#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:53:06 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/22/7212251.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_7212251
loop_
_publ_author_name
'Liu, Chun-Sen'
'Wang, Jun-Jie'
'Chang, Ze'
'Yan, Li-Fen'
'Bu, Xian-He'
_publ_section_title
;
 Cadmium(ii) coordination polymers based on a bulky anthracene-based
 dicarboxylate ligand: crystal structures and luminescent properties
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1833
_journal_paper_doi               10.1039/b923516g
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C64 H44 Cd2 N12 O8'
_chemical_formula_weight         1333.91
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.776(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.542(5)
_cell_length_b                   28.488(7)
_cell_length_c                   20.519(5)
_cell_measurement_reflns_used    9715
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      27.8565
_cell_measurement_theta_min      1.4295
_cell_volume                     11833(5)
_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      294(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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     0.71070
_diffrn_reflns_av_R_equivalents  0.0527
_diffrn_reflns_av_sigmaI/netI    0.0465
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            47578
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.43
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.786
_exptl_absorpt_correction_T_max  0.8587
_exptl_absorpt_correction_T_min  0.7338
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5376
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.279
_refine_diff_density_min         -1.525
_refine_diff_density_rms         0.116
_refine_ls_extinction_coef       0.00032(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         10422
_refine_ls_number_restraints     299
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.1116
_refine_ls_R_factor_gt           0.0857
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1398P)²+39.2002P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2326
_refine_ls_wR_factor_ref         0.2555
_reflns_number_gt                7735
_reflns_number_total             10422
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b923516g.txt
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

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

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed
to 'constr' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7212251
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cd1 Cd 0.69783(3) 0.881904(18) 0.41284(3) 0.0546(2) Uani 1 1 d .
Cd2 Cd 0.81652(4) 0.91770(2) 0.65610(3) 0.0798(3) Uani 1 1 d .
N1 N 0.7655(4) 0.8283(2) 0.3703(3) 0.0660(17) Uani 1 1 d .
N2 N 0.6337(3) 0.8209(2) 0.3643(3) 0.0604(16) Uani 1 1 d .
N4 N 0.6621(3) 0.9272(2) 0.3144(3) 0.0574(15) Uani 1 1 d .
N5 N 0.7624(3) 0.9491(2) 0.4135(3) 0.0509(14) Uani 1 1 d .
N8 N 0.7410(4) 0.9746(2) 0.6099(3) 0.0663(18) Uani 1 1 d .
N7 N 0.8415(5) 0.9906(3) 0.7117(4) 0.083(2) Uani 1 1 d .
C1 C 0.8303(5) 0.8327(4) 0.3746(5) 0.079(3) Uani 1 1 d .
H1 H 0.8506 0.8596 0.3942 0.095 Uiso 1 1 calc R
C2 C 0.8688(6) 0.7993(4) 0.3511(6) 0.098(3) Uani 1 1 d .
H2 H 0.9142 0.8034 0.3544 0.118 Uiso 1 1 calc R
C3 C 0.8373(8) 0.7586(5) 0.3219(6) 0.116(4) Uani 1 1 d .
H3 H 0.8621 0.7349 0.3070 0.139 Uiso 1 1 calc R
C4 C 0.7716(6) 0.7542(3) 0.3156(5) 0.090(3) Uani 1 1 d .
H4 H 0.7503 0.7282 0.2946 0.108 Uiso 1 1 calc R
C5 C 0.7354(5) 0.7891(3) 0.3410(4) 0.074(2) Uani 1 1 d .
C6 C 0.6640(5) 0.7863(3) 0.3381(4) 0.071(2) Uani 1 1 d .
C7 C 0.6172(6) 0.7522(3) 0.3125(4) 0.088(3) Uani 1 1 d .
H7 H 0.6251 0.7245 0.2912 0.105 Uiso 1 1 calc R
C8 C 0.5573(6) 0.7679(3) 0.3251(4) 0.084(3) Uani 1 1 d .
H8 H 0.5166 0.7530 0.3147 0.101 Uiso 1 1 calc R
N3 N 0.5705(4) 0.8098(2) 0.3559(3) 0.0707(18) Uani 1 1 d .
H3A H 0.5408 0.8273 0.3685 0.085 Uiso 1 1 calc R
C10 C 0.6129(4) 0.9166(3) 0.2662(4) 0.067(2) Uani 1 1 d .
H10 H 0.5930 0.8874 0.2676 0.080 Uiso 1 1 calc R
C11 C 0.5891(5) 0.9455(3) 0.2143(4) 0.074(2) Uani 1 1 d .
H11 H 0.5531 0.9368 0.1827 0.089 Uiso 1 1 calc R
C12 C 0.6197(4) 0.9873(3) 0.2104(4) 0.073(2) Uani 1 1 d .
H12 H 0.6062 1.0072 0.1748 0.087 Uiso 1 1 calc R
C13 C 0.6707(4) 1.0001(3) 0.2591(3) 0.0584(18) Uani 1 1 d .
H13 H 0.6911 1.0292 0.2578 0.070 Uiso 1 1 calc R
C14 C 0.6911(4) 0.9694(3) 0.3098(3) 0.0520(17) Uani 1 1 d .
C15 C 0.7458(4) 0.9808(3) 0.3647(3) 0.0543(17) Uani 1 1 d .
C16 C 0.7848(5) 1.0201(3) 0.3758(4) 0.076(2) Uani 1 1 d .
H16 H 0.7832 1.0470 0.3499 0.091 Uiso 1 1 calc R
C17 C 0.8258(5) 1.0110(3) 0.4327(4) 0.082(3) Uani 1 1 d .
H17 H 0.8588 1.0310 0.4531 0.099 Uiso 1 1 calc R
N6 N 0.8123(3) 0.9694(2) 0.4553(3) 0.0571(15) Uani 1 1 d .
H6A H 0.8323 0.9571 0.4915 0.069 Uiso 1 1 calc R
C19 C 0.7686(4) 0.8441(3) 0.5565(4) 0.0566(18) Uani 1 1 d .
C20 C 0.7590(4) 0.7953(2) 0.5272(4) 0.0588(19) Uani 1 1 d .
