
N4 Cd2 N10 96.97(13) . .
O8 Cl1 O6 112.4(5) . .
O8 Cl1 O7 113.5(4) . .
O6 Cl1 O7 110.6(4) . .
O8 Cl1 O5 106.6(4) . .
O6 Cl1 O5 104.9(4) . .
O7 Cl1 O5 108.2(3) . .
O11 Cl2 O9 110.2(3) . .
O11 Cl2 O10 109.9(3) . .
O9 Cl2 O10 107.9(3) . .
O11 Cl2 O12 109.0(3) . .
O9 Cl2 O12 109.9(3) . .
O10 Cl2 O12 110.0(3) . .
O14 Cl3 O15 116.1(7) . .
O14 Cl3 O13 108.4(5) . .
O15 Cl3 O13 112.9(4) . .
O14 Cl3 O16 98.7(8) . .
O15 Cl3 O16 108.9(6) . .
O13 Cl3 O16 111.0(6) . .
O19 Cl4 O20 111.3(9) . .
O19 Cl4 O17 106.3(8) . .
O20 Cl4 O17 105.6(5) . .
O19 Cl4 O18 111.1(4) . .
O20 Cl4 O18 112.9(5) . .
O17 Cl4 O18 109.1(3) . .
C1 O1 C7 116.5(3) . .
C28 O3 C34 117.5(3) . .
C2 N1 C18 114.1(3) . .
C2 N1 C8 111.4(3) . .
C18 N1 C8 110.5(3) . .
C2 N1 Cd1 112.2(2) . .
C18 N1 Cd1 98.7(2) . .
C8 N1 Cd1 109.3(2) . .
C9 N2 C16 118.8(3) . .
C9 N2 Cd1 115.8(3) . .
C16 N2 Cd1 125.4(3) . .
C19 N3 C26 118.4(3) . .
C19 N3 Cd1 112.6(2) . .
C26 N3 Cd1 129.0(3) . .
C29 N4 C35 111.5(3) . .
C29 N4 C45 113.8(4) . .
C35 N4 C45 110.1(3) . .
C29 N4 Cd2 112.0(2) . .
C35 N4 Cd2 109.4(3) . .
C45 N4 Cd2 99.3(2) . .
C36 N5 C43 119.1(4) . .
C36 N5 Cd2 116.3(3) . .
C43 N5 Cd2 124.4(3) . .
C46 N6 C53 118.6(4) . .
C46 N6 Cd2 112.1(3) . .
C53 N6 Cd2 128.9(3) . .
C55 N7 Cd1 174.2(4) . .
C57 N8 Cd1 169.7(4) . .
C59 N9 Cd2 171.2(4) . .
C61 N10 Cd2 177.2(7) . .
C6 C1 O1 124.8(4) . .
C6 C1 C2 120.5(4) . .
O1 C1 C2 114.8(3) . .
C3 C2 C1 118.4(4) . .
C3 C2 N1 122.8(3) . .
C1 C2 N1 118.8(3) . .
C4 C3 C2 120.6(4) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C5 C4 C3 120.1(4) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C4 C5 C6 120.1(4) . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
C1 C6 C5 120.3(4) . .
C1 C6 H6 119.8 . .
C5 C6 H6 119.8 . .
O1 C7 C7 105.2(4) . 2_566
O1 C7 H7A 110.7 . .
C7 C7 H7A 110.7 2_566 .
O1 C7 H7B 110.7 . .
C7 C7 H7B 110.7 2_566 .
H7A C7 H7B 108.8 . .
N1 C8 C9 116.4(3) . .
N1 C8 H8A 108.2 . .
C9 C8 H8A 108.2 . .
N1 C8 H8B 108.2 . .
C9 C8 H8B 108.2 . .
H8A C8 H8B 107.3 . .
N2 C9 C10 123.1(4) . .
N2 C9 C8 123.0(3) . .
C10 C9 C8 113.9(3) . .
C11 C10 C9 119.6(4) . .
