#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/89/4508971.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4508971
loop_
_publ_author_name
'Ma, Yu'
'Cheng, Ai-Ling'
'Zhang, Jian-Yong'
'Yue, Qi'
'Gao, En-Qing'
_publ_section_title
;
 One-, Two-, and Three-Dimensional Coordination Polymers of
 Stilbenedicarboxylate with Different Metal Ions
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              867
_journal_paper_doi               10.1021/cg800506g
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C28.5 H22.5 Cd N2.5 O4'
_chemical_formula_weight         576.39
_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                 108.2260(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.638(3)
_cell_length_b                   8.5009(8)
_cell_length_c                   20.568(2)
_cell_measurement_reflns_used    5155
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.52
_cell_measurement_theta_min      2.49
_cell_volume                     5254.3(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            15940
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         2.08
_diffrn_standards_decay_%        2.5
_exptl_absorpt_coefficient_mu    0.868
_exptl_absorpt_correction_T_max  0.9338
_exptl_absorpt_correction_T_min  0.9182
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       pole
_exptl_crystal_F_000             2328
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.770
_refine_diff_density_min         -0.681
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         6017
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0397
_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0564P)²+1.9985P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0981
_refine_ls_wR_factor_ref         0.1062
_reflns_number_gt                4591
_reflns_number_total             6017
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg800506gsup3.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'C2/c  '
_cod_original_formula_sum        'C28.50 H22.50 Cd N2.50 O4'
_cod_database_code               4508971
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.294254(7) 0.27945(3) 0.102241(11) 0.03631(9) Uani 1 1 d . . .
N1 N 0.32421(10) 0.4805(4) 0.05226(15) 0.0493(7) Uani 1 1 d . . .
N2 N 0.28683(11) 0.0299(4) 0.14593(14) 0.0484(7) Uani 1 1 d . . .
O1 O 0.37273(10) 0.2368(3) 0.17722(14) 0.0577(7) Uani 1 1 d . . .
O2 O 0.32576(8) 0.3837(3) 0.21030(12) 0.0520(6) Uani 1 1 d . . .
O3 O 0.28930(7) 0.1372(3) 0.00442(12) 0.0480(6) Uani 1 1 d . . .
O4 O 0.27312(8) 0.1575(4) -0.10696(13) 0.0594(7) Uani 1 1 d . . .
C1 C 0.36352(12) 0.3234(4) 0.22035(17) 0.0461(9) Uani 1 1 d . . .
C2 C 0.39911(12) 0.3602(4) 0.28639(17) 0.0474(9) Uani 1 1 d . . .
C3 C 0.44158(15) 0.2991(5) 0.3000(2) 0.0684(13) Uani 1 1 d . . .
H3A H 0.4483 0.2356 0.2678 0.082 Uiso 1 1 calc R . .
C4 C 0.39059(13) 0.4597(5) 0.33396(18) 0.0589(11) Uani 1 1 d . . .
H4A H 0.3626 0.5049 0.3249 0.071 Uiso 1 1 calc R . .
C5 C 0.47401(15) 0.3323(6) 0.3614(2) 0.0726(13) Uani 1 1 d . . .
H5A H 0.5023 0.2893 0.3702 0.087 Uiso 1 1 calc R . .
C6 C 0.42338(14) 0.4927(6) 0.3950(2) 0.0650(12) Uani 1 1 d . . .
H6A H 0.4171 0.5597 0.4265 0.078 Uiso 1 1 calc R . .
C7 C 0.46521(14) 0.4279(5) 0.4098(2) 0.0604(11) Uani 1 1 d . . .
C8 C 0.50071(16) 0.4553(6) 0.4749(2) 0.0697(13) Uani 1 1 d . . .
H8A H 0.5273 0.4019 0.4807 0.084 Uiso 1 1 calc R . .
C9 C 0.30064(10) 0.1401(4) -0.04849(17) 0.0381(7) Uani 1 1 d . . .
C10 C 0.34845(10) 0.1154(4) -0.04271(17) 0.0383(7) Uani 1 1 d . . .
C11 C 0.36094(12) 0.0921(5) -0.10116(19) 0.0542(10) Uani 1 1 d . . .
H11A H 0.3397 0.0983 -0.1442 0.065 Uiso 1 1 calc R . .
C12 C 0.38065(10) 0.1078(4) 0.02042(18) 0.0439(8) Uani 1 1 d . . .
H12A H 0.3727 0.1239 0.0598 0.053 Uiso 1 1 calc R . .
C13 C 0.40473(13) 0.0598(6) -0.0954(2) 0.0632(12) Uani 1 1 d . . .
H13A H 0.4126 0.0444 -0.1348 0.076 Uiso 1 1 calc R . .
C14 C 0.42437(11) 0.0768(5) 0.02613(19) 0.0498(9) Uani 1 1 d . . .