C21 C 0.6949(4) 0.7759(2) 0.5153(4) 0.0553(18) Uani 1 1 d .
C22 C 0.6383(4) 0.7998(3) 0.5304(4) 0.064(2) Uani 1 1 d .
H22 H 0.6432 0.8296 0.5493 0.077 Uiso 1 1 calc R
C23 C 0.5766(4) 0.7795(3) 0.5174(4) 0.071(2) Uani 1 1 d .
H23 H 0.5403 0.7957 0.5275 0.085 Uiso 1 1 calc R
C24 C 0.9319(4) 0.7642(3) 0.5103(5) 0.077(2) Uani 1 1 d .
H24 H 0.9740 0.7773 0.5188 0.093 Uiso 1 1 calc R
C25 C 0.8794(4) 0.7889(3) 0.5256(4) 0.064(2) Uani 1 1 d .
H25 H 0.8866 0.8186 0.5445 0.077 Uiso 1 1 calc R
C26 C 0.8142(4) 0.7705(2) 0.5135(4) 0.0571(18) Uani 1 1 d .
C27 C 0.5594(4) 0.9205(3) 0.4424(4) 0.0560(18) Uani 1 1 d .
C28 C 0.5275(3) 0.9618(2) 0.4722(4) 0.0508(16) Uani 1 1 d .
C29 C 0.5221(3) 1.0046(3) 0.4391(4) 0.0535(17) Uani 1 1 d .
C30 C 0.5461(4) 1.0119(3) 0.3773(4) 0.071(2) Uani 1 1 d .
H30 H 0.5643 0.9868 0.3577 0.085 Uiso 1 1 calc R
C31 C 0.5424(5) 1.0547(4) 0.3475(5) 0.086(3) Uani 1 1 d .
H31 H 0.5583 1.0589 0.3081 0.103 Uiso 1 1 calc R
C32 C 0.4857(5) 0.9076(3) 0.6229(5) 0.085(3) Uani 1 1 d .
H32 H 0.4886 0.8784 0.6435 0.102 Uiso 1 1 calc R
C33 C 0.5086(4) 0.9125(3) 0.5655(5) 0.070(2) Uani 1 1 d .
H33 H 0.5268 0.8866 0.5474 0.084 Uiso 1 1 calc R
C34 C 0.5056(4) 0.9556(2) 0.5325(4) 0.0535(17) Uani 1 1 d .
C35 C 0.9374(4) 0.9493(3) 0.5966(5) 0.070(2) Uani 1 1 d .
C36 C 0.9702(4) 0.9747(3) 0.5464(4) 0.068(2) Uani 1 1 d .
C37 C 0.9734(4) 1.0248(3) 0.5493(4) 0.070(2) Uani 1 1 d .
C38 C 0.9457(5) 1.0517(4) 0.5966(5) 0.083(3) Uani 1 1 d .
H38 H 0.9248 1.0361 0.6271 0.100 Uiso 1 1 calc R
C39 C 0.9489(5) 1.0992(4) 0.5983(6) 0.091(3) Uani 1 1 d .
H39 H 0.9303 1.1159 0.6295 0.109 Uiso 1 1 calc R
C40 C 1.0195(6) 0.8772(4) 0.4472(6) 0.105(4) Uani 1 1 d .
H40 H 1.0155 0.8447 0.4445 0.126 Uiso 1 1 calc R
C41 C 0.9946(5) 0.9001(4) 0.4949(6) 0.093(3) Uani 1 1 d .
H41 H 0.9762 0.8829 0.5258 0.112 Uiso 1 1 calc R
C42 C 0.9958(4) 0.9505(3) 0.4991(5) 0.073(2) Uani 1 1 d .
N9 N 0.6914(4) 0.9779(3) 0.5575(4) 0.076(2) Uani 1 1 d .
H9A H 0.6738 0.9543 0.5348 0.091 Uiso 1 1 calc R
C44 C 0.6738(5) 1.0213(4) 0.5458(6) 0.101(4) Uani 1 1 d .
H44 H 0.6404 1.0315 0.5124 0.121 Uiso 1 1 calc R
C45 C 0.7115(6) 1.0493(4) 0.5898(6) 0.099(3) Uani 1 1 d .
H45 H 0.7099 1.0818 0.5929 0.119 Uiso 1 1 calc R
C46 C 0.7531(4) 1.0188(3) 0.6293(5) 0.074(2) Uani 1 1 d .
C47 C 0.8069(5) 1.0275(3) 0.6868(5) 0.074(2) Uani 1 1 d .
C48 C 0.8197(6) 1.0726(4) 0.7091(6) 0.103(4) Uani 1 1 d .
H48 H 0.7948 1.0978 0.6898 0.124 Uiso 1 1 calc R
C49 C 0.8700(8) 1.0790(6) 0.7605(6) 0.125(5) Uani 1 1 d .
H49 H 0.8809 1.1091 0.7763 0.151 Uiso 1 1 calc R
C50 C 0.9059(8) 1.0402(6) 0.7899(6) 0.127(5) Uani 1 1 d .
H50 H 0.9390 1.0436 0.8266 0.153 Uiso 1 1 calc R
C51 C 0.8898(6) 0.9970(4) 0.7620(5) 0.099(3) Uani 1 1 d .
H51 H 0.9141 0.9711 0.7795 0.118 Uiso 1 1 calc R
O1 O 0.7510(2) 0.87884(14) 0.5204(2) 0.0506(11) Uani 1 1 d .
O2 O 0.7962(3) 0.84620(19) 0.6153(3) 0.0778(17) Uani 1 1 d .
O3 O 0.6213(2) 0.91632(17) 0.4633(2) 0.0565(12) Uani 1 1 d .
O4 O 0.5268(3) 0.8948(2) 0.4019(3) 0.0835(19) Uani 1 1 d .
O5 O 0.8770(2) 0.93859(19) 0.5779(3) 0.0609(13) Uani 1 1 d .
O6 O 0.9697(3) 0.9420(3) 0.6536(3) 0.109(3) Uani 1 1 d .