C11 C10 H10 120.2 . .
C9 C10 H10 120.2 . .
C10 C11 C17 118.8(4) . .
C10 C11 H11 120.6 . .
C17 C11 H11 120.6 . .
C13 C12 C17 120.3(4) . .
C13 C12 H12 119.8 . .
C17 C12 H12 119.8 . .
C12 C13 C14 120.0(4) . .
C12 C13 H13 120.0 . .
C14 C13 H13 120.0 . .
C15 C14 C13 120.4(4) . .
C15 C14 H14 119.8 . .
C13 C14 H14 119.8 . .
C14 C15 C16 120.8(4) . .
C14 C15 H15 119.6 . .
C16 C15 H15 119.6 . .
N2 C16 C15 120.4(4) . .
N2 C16 C17 121.0(4) . .
C15 C16 C17 118.7(4) . .
C12 C17 C16 119.8(4) . .
C12 C17 C11 121.5(4) . .
C16 C17 C11 118.7(4) . .
N1 C18 C19 112.3(3) . .
N1 C18 H18A 109.1 . .
C19 C18 H18A 109.1 . .
N1 C18 H18B 109.1 . .
C19 C18 H18B 109.1 . .
H18A C18 H18B 107.9 . .
N3 C19 C20 122.8(4) . .
N3 C19 C18 117.2(3) . .
C20 C19 C18 120.0(3) . .
C21 C20 C19 119.9(4) . .
C21 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
C20 C21 C27 119.1(4) . .
C20 C21 H21 120.5 . .
C27 C21 H21 120.5 . .
C23 C22 C27 120.5(4) . .
C23 C22 H22 119.8 . .
C27 C22 H22 119.8 . .
C22 C23 C24 120.3(4) . .
C22 C23 H23 119.9 . .
C24 C23 H23 119.9 . .
C25 C24 C23 120.7(4) . .
C25 C24 H24 119.6 . .
C23 C24 H24 119.6 . .
C24 C25 C26 120.4(4) . .
C24 C25 H25 119.8 . .
C26 C25 H25 119.8 . .
N3 C26 C27 121.3(4) . .
N3 C26 C25 119.6(4) . .
C27 C26 C25 119.1(4) . .
C21 C27 C26 118.5(4) . .
C21 C27 C22 122.4(4) . .
C26 C27 C22 119.1(4) . .
C33 C28 O3 124.0(4) . .
C33 C28 C29 120.3(4) . .
O3 C28 C29 115.8(4) . .
C30 C29 C28 118.6(4) . .
C30 C29 N4 123.3(4) . .
C28 C29 N4 118.0(4) . .
C29 C30 C31 121.0(4) . .
C29 C30 H30 119.5 . .
C31 C30 H30 119.5 . .
C32 C31 C30 120.0(5) . .
C32 C31 H31 120.0 . .
C30 C31 H31 120.0 . .
C31 C32 C33 119.9(5) . .
C31 C32 H32 120.1 . .
C33 C32 H32 120.1 . .
C28 C33 C32 120.2(4) . .
C28 C33 H33 119.9 . .
C32 C33 H33 119.9 . .
O3 C34 C34 105.7(4) . 2_667
O3 C34 H34A 110.6 . .
C34 C34 H34A 110.6 2_667 .
O3 C34 H34B 110.6 . .
C34 C34 H34B 110.6 2_667 .
H34A C34 H34B 108.7 . .
N4 C35 C36 116.9(3) . .
N4 C35 H35A 108.1 . .
C36 C35 H35A 108.1 . .
N4 C35 H35B 108.1 . .
C36 C35 H35B 108.1 . .
H35A C35 H35B 107.3 . .
N5 C36 C37 122.7(5) . .
N5 C36 C35 122.1(4) . .
C37 C36 C35 115.2(4) . .
C38 C37 C36 119.8(5) . .
C38 C37 H37 120.1 . .
C36 C37 H37 120.1 . .