N11 N 0.8836(5) 0.8796(3) 0.7461(4) 0.141(3) Uani 1 1 d GDU
N12 N 0.9504(5) 0.8710(3) 0.7666(5) 0.167(4) Uani 1 1 d GDU
H12A H 0.9819 0.8809 0.7475 0.200 Uiso 1 1 calc R
C53 C 0.9573(5) 0.8436(4) 0.8232(6) 0.161(4) Uani 1 1 d GDU
H53A H 0.9969 0.8328 0.8472 0.193 Uiso 1 1 calc R
C54 C 0.8948(6) 0.8353(4) 0.8377(5) 0.154(4) Uani 1 1 d GDU
H54A H 0.8852 0.8179 0.8732 0.185 Uiso 1 1 calc R
C55 C 0.8493(4) 0.8575(3) 0.7901(5) 0.147(3) Uani 1 1 d GDU
N10 N 0.7452(4) 0.8865(3) 0.7285(4) 0.113(3) Uani 1 1 d GDU
C56 C 0.7773(3) 0.8603(3) 0.7816(5) 0.140(3) Uani 1 1 d GDU
C57 C 0.7410(5) 0.8322(3) 0.8176(4) 0.157(4) Uani 1 1 d GDU
H57A H 0.7625 0.8147 0.8531 0.188 Uiso 1 1 calc R
C58 C 0.6726(5) 0.8303(3) 0.8006(5) 0.163(4) Uani 1 1 d GDU
H58A H 0.6483 0.8115 0.8248 0.196 Uiso 1 1 calc R
C59 C 0.6405(3) 0.8565(4) 0.7476(5) 0.139(4) Uani 1 1 d GDU
H59A H 0.5947 0.8552 0.7362 0.166 Uiso 1 1 calc R
C60 C 0.6768(4) 0.8846(3) 0.7115(4) 0.121(3) Uani 1 1 d GDU
H60A H 0.6553 0.9021 0.6760 0.146 Uiso 1 1 calc R
O7 O 0.5785(7) 0.7440(8) 0.9104(9) 0.350(9) Uani 1 1 d DU
O8 O 0.5773(7) 0.7431(9) 1.0157(11) 0.385(10) Uani 1 1 d DU
C61 C 0.6079(4) 0.7443(4) 0.9686(9) 0.321(7) Uani 1 1 d DU
C62 C 0.6820(3) 0.7462(3) 0.9828(5) 0.291(6) Uani 1 1 d DU
C63 C 0.7195(4) 0.7061(2) 0.9976(6) 0.271(6) Uani 1 1 d DU
C64 C 0.6892(7) 0.6626(3) 0.9996(7) 0.264(7) Uani 1 1 d DU
H64A H 0.6434 0.6602 0.9910 0.316 Uiso 1 1 calc R
C65 C 0.7275(9) 0.6230(5) 1.0144(9) 0.258(8) Uani 1 1 d DU
H65A H 0.7077 0.5935 1.0098 0.309 Uiso 1 1 calc R
C66 C 0.7047(9) 0.8735(4) 0.9637(9) 0.294(9) Uani 1 1 d DU
H66A H 0.6801 0.8998 0.9479 0.353 Uiso 1 1 calc R
C67 C 0.6739(6) 0.8298(4) 0.9659(7) 0.296(7) Uani 1 1 d DU
H67A H 0.6281 0.8275 0.9575 0.355 Uiso 1 1 calc R
C68 C 0.7125(4) 0.7899(2) 0.9808(7) 0.292(7) Uani 1 1 d DU
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
O3 Cd1 O1 80.16(17) . .
O3 Cd1 N2 97.7(2) . .
O1 Cd1 N2 122.10(19) . .
O3 Cd1 N5 94.66(19) . .
O1 Cd1 N5 81.27(18) . .
N2 Cd1 N5 155.1(2) . .
O3 Cd1 N1 164.9(2) . .
O1 Cd1 N1 96.8(2) . .
N2 Cd1 N1 71.2(3) . .
N5 Cd1 N1 99.5(2) . .
O3 Cd1 N4 90.88(19) . .
O1 Cd1 N4 148.97(19) . .
N2 Cd1 N4 88.4(2) . .
N5 Cd1 N4 69.8(2) . .
N1 Cd1 N4 98.8(2) . .
O2 Cd2 O5 93.7(2) . .
O2 Cd2 N8 114.6(2) . .
O5 Cd2 N8 86.4(2) . .
O2 Cd2 N11 85.4(3) . .
O5 Cd2 N11 110.8(3) . .
N8 Cd2 N11 153.3(3) . .
O2 Cd2 N7 173.6(2) . .
O5 Cd2 N7 90.6(2) . .
N8 Cd2 N7 70.3(3) . .
N11 Cd2 N7 88.7(3) . .
O2 Cd2 N10 78.4(2) . .
O5 Cd2 N10 171.6(2) . .
N8 Cd2 N10 94.3(3) . .
N11 Cd2 N10 71.7(4) . .
N7 Cd2 N10 97.4(3) . .
C1 N1 C5 118.8(8) . .
C1 N1 Cd1 124.6(6) . .
C5 N1 Cd1 116.5(6) . .
N3 N2 C6 106.8(7) . .
N3 N2 Cd1 135.7(5) . .
C6 N2 Cd1 117.5(6) . .
C10 N4 C14 116.1(7) . .
C10 N4 Cd1 126.2(5) . .
C14 N4 Cd1 117.4(5) . .
C15 N5 N6 104.6(6) . .
C15 N5 Cd1 118.4(5) . .
N6 N5 Cd1 136.6(4) . .
C46 N8 N9 104.4(7) . .
C46 N8 Cd2 117.3(6) . .
N9 N8 Cd2 137.0(5) . .
C51 N7 C47 118.4(9) . .
C51 N7 Cd2 124.7(8) . .
C47 N7 Cd2 116.8(6) . .
N1 C1 C2 122.8(11) . .
N1 C1 H1 118.6 . .
C2 C1 H1 118.6 . .
C1 C2 C3 117.9(11) . .
C1 C2 H2 121.1 . .
C3 C2 H2 121.1 . .