C37 C38 C44 119.8(4) . .
C37 C38 H38 120.1 . .
C44 C38 H38 120.1 . .
C40 C39 C44 120.8(5) . .
C40 C39 H39 119.6 . .
C44 C39 H39 119.6 . .
C39 C40 C41 119.9(5) . .
C39 C40 H40 120.0 . .
C41 C40 H40 120.0 . .
C42 C41 C40 120.6(5) . .
C42 C41 H41 119.7 . .
C40 C41 H41 119.7 . .
C41 C42 C43 120.3(5) . .
C41 C42 H42 119.9 . .
C43 C42 H42 119.9 . .
C42 C43 N5 120.4(4) . .
C42 C43 C44 119.3(4) . .
N5 C43 C44 120.3(4) . .
C39 C44 C38 122.7(5) . .
C39 C44 C43 119.2(5) . .
C38 C44 C43 118.1(5) . .
N4 C45 C46 113.7(4) . .
N4 C45 H45A 108.8 . .
C46 C45 H45A 108.8 . .
N4 C45 H45B 108.8 . .
C46 C45 H45B 108.8 . .
H45A C45 H45B 107.7 . .
N6 C46 C47 123.6(5) . .
N6 C46 C45 118.2(4) . .
C47 C46 C45 118.2(4) . .
C48 C47 C46 118.0(5) . .
C48 C47 H47 121.0 . .
C46 C47 H47 121.0 . .
C47 C48 C54 121.1(5) . .
C47 C48 H48 119.5 . .
C54 C48 H48 119.5 . .
C50 C49 C54 121.0(7) . .
C50 C49 H49 119.5 . .
C54 C49 H49 119.5 . .
C49 C50 C51 120.7(7) . .
C49 C50 H50 119.6 . .
C51 C50 H50 119.6 . .
C52 C51 C50 119.3(6) . .
C52 C51 H51 120.3 . .
C50 C51 H51 120.3 . .
C51 C52 C53 121.0(5) . .
C51 C52 H52 119.5 . .
C53 C52 H52 119.5 . .
N6 C53 C52 119.9(4) . .
N6 C53 C54 121.3(5) . .
C52 C53 C54 118.8(5) . .
C49 C54 C48 123.5(6) . .
C49 C54 C53 119.0(6) . .
C48 C54 C53 117.4(6) . .
N7 C55 C56 179.8(5) . .
C55 C56 H56A 109.5 . .
C55 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C55 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
N8 C57 C58 179.0(7) . .
C57 C58 H58A 109.5 . .
C57 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C57 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
N9 C59 C60 179.4(6) . .
C59 C60 H60A 109.5 . .
C59 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C59 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
N10 C61 C62 177.8(11) . .
C61 C62 H62A 109.5 . .
C61 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C61 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O2 2.301(3) .
Cd1 N2 2.315(3) .
Cd1 N8 2.332(4) .
Cd1 N3 2.339(3) .
Cd1 N1 2.431(3) .
Cd1 N7 2.467(4) .
Cd2 O4 2.285(3) .
Cd2 N5 2.298(3) .
Cd2 N9 2.310(4) .
Cd2 N6 2.349(4) .
Cd2 N4 2.432(3) .
Cd2 N10 2.439(4) .
Cl1 O8 1.349(5) .
Cl1 O6 1.404(6) .
Cl1 O7 1.408(4) .
Cl1 O5 1.453(5) .
Cl2 O11 1.408(4) .
Cl2 O9 1.429(4) .
Cl2 O10 1.432(4) .
Cl2 O12 1.446(4) .
Cl3 O14 1.354(8) .
Cl3 O15 1.362(6) .
Cl3 O13 1.395(5) .
Cl3 O16 1.432(8) .
Cl4 O19 1.281(7) .
Cl4 O20 1.369(7) .
Cl4 O17 1.396(6) .
Cl4 O18 1.429(4) .
O1 C1 1.385(5) .
O1 C7 1.438(5) .