C4 C3 C2 120.0(10) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C3 C4 C5 119.3(11) . .
C3 C4 H4 120.3 . .
C5 C4 H4 120.3 . .
N1 C5 C4 121.1(10) . .
N1 C5 C6 116.1(7) . .
C4 C5 C6 122.8(10) . .
N2 C6 C7 109.0(9) . .
N2 C6 C5 118.7(8) . .
C7 C6 C5 132.3(8) . .
C8 C7 C6 106.5(8) . .
C8 C7 H7 126.7 . .
C6 C7 H7 126.7 . .
N3 C8 C7 105.1(9) . .
N3 C8 H8 127.5 . .
C7 C8 H8 127.5 . .
N2 N3 C8 112.6(8) . .
N2 N3 H3A 123.7 . .
C8 N3 H3A 123.7 . .
N4 C10 C11 124.8(8) . .
N4 C10 H10 117.6 . .
C11 C10 H10 117.6 . .
C12 C11 C10 117.8(8) . .
C12 C11 H11 121.1 . .
C10 C11 H11 121.1 . .
C11 C12 C13 119.8(8) . .
C11 C12 H12 120.1 . .
C13 C12 H12 120.1 . .
C12 C13 C14 118.8(8) . .
C12 C13 H13 120.6 . .
C14 C13 H13 120.6 . .
N4 C14 C13 122.6(7) . .
N4 C14 C15 115.3(6) . .
C13 C14 C15 122.1(7) . .
N5 C15 C16 110.9(7) . .
N5 C15 C14 118.6(7) . .
C16 C15 C14 130.4(7) . .
C17 C16 C15 104.3(7) . .
C17 C16 H16 127.9 . .
C15 C16 H16 127.9 . .
N6 C17 C16 110.1(8) . .
N6 C17 H17 125.0 . .
C16 C17 H17 125.0 . .
C17 N6 N5 110.1(6) . .
C17 N6 H6A 125.0 . .
N5 N6 H6A 125.0 . .
O2 C19 O1 125.0(7) . .
O2 C19 C20 115.9(7) . .
O1 C19 C20 119.1(7) . .
C26 C20 C21 122.0(7) . .
C26 C20 C19 119.2(7) . .
C21 C20 C19 118.9(7) . .
C20 C21 C22 123.1(7) . .
C20 C21 C26 118.7(7) . 7_666
C22 C21 C26 118.2(7) . 7_666
C23 C22 C21 120.9(8) . .
C23 C22 H22 119.5 . .
C21 C22 H22 119.5 . .
C24 C23 C22 120.8(8) 7_666 .
C24 C23 H23 119.6 7_666 .
C22 C23 H23 119.6 . .
C23 C24 C25 120.9(8) 7_666 .
C23 C24 H24 119.5 7_666 .
C25 C24 H24 119.5 . .
C24 C25 C26 121.7(8) . .
C24 C25 H25 119.1 . .
C26 C25 H25 119.1 . .
C20 C26 C25 123.2(7) . .
C20 C26 C21 119.3(7) . 7_666
C25 C26 C21 117.5(7) . 7_666
O4 C27 O3 125.1(7) . .
O4 C27 C28 120.9(7) . .
O3 C27 C28 114.0(6) . .
C29 C28 C34 122.2(6) . .
C29 C28 C27 119.0(6) . .
C34 C28 C27 118.8(6) . .
C28 C29 C34 119.9(6) . 5_676
C28 C29 C30 122.8(7) . .
C34 C29 C30 117.3(7) 5_676 .
C31 C30 C29 121.3(8) . .
C31 C30 H30 119.4 . .
C29 C30 H30 119.4 . .
C30 C31 C32 119.1(8) . 5_676
C30 C31 H31 120.4 . .
C32 C31 H31 120.4 5_676 .
C33 C32 C31 121.9(8) . 5_676
C33 C32 H32 119.0 . .
C31 C32 H32 119.0 5_676 .
C32 C33 C34 121.3(8) . .
C32 C33 H33 119.3 . .
C34 C33 H33 119.3 . .
C33 C34 C28 123.0(7) . .
C33 C34 C29 119.0(7) . 5_676
C28 C34 C29 117.9(6) . 5_676
O6 C35 O5 125.1(8) . .
O6 C35 C36 119.1(8) . .
O5 C35 C36 115.7(8) . .
C42 C36 C37 120.8(8) . .
C42 C36 C35 121.0(8) . .
C37 C36 C35 118.1(8) . .
C38 C37 C36 122.9(8) . .
C38 C37 C42 118.6(9) . 5_776
C36 C37 C42 118.5(8) . 5_776
C39 C38 C37 122.0(9) . .
C39 C38 H38 119.0 . .
C37 C38 H38 119.0 . .
C38 C39 C40 119.3(10) . 5_776
C38 C39 H39 120.4 . .
C40 C39 H39 120.4 5_776 .
C41 C40 C39 122.0(11) . 5_776
C41 C40 H40 119.0 . .
C39 C40 H40 119.0 5_776 .
C40 C41 C42 121.5(10) . .
C40 C41 H41 119.3 . .
C42 C41 H41 119.3 . .
C36 C42 C41 122.7(9) . .
C36 C42 C37 120.6(9) . 5_776
C41 C42 C37 116.6(9) . 5_776
C44 N9 N8 111.2(8) . .
C44 N9 H9A 124.4 . .
N8 N9 H9A 124.4 . .
N9 C44 C45 109.2(10) . .
N9 C44 H44 125.4 . .
C45 C44 H44 125.4 . .
C44 C45 C46 104.4(9) . .
C44 C45 H45 127.8 . .
C46 C45 H45 127.8 . .
N8 C46 C45 110.8(9) . .
N8 C46 C47 118.0(9) . .
C45 C46 C47 131.3(9) . .
N7 C47 C48 123.8(10) . .
N7 C47 C46 116.7(8) . .
C48 C47 C46 119.5(10) . .
C49 C48 C47 117.4(13) . .
C49 C48 H48 121.3 . .
C47 C48 H48 121.3 . .
C48 C49 C50 120.3(12) . .
C48 C49 H49 119.9 . .
C50 C49 H49 119.9 . .
C51 C50 C49 116.9(11) . .
C51 C50 H50 121.6 . .
C49 C50 H50 121.6 . .
N7 C51 C50 123.2(12) . .
N7 C51 H51 118.4 . .
C50 C51 H51 118.4 . .
C19 O1 Cd1 129.9(5) . .
C19 O2 Cd2 115.9(5) . .
C27 O3 Cd1 128.3(5) . .
C35 O5 Cd2 118.1(5) . .
C55 N11 N12 108.0 . .
C55 N11 Cd2 115.0(7) . .
N12 N11 Cd2 137.0(7) . .
C53 N12 N11 108.0 . .
C53 N12 H12A 126.0 . .
N11 N12 H12A 126.0 . .
C54 C53 N12 108.0 . .
C54 C53 H53A 126.0 . .
N12 C53 H53A 126.0 . .
C55 C54 C53 108.0 . .
C55 C54 H54A 126.0 . .
C53 C54 H54A 126.0 . .
N11 C55 C54 108.0 . .
N11 C55 C56 120.9(10) . .
C54 C55 C56 131.1(10) . .
C56 N10 C60 120.0 . .
C56 N10 Cd2 114.9(5) . .
C60 N10 Cd2 123.4(5) . .
N10 C56 C57 120.0 . .
N10 C56 C55 117.3(8) . .
C57 C56 C55 121.9(8) . .
C58 C57 C56 120.0 . .
C58 C57 H57A 120.0 . .
C56 C57 H57A 120.0 . .
C57 C58 C59 120.0 . .
C57 C58 H58A 120.0 . .
C59 C58 H58A 120.0 . .
C60 C59 C58 120.0 . .
C60 C59 H59A 120.0 . .
C58 C59 H59A 120.0 . .
C59 C60 N10 120.0 . .
C59 C60 H60A 120.0 . .
N10 C60 H60A 120.0 . .
O8 C61 O7 121.4(9) . .
O8 C61 C62 118.7(9) . .
O7 C61 C62 119.9(9) . .
C63 C62 C68 120.5(7) . .
C63 C62 C61 121.4(7) . .
C68 C62 C61 118.1(6) . .
C62 C63 C64 120.5(7) . .
C62 C63 C68 119.5(6) . 7_667
C64 C63 C68 119.4(6) . 7_667
C65 C64 C63 119.7(8) . .
C65 C64 H64A 120.2 . .
C63 C64 H64A 120.2 . .
C64 C65 C66 120.8(8) . 7_667
C64 C65 H65A 119.6 . .
C66 C65 H65A 119.6 7_667 .
C65 C66 C67 119.1(7) 7_667 .
C65 C66 H66A 120.4 7_667 .
C67 C66 H66A 120.4 . .
C68 C67 C66 119.4(7) . .
C68 C67 H67A 120.3 . .
C66 C67 H67A 120.3 . .
C67 C68 C63 120.3(6) . 7_667
C67 C68 C62 119.6(7) . .
C63 C68 C62 119.5(6) 7_667 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O3 2.249(5) .
Cd1 O1 2.292(5) .
Cd1 N2 2.303(6) .
Cd1 N5 2.326(6) .
Cd1 N1 2.333(7) .
Cd1 N4 2.404(6) .
Cd2 O2 2.215(6) .
Cd2 O5 2.270(5) .
Cd2 N8 2.330(8) .
Cd2 N11 2.372(8) .
Cd2 N7 2.383(8) .
Cd2 N10 2.425(6) .
N1 C1 1.325(11) .
N1 C5 1.365(11) .
N2 N3 1.319(9) .
N2 C6 1.329(10) .
N4 C10 1.325(10) .
N4 C14 1.352(9) .
N5 C15 1.348(9) .
N5 N6 1.352(8) .
N8 C46 1.331(10) .
N8 N9 1.355(10) .
N7 C51 1.317(13) .
N7 C47 1.322(12) .
C1 C2 1.376(14) .
C1 H1 0.9300 .
C2 C3 1.411(17) .
C2 H2 0.9300 .
C3 C4 1.339(16) .
C3 H3 0.9300 .
C4 C5 1.393(12) .
C4 H4 0.9300 .
C5 C6 1.460(13) .
C6 C7 1.403(13) .
C7 C8 1.373(15) .
C7 H7 0.9300 .
C8 N3 1.357(11) .
C8 H8 0.9300 .
N3 H3A 0.8600 .
C10 C11 1.369(11) .
C10 H10 0.9300 .
C11 C12 1.355(12) .
C11 H11 0.9300 .
C12 C13 1.368(11) .
C12 H12 0.9300 .
C13 C14 1.371(10) .
C13 H13 0.9300 .
C14 C15 1.485(11) .
C15 C16 1.375(11) .
C16 C17 1.343(12) .
C16 H16 0.9300 .
C17 N6 1.318(10) .
C17 H17 0.9300 .
N6 H6A 0.8600 .
C19 O2 1.246(9) .
C19 O1 1.252(8) .
C19 C20 1.513(10) .
C20 C26 1.404(11) .
C20 C21 1.411(10) .
C21 C22 1.425(11) .
C21 C26 1.446(10) 7_666
C22 C23 1.379(11) .
C22 H22 0.9300 .
C23 C24 1.367(12) 7_666
C23 H23 0.9300 .
C24 C23 1.367(12) 7_666
C24 C25 1.370(12) .
C24 H24 0.9300 .
C25 C26 1.421(11) .
C25 H25 0.9300 .
C26 C21 1.446(10) 7_666
C27 O4 1.217(9) .
C27 O3 1.276(8) .
C27 C28 1.525(10) .
C28 C29 1.393(10) .
C28 C34 1.398(10) .
C29 C34 1.436(10) 5_676
C29 C30 1.451(11) .
C30 C31 1.359(12) .
C30 H30 0.9300 .
C31 C32 1.406(13) 5_676
C31 H31 0.9300 .
C32 C33 1.347(12) .
C32 C31 1.406(13) 5_676
C32 H32 0.9300 .
C33 C34 1.398(10) .
C33 H33 0.9300 .