O3 C28 1.376(5) .
O3 C34 1.438(4) .
N1 C2 1.457(5) .
N1 C18 1.476(5) .
N1 C8 1.488(5) .
N2 C9 1.307(5) .
N2 C16 1.387(5) .
N3 C19 1.327(5) .
N3 C26 1.389(5) .
N4 C29 1.456(6) .
N4 C35 1.473(6) .
N4 C45 1.484(5) .
N5 C36 1.315(5) .
N5 C43 1.392(6) .
N6 C46 1.327(6) .
N6 C53 1.365(6) .
N7 C55 1.130(6) .
N8 C57 1.122(6) .
N9 C59 1.126(6) .
N10 C61 0.988(14) .
C1 C6 1.376(6) .
C1 C2 1.404(5) .
C2 C3 1.392(5) .
C3 C4 1.388(6) .
C3 H3 0.9500 .
C4 C5 1.377(6) .
C4 H4 0.9500 .
C5 C6 1.384(6) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C7 1.509(8) 2_566
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C9 1.511(5) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.420(5) .
C10 C11 1.360(6) .
C10 H10 0.9500 .
C11 C17 1.417(6) .
C11 H11 0.9500 .
C12 C13 1.378(7) .
C12 C17 1.412(6) .
C12 H12 0.9500 .
C13 C14 1.401(7) .
C13 H13 0.9500 .
C14 C15 1.382(6) .
C14 H14 0.9500 .
C15 C16 1.404(5) .
C15 H15 0.9500 .
C16 C17 1.414(6) .
C18 C19 1.508(5) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.413(5) .
C20 C21 1.365(6) .
C20 H20 0.9500 .
C21 C27 1.413(6) .
C21 H21 0.9500 .
C22 C23 1.369(7) .
C22 C27 1.417(6) .
C22 H22 0.9500 .
C23 C24 1.402(7) .
C23 H23 0.9500 .
C24 C25 1.367(6) .
C24 H24 0.9500 .
C25 C26 1.415(6) .
C25 H25 0.9500 .
C26 C27 1.414(6) .
C28 C33 1.374(6) .
C28 C29 1.413(5) .
C29 C30 1.374(6) .
C30 C31 1.390(7) .
C30 H30 0.9500 .
C31 C32 1.375(7) .
C31 H31 0.9500 .
C32 C33 1.392(7) .
C32 H32 0.9500 .
C33 H33 0.9500 .
C34 C34 1.500(9) 2_667
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.506(7) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 C37 1.417(6) .
C37 C38 1.354(8) .
C37 H37 0.9500 .
C38 C44 1.408(7) .
C38 H38 0.9500 .
C39 C40 1.370(9) .
C39 C44 1.389(7) .
C39 H39 0.9500 .
C40 C41 1.414(8) .
C40 H40 0.9500 .
C41 C42 1.370(6) .
C41 H41 0.9500 .
C42 C43 1.391(7) .
C42 H42 0.9500 .
C43 C44 1.436(6) .
C45 C46 1.502(7) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C46 C47 1.408(6) .
C47 C48 1.361(9) .
C47 H47 0.9500 .
C48 C54 1.397(9) .
C48 H48 0.9500 .
C49 C50 1.365(12) .
C49 C54 1.392(9) .
C49 H49 0.9500 .
C50 C51 1.414(9) .
C50 H50 0.9500 .
C51 C52 1.373(8) .
C51 H51 0.9500 .
C52 C53 1.407(8) .
C52 H52 0.9500 .
C53 C54 1.429(7) .
C55 C56 1.461(7) .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 C58 1.439(9) .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 C60 1.468(8) .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 C62 1.649(17) .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
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_4
C7 O1 C1 C6 -4.2(6) .
C7 O1 C1 C2 176.0(3) .
C6 C1 C2 C3 0.4(6) .
O1 C1 C2 C3 -179.7(3) .
C6 C1 C2 N1 -179.3(4) .
O1 C1 C2 N1 0.6(5) .