C34 C29 1.436(10) 5_676
C35 O6 1.259(11) .
C35 O5 1.271(9) .
C35 C36 1.509(12) .
C36 C42 1.366(13) .
C36 C37 1.431(12) .
C37 C38 1.426(13) .
C37 C42 1.447(12) 5_776
C38 C39 1.356(14) .
C38 H38 0.9300 .
C39 C40 1.398(14) 5_776
C39 H39 0.9300 .
C40 C41 1.346(15) .
C40 C39 1.398(14) 5_776
C40 H40 0.9300 .
C41 C42 1.440(14) .
C41 H41 0.9300 .
C42 C37 1.447(12) 5_776
N9 C44 1.299(13) .
N9 H9A 0.8600 .
C44 C45 1.346(14) .
C44 H44 0.9300 .
C45 C46 1.381(14) .
C45 H45 0.9300 .
C46 C47 1.495(14) .
C47 C48 1.375(13) .
C48 C49 1.358(17) .
C48 H48 0.9300 .
C49 C50 1.405(19) .
C49 H49 0.9300 .
C50 C51 1.374(17) .
C50 H50 0.9300 .
C51 H51 0.9300 .
N11 C55 1.386(6) .
N11 N12 1.386(6) .
N12 C53 1.386(6) .
N12 H12A 0.8600 .
C53 C54 1.386(6) .
C53 H53A 0.9300 .
C54 C55 1.386(6) .
C54 H54A 0.9300 .
C55 C56 1.462(8) .
N10 C56 1.3900 .
N10 C60 1.3900 .
C56 C57 1.3900 .
C57 C58 1.3900 .
C57 H57A 0.9300 .
C58 C59 1.3900 .
C58 H58A 0.9300 .
C59 C60 1.3900 .
C59 H59A 0.9300 .
C60 H60A 0.9300 .
O7 C61 1.244(9) .
O8 C61 1.241(9) .
C61 C62 1.501(7) .
C62 C63 1.381(7) .
C62 C68 1.398(7) .
C63 C64 1.391(8) .
C63 C68 1.397(8) 7_667
C64 C65 1.380(10) .
C64 H64A 0.9300 .
C65 C66 1.394(10) 7_667
C65 H65A 0.9300 .
C66 C65 1.394(10) 7_667
C66 C67 1.399(8) .
C66 H66A 0.9300 .
C67 C68 1.391(7) .
C67 H67A 0.9300 .
C68 C63 1.397(8) 7_667
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
O3 Cd1 N1 C1 -135.2(8) . .
O1 Cd1 N1 C1 -57.7(7) . .
N2 Cd1 N1 C1 -179.3(7) . .
N5 Cd1 N1 C1 24.6(7) . .
N4 Cd1 N1 C1 95.5(7) . .
O3 Cd1 N1 C5 42.5(11) . .
O1 Cd1 N1 C5 120.0(5) . .
N2 Cd1 N1 C5 -1.6(5) . .
N5 Cd1 N1 C5 -157.7(5) . .
N4 Cd1 N1 C5 -86.8(5) . .
O3 Cd1 N2 N3 10.2(7) . .
O1 Cd1 N2 N3 93.4(7) . .
N5 Cd1 N2 N3 -109.0(8) . .
N1 Cd1 N2 N3 179.6(8) . .
N4 Cd1 N2 N3 -80.5(7) . .
O3 Cd1 N2 C6 -168.4(5) . .
O1 Cd1 N2 C6 -85.2(6) . .
N5 Cd1 N2 C6 72.5(8) . .
N1 Cd1 N2 C6 1.1(5) . .
N4 Cd1 N2 C6 100.9(6) . .
O3 Cd1 N4 C10 -85.0(6) . .
O1 Cd1 N4 C10 -157.2(6) . .
N2 Cd1 N4 C10 12.7(6) . .
N5 Cd1 N4 C10 -179.7(7) . .
N1 Cd1 N4 C10 83.4(7) . .
O3 Cd1 N4 C14 89.2(5) . .
O1 Cd1 N4 C14 17.1(7) . .
N2 Cd1 N4 C14 -173.1(5) . .
N5 Cd1 N4 C14 -5.4(5) . .
N1 Cd1 N4 C14 -102.4(5) . .
O3 Cd1 N5 C15 -83.6(5) . .
O1 Cd1 N5 C15 -162.9(5) . .
N2 Cd1 N5 C15 36.1(8) . .
N1 Cd1 N5 C15 101.6(5) . .
N4 Cd1 N5 C15 5.6(5) . .
O3 Cd1 N5 N6 88.0(6) . .
O1 Cd1 N5 N6 8.7(6) . .
N2 Cd1 N5 N6 -152.3(6) . .
N1 Cd1 N5 N6 -86.9(6) . .
N4 Cd1 N5 N6 177.2(7) . .
O2 Cd2 N8 C46 -175.7(6) . .
O5 Cd2 N8 C46 -83.2(6) . .
N11 Cd2 N8 C46 48.6(10) . .
N7 Cd2 N8 C46 8.7(6) . .
N10 Cd2 N8 C46 105.1(6) . .
O2 Cd2 N8 N9 -11.4(8) . .
O5 Cd2 N8 N9 81.0(7) . .
N11 Cd2 N8 N9 -147.1(8) . .
N7 Cd2 N8 N9 173.0(8) . .
N10 Cd2 N8 N9 -90.6(7) . .
O2 Cd2 N7 C51 37(3) . .
O5 Cd2 N7 C51 -95.7(8) . .
N8 Cd2 N7 C51 178.3(8) . .
N11 Cd2 N7 C51 15.1(8) . .
N10 Cd2 N7 C51 86.5(8) . .
O2 Cd2 N7 C47 -148(2) . .
O5 Cd2 N7 C47 79.4(6) . .
N8 Cd2 N7 C47 -6.5(6) . .
N11 Cd2 N7 C47 -169.8(7) . .
N10 Cd2 N7 C47 -98.4(6) . .
C5 N1 C1 C2 -0.4(13) . .
Cd1 N1 C1 C2 177.3(7) . .
N1 C1 C2 C3 -0.5(15) . .
C1 C2 C3 C4 2.3(17) . .
C2 C3 C4 C5 -3.0(17) . .
C1 N1 C5 C4 -0.4(12) . .
Cd1 N1 C5 C4 -178.2(6) . .
C1 N1 C5 C6 179.8(7) . .
Cd1 N1 C5 C6 2.0(9) . .
C3 C4 C5 N1 2.1(14) . .
C3 C4 C5 C6 -178.1(9) . .
N3 N2 C6 C7 -0.3(9) . .
Cd1 N2 C6 C7 178.7(5) . .
N3 N2 C6 C5 -179.4(7) . .
Cd1 N2 C6 C5 -0.4(9) . .
N1 C5 C6 N2 -1.0(11) . .
C4 C5 C6 N2 179.1(8) . .
N1 C5 C6 C7 -179.9(8) . .
C4 C5 C6 C7 0.2(14) . .
N2 C6 C7 C8 -0.4(10) . .
C5 C6 C7 C8 178.6(9) . .
C6 C7 C8 N3 0.8(10) . .
C6 N2 N3 C8 0.8(9) . .
Cd1 N2 N3 C8 -177.8(6) . .
C7 C8 N3 N2 -1.1(10) . .
C14 N4 C10 C11 -1.8(12) . .
Cd1 N4 C10 C11 172.5(7) . .
N4 C10 C11 C12 2.8(14) . .
C10 C11 C12 C13 -2.9(14) . .
C11 C12 C13 C14 2.2(13) . .
C10 N4 C14 C13 1.0(10) . .
Cd1 N4 C14 C13 -173.8(5) . .
C10 N4 C14 C15 179.5(6) . .
Cd1 N4 C14 C15 4.7(7) . .
C12 C13 C14 N4 -1.3(11) . .
C12 C13 C14 C15 -179.7(7) . .
N6 N5 C15 C16 0.2(8) . .
Cd1 N5 C15 C16 174.2(6) . .
N6 N5 C15 C14 -179.5(6) . .
Cd1 N5 C15 C14 -5.5(8) . .
N4 C14 C15 N5 0.4(9) . .
C13 C14 C15 N5 178.9(6) . .
N4 C14 C15 C16 -179.2(8) . .
C13 C14 C15 C16 -0.7(13) . .
N5 C15 C16 C17 0.4(11) . .
C14 C15 C16 C17 -179.9(8) . .
C15 C16 C17 N6 -0.9(12) . .
C16 C17 N6 N5 1.1(11) . .
C15 N5 N6 C17 -0.8(8) . .
Cd1 N5 N6 C17 -173.1(6) . .
O2 C19 C20 C26 -71.8(9) . .
O1 C19 C20 C26 105.6(8) . .
O2 C19 C20 C21 107.2(8) . .
O1 C19 C20 C21 -75.3(9) . .
C26 C20 C21 C22 178.2(7) . .
C19 C20 C21 C22 -0.9(11) . .
C26 C20 C21 C26 -1.8(11) . 7_666
C19 C20 C21 C26 179.2(6) . 7_666
C20 C21 C22 C23 179.5(7) . .
C26 C21 C22 C23 -0.6(11) 7_666 .
C21 C22 C23 C24 0.2(12) . 7_666
C23 C24 C25 C26 -0.1(13) 7_666 .
C21 C20 C26 C25 -179.3(7) . .
C19 C20 C26 C25 -0.3(11) . .
C21 C20 C26 C21 1.8(12) . 7_666
C19 C20 C26 C21 -179.2(6) . 7_666
C24 C25 C26 C20 -178.4(8) . .
C24 C25 C26 C21 0.5(11) . 7_666
O4 C27 C28 C29 -86.6(10) . .
O3 C27 C28 C29 92.9(8) . .
O4 C27 C28 C34 94.4(9) . .
O3 C27 C28 C34 -86.1(9) . .
C34 C28 C29 C34 1.3(12) . 5_676
C27 C28 C29 C34 -177.8(6) . 5_676
C34 C28 C29 C30 178.4(7) . .
C27 C28 C29 C30 -0.6(11) . .
C28 C29 C30 C31 -177.3(9) . .
C34 C29 C30 C31 -0.1(12) 5_676 .
C29 C30 C31 C32 -0.5(15) . 5_676
C31 C32 C33 C34 0.2(16) 5_676 .
C32 C33 C34 C28 -178.6(9) . .
C32 C33 C34 C29 0.4(13) . 5_676
C29 C28 C34 C33 177.8(8) . .
C27 C28 C34 C33 -3.2(11) . .
C29 C28 C34 C29 -1.2(11) . 5_676
C27 C28 C34 C29 177.8(6) . 5_676
O6 C35 C36 C42 99.1(11) . .
O5 C35 C36 C42 -83.6(11) . .
O6 C35 C36 C37 -81.3(12) . .
O5 C35 C36 C37 96.1(10) . .
C42 C36 C37 C38 178.2(8) . .
C35 C36 C37 C38 -1.5(12) . .
C42 C36 C37 C42 0.3(14) . 5_776
C35 C36 C37 C42 -179.3(7) . 5_776
C36 C37 C38 C39 -179.6(9) . .
C42 C37 C38 C39 -1.8(14) 5_776 .
C37 C38 C39 C40 -0.3(16) . 5_776
C39 C40 C41 C42 3.7(19) 5_776 .
C37 C36 C42 C41 179.1(8) . .
C35 C36 C42 C41 -1.3(13) . .
C37 C36 C42 C37 -0.3(14) . 5_776
C35 C36 C42 C37 179.3(8) . 5_776
C40 C41 C42 C36 179.1(11) . .
C40 C41 C42 C37 -1.5(15) . 5_776
C46 N8 N9 C44 -0.6(10) . .
Cd2 N8 N9 C44 -166.2(7) . .
N8 N9 C44 C45 0.7(13) . .
N9 C44 C45 C46 -0.5(14) . .
N9 N8 C46 C45 0.3(10) . .
Cd2 N8 C46 C45 169.3(7) . .
N9 N8 C46 C47 -179.2(7) . .