C18 N1 C2 C3 10.1(5) .
C8 N1 C2 C3 -115.8(4) .
Cd1 N1 C2 C3 121.3(3) .
C18 N1 C2 C1 -170.2(3) .
C8 N1 C2 C1 63.9(4) .
Cd1 N1 C2 C1 -59.0(4) .
C1 C2 C3 C4 0.5(6) .
N1 C2 C3 C4 -179.8(4) .
C2 C3 C4 C5 -1.3(6) .
C3 C4 C5 C6 1.1(7) .
O1 C1 C6 C5 179.5(4) .
C2 C1 C6 C5 -0.6(6) .
C4 C5 C6 C1 -0.1(7) .
C1 O1 C7 C7 -175.5(4) 2_566
C2 N1 C8 C9 -119.8(3) .
C18 N1 C8 C9 112.2(4) .
Cd1 N1 C8 C9 4.7(4) .
C16 N2 C9 C10 -1.8(6) .
Cd1 N2 C9 C10 176.0(3) .
C16 N2 C9 C8 178.2(3) .
Cd1 N2 C9 C8 -4.0(5) .
N1 C8 C9 N2 -0.8(6) .
N1 C8 C9 C10 179.2(3) .
N2 C9 C10 C11 1.8(7) .
C8 C9 C10 C11 -178.2(4) .
C9 C10 C11 C17 -0.2(7) .
C17 C12 C13 C14 -0.1(7) .
C12 C13 C14 C15 -0.2(7) .
C13 C14 C15 C16 -0.3(7) .
C9 N2 C16 C15 -179.9(4) .
Cd1 N2 C16 C15 2.5(5) .
C9 N2 C16 C17 0.3(6) .
Cd1 N2 C16 C17 -177.3(3) .
C14 C15 C16 N2 -178.7(4) .
C14 C15 C16 C17 1.1(6) .
C13 C12 C17 C16 0.9(6) .
C13 C12 C17 C11 178.1(4) .
N2 C16 C17 C12 178.4(4) .
C15 C16 C17 C12 -1.3(6) .
N2 C16 C17 C11 1.1(6) .
C15 C16 C17 C11 -178.7(4) .
C10 C11 C17 C12 -178.4(4) .
C10 C11 C17 C16 -1.1(6) .
C2 N1 C18 C19 65.1(4) .
C8 N1 C18 C19 -168.5(3) .
Cd1 N1 C18 C19 -54.1(3) .
C26 N3 C19 C20 -0.3(6) .
Cd1 N3 C19 C20 180.0(3) .
C26 N3 C19 C18 179.7(4) .
Cd1 N3 C19 C18 0.0(4) .
N1 C18 C19 N3 41.0(5) .
N1 C18 C19 C20 -139.0(4) .
N3 C19 C20 C21 0.2(7) .
C18 C19 C20 C21 -179.8(4) .
C19 C20 C21 C27 -0.2(7) .
C27 C22 C23 C24 0.1(8) .
C22 C23 C24 C25 0.6(8) .
C23 C24 C25 C26 -0.8(8) .
C19 N3 C26 C27 0.4(6) .
Cd1 N3 C26 C27 -179.9(3) .
C19 N3 C26 C25 -179.3(4) .
Cd1 N3 C26 C25 0.4(6) .
C24 C25 C26 N3 -179.9(4) .
C24 C25 C26 C27 0.4(7) .
C20 C21 C27 C26 0.3(7) .
C20 C21 C27 C22 179.3(5) .
N3 C26 C27 C21 -0.4(7) .
C25 C26 C27 C21 179.3(4) .
N3 C26 C27 C22 -179.5(4) .
C25 C26 C27 C22 0.3(7) .
C23 C22 C27 C21 -179.5(5) .
C23 C22 C27 C26 -0.5(8) .
C34 O3 C28 C33 -0.4(6) .
C34 O3 C28 C29 -179.8(3) .
C33 C28 C29 C30 -0.9(6) .