Cd2 N8 C46 C47 -10.2(10) . .
C44 C45 C46 N8 0.1(13) . .
C44 C45 C46 C47 179.5(10) . .
C51 N7 C47 C48 2.0(14) . .
Cd2 N7 C47 C48 -173.4(8) . .
C51 N7 C47 C46 179.3(8) . .
Cd2 N7 C47 C46 3.9(10) . .
N8 C46 C47 N7 4.1(12) . .
C45 C46 C47 N7 -175.2(10) . .
N8 C46 C47 C48 -178.4(9) . .
C45 C46 C47 C48 2.2(16) . .
N7 C47 C48 C49 -1.2(16) . .
C46 C47 C48 C49 -178.5(10) . .
C47 C48 C49 C50 -2(2) . .
C48 C49 C50 C51 3(2) . .
C47 N7 C51 C50 0.1(16) . .
Cd2 N7 C51 C50 175.1(9) . .
C49 C50 C51 N7 -3(2) . .
O2 C19 O1 Cd1 -178.3(5) . .
C20 C19 O1 Cd1 4.5(10) . .
O3 Cd1 O1 C19 116.4(6) . .
N2 Cd1 O1 C19 23.4(7) . .
N5 Cd1 O1 C19 -147.3(6) . .
N1 Cd1 O1 C19 -48.6(6) . .
N4 Cd1 O1 C19 -168.5(5) . .
O1 C19 O2 Cd2 -1.4(10) . .
C20 C19 O2 Cd2 175.8(5) . .
O5 Cd2 O2 C19 -57.1(6) . .
N8 Cd2 O2 C19 30.6(6) . .
N11 Cd2 O2 C19 -167.7(6) . .
N7 Cd2 O2 C19 170(2) . .
N10 Cd2 O2 C19 120.0(6) . .
O4 C27 O3 Cd1 24.3(12) . .
C28 C27 O3 Cd1 -155.1(5) . .
O1 Cd1 O3 C27 -158.1(6) . .
N2 Cd1 O3 C27 -36.8(6) . .
N5 Cd1 O3 C27 121.6(6) . .
N1 Cd1 O3 C27 -78.5(10) . .
N4 Cd1 O3 C27 51.7(6) . .
O6 C35 O5 Cd2 12.5(13) . .
C36 C35 O5 Cd2 -164.7(6) . .
O2 Cd2 O5 C35 -118.3(6) . .
N8 Cd2 O5 C35 127.3(6) . .
N11 Cd2 O5 C35 -31.8(7) . .
N7 Cd2 O5 C35 57.0(6) . .
N10 Cd2 O5 C35 -138.1(17) . .
O2 Cd2 N11 C55 -75.8(5) . .
O5 Cd2 N11 C55 -168.1(5) . .
N8 Cd2 N11 C55 64.6(9) . .
N7 Cd2 N11 C55 101.8(5) . .
N10 Cd2 N11 C55 3.5(5) . .
O2 Cd2 N11 N12 100.5(5) . .
O5 Cd2 N11 N12 8.2(6) . .
N8 Cd2 N11 N12 -119.1(7) . .
N7 Cd2 N11 N12 -81.9(6) . .
N10 Cd2 N11 N12 179.8(6) . .
C55 N11 N12 C53 0.0 . .
Cd2 N11 N12 C53 -176.5(9) . .
N11 N12 C53 C54 0.0 . .
N12 C53 C54 C55 0.0 . .
N12 N11 C55 C54 0.0 . .
Cd2 N11 C55 C54 177.3(6) . .
N12 N11 C55 C56 179.9(3) . .
Cd2 N11 C55 C56 -2.7(7) . .
C53 C54 C55 N11 0.0 . .
C53 C54 C55 C56 -179.9(3) . .
O2 Cd2 N10 C56 84.9(4) . .
O5 Cd2 N10 C56 105.0(18) . .
N8 Cd2 N10 C56 -160.9(4) . .
N11 Cd2 N10 C56 -4.1(4) . .
N7 Cd2 N10 C56 -90.2(5) . .
O2 Cd2 N10 C60 -80.3(5) . .
O5 Cd2 N10 C60 -60.1(19) . .
N8 Cd2 N10 C60 34.0(5) . .
N11 Cd2 N10 C60 -169.2(5) . .
N7 Cd2 N10 C60 104.6(5) . .
C60 N10 C56 C57 0.0 . .
Cd2 N10 C56 C57 -165.7(5) . .
C60 N10 C56 C55 169.9(6) . .
Cd2 N10 C56 C55 4.3(6) . .
N11 C55 C56 N10 -1.1(7) . .
C54 C55 C56 N10 178.8(6) . .
N11 C55 C56 C57 168.6(6) . .
C54 C55 C56 C57 -11.5(6) . .
N10 C56 C57 C58 0.0 . .
C55 C56 C57 C58 -169.5(6) . .
C56 C57 C58 C59 0.0 . .
C57 C58 C59 C60 0.0 . .
C58 C59 C60 N10 0.0 . .
C56 N10 C60 C59 0.0 . .
Cd2 N10 C60 C59 164.4(5) . .
O8 C61 C62 C63 81.8(11) . .
O7 C61 C62 C63 -98.3(11) . .
O8 C61 C62 C68 -98.2(11) . .
O7 C61 C62 C68 81.7(11) . .
C68 C62 C63 C64 180.0(4) . .
C61 C62 C63 C64 0.0(3) . .
C68 C62 C63 C68 8.6(16) . 7_667
C61 C62 C63 C68 -171.4(16) . 7_667
C62 C63 C64 C65 180.0(4) . .
C68 C63 C64 C65 -8.6(17) 7_667 .
C63 C64 C65 C66 8.9(18) . 7_667
C65 C66 C67 C68 -9.1(18) 7_667 .
C66 C67 C68 C63 9.0(18) . 7_667
C66 C67 C68 C62 -179.8(5) . .
C63 C62 C68 C67 -179.9(4) . .
C61 C62 C68 C67 0.0(6) . .
C63 C62 C68 C63 -8.6(16) . 7_667
C61 C62 C68 C63 171.4(16) . 7_667