O3 C28 C29 C30 178.5(4) .
C33 C28 C29 N4 178.4(4) .
O3 C28 C29 N4 -2.1(5) .
C35 N4 C29 C30 118.1(4) .
C45 N4 C29 C30 -7.2(6) .
Cd2 N4 C29 C30 -118.8(4) .
C35 N4 C29 C28 -61.2(5) .
C45 N4 C29 C28 173.5(4) .
Cd2 N4 C29 C28 61.9(4) .
C28 C29 C30 C31 0.3(7) .
N4 C29 C30 C31 -179.0(4) .
C29 C30 C31 C32 0.6(7) .
C30 C31 C32 C33 -0.9(8) .
O3 C28 C33 C32 -178.8(4) .
C29 C28 C33 C32 0.6(7) .
C31 C32 C33 C28 0.3(7) .
C28 O3 C34 C34 -179.5(4) 2_667
C29 N4 C35 C36 121.8(4) .
C45 N4 C35 C36 -110.9(4) .
Cd2 N4 C35 C36 -2.7(4) .
C43 N5 C36 C37 2.4(6) .
Cd2 N5 C36 C37 -174.0(3) .
C43 N5 C36 C35 -177.2(4) .
Cd2 N5 C36 C35 6.5(5) .
N4 C35 C36 N5 -2.3(6) .
N4 C35 C36 C37 178.1(4) .
N5 C36 C37 C38 -3.9(7) .
C35 C36 C37 C38 175.7(4) .
C36 C37 C38 C44 2.2(7) .
C44 C39 C40 C41 1.5(7) .
C39 C40 C41 C42 -2.4(7) .
C40 C41 C42 C43 1.9(7) .
C41 C42 C43 N5 179.7(4) .
C41 C42 C43 C44 -0.5(7) .
C36 N5 C43 C42 -179.6(4) .
Cd2 N5 C43 C42 -3.5(5) .
C36 N5 C43 C44 0.6(6) .
Cd2 N5 C43 C44 176.7(3) .
C40 C39 C44 C38 -178.5(5) .
C40 C39 C44 C43 -0.1(7) .
C37 C38 C44 C39 179.1(5) .
C37 C38 C44 C43 0.6(7) .
C42 C43 C44 C39 -0.4(6) .
N5 C43 C44 C39 179.4(4) .
C42 C43 C44 C38 178.0(4) .
N5 C43 C44 C38 -2.2(6) .
C29 N4 C45 C46 -68.4(5) .
C35 N4 C45 C46 165.5(4) .
Cd2 N4 C45 C46 50.8(4) .
C53 N6 C46 C47 0.0(8) .
Cd2 N6 C46 C47 173.8(5) .
C53 N6 C46 C45 -177.5(5) .
Cd2 N6 C46 C45 -3.7(6) .
N4 C45 C46 N6 -35.9(6) .
N4 C45 C46 C47 146.5(5) .
N6 C46 C47 C48 -0.6(10) .
C45 C46 C47 C48 176.9(7) .
C46 C47 C48 C54 0.7(13) .
C54 C49 C50 C51 -3.2(18) .
C49 C50 C51 C52 0.9(16) .
C50 C51 C52 C53 0.2(12) .
C46 N6 C53 C52 -178.7(5) .
Cd2 N6 C53 C52 8.7(8) .
C46 N6 C53 C54 0.5(9) .
Cd2 N6 C53 C54 -172.1(5) .
C51 C52 C53 N6 -179.8(6) .
C51 C52 C53 C54 1.0(11) .
C50 C49 C54 C48 -177.7(11) .
C50 C49 C54 C53 4.4(16) .
C47 C48 C54 C49 -178.1(10) .
C47 C48 C54 C53 -0.2(14) .
N6 C53 C54 C49 177.6(8) .
C52 C53 C54 C49 -3.2(13) .
N6 C53 C54 C48 -0.4(12) .
C52 C53 C54 C48 178.8(8) .