H14A H 0.4456 0.0738 0.0692 0.060 Uiso 1 1 calc R . .
C15 C 0.43721(11) 0.0497(5) -0.0320(2) 0.0492(9) Uani 1 1 d . . .
C16 C 0.48348(12) 0.0142(5) -0.0276(2) 0.0578(11) Uani 1 1 d . . .
H16A H 0.4899 0.0117 -0.0687 0.069 Uiso 1 1 calc R . .
C17 C 0.29849(16) 0.5757(5) 0.0052(2) 0.0674(12) Uani 1 1 d . . .
H17A H 0.2678 0.5636 -0.0066 0.081 Uiso 1 1 calc R . .
C18 C 0.3150(2) 0.6916(6) -0.0271(3) 0.0831(16) Uani 1 1 d . . .
H18A H 0.2959 0.7549 -0.0603 0.100 Uiso 1 1 calc R . .
C19 C 0.3600(2) 0.7111(6) -0.0091(3) 0.0804(16) Uani 1 1 d . . .
H19A H 0.3720 0.7879 -0.0304 0.097 Uiso 1 1 calc R . .
C20 C 0.38710(17) 0.6187(6) 0.0397(3) 0.0815(15) Uani 1 1 d . . .
H20A H 0.4178 0.6318 0.0531 0.098 Uiso 1 1 calc R . .
C21 C 0.36789(14) 0.5032(5) 0.0694(2) 0.0672(12) Uani 1 1 d . . .
H21A H 0.3865 0.4390 0.1029 0.081 Uiso 1 1 calc R . .
C22 C 0.25602(15) -0.0009(5) 0.1757(2) 0.0617(11) Uani 1 1 d . . .
H22A H 0.2360 0.0781 0.1773 0.074 Uiso 1 1 calc R . .
C23 C 0.25234(19) -0.1444(6) 0.2044(2) 0.0849(16) Uani 1 1 d . . .
H23A H 0.2304 -0.1612 0.2250 0.102 Uiso 1 1 calc R . .
C24 C 0.2813(2) -0.2617(6) 0.2021(3) 0.0854(18) Uani 1 1 d . . .
H24A H 0.2790 -0.3606 0.2200 0.102 Uiso 1 1 calc R . .
C25 C 0.3134(2) -0.2312(5) 0.1731(3) 0.0781(15) Uani 1 1 d . . .
H25A H 0.3342 -0.3077 0.1722 0.094 Uiso 1 1 calc R . .
C26 C 0.31470(16) -0.0860(5) 0.1452(2) 0.0669(12) Uani 1 1 d . . .
H26A H 0.3364 -0.0675 0.1244 0.080 Uiso 1 1 calc R . .
C29 C 0.5000 0.976(2) 0.2500 0.46(2) Uiso 1 2 d SD . .
H29A H 0.5000 1.0850 0.2500 0.551 Uiso 1 2 calc SR A 1
N3 N 0.5000 0.6648(16) 0.2500 0.266(7) Uiso 1 2 d SD . .
C27 C 0.4990(8) 0.736(2) 0.3073(6) 0.305(17) Uiso 0.50 1 d PD B 1
H27A H 0.4967 0.6783 0.3446 0.366 Uiso 0.50 1 calc PR B 1
C28 C 0.5015(8) 0.9009(19) 0.3089(6) 0.291(14) Uiso 0.50 1 d PD B 1
H28A H 0.5040 0.9568 0.3488 0.349 Uiso 0.50 1 calc PR B 1
C28' C 0.4583(3) 0.8992(16) 0.2331(7) 0.150(6) Uiso 0.50 1 d PD B 2
H28C H 0.4316 0.9544 0.2189 0.180 Uiso 0.50 1 calc PR B 2
C27' C 0.4597(3) 0.7417(16) 0.2388(8) 0.156(7) Uiso 0.50 1 d PD B 2
H27C H 0.4339 0.6849 0.2354 0.187 Uiso 0.50 1 calc PR B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O4 Cd1 O2 89.80(9) 7 .
O4 Cd1 O3 111.00(9) 7 .
O2 Cd1 O3 158.49(9) . .
O4 Cd1 N1 111.56(11) 7 .
O2 Cd1 N1 91.73(10) . .
O3 Cd1 N1 85.76(10) . .
O4 Cd1 N2 89.37(11) 7 .
O2 Cd1 N2 92.48(10) . .
O3 Cd1 N2 82.68(9) . .
N1 Cd1 N2 158.66(11) . .
O4 Cd1 O1 141.71(10) 7 .
O2 Cd1 O1 54.34(9) . .
O3 Cd1 O1 104.15(9) . .
N1 Cd1 O1 85.23(10) . .
N2 Cd1 O1 80.32(10) . .
O4 Cd1 C1 116.04(11) 7 .
O2 Cd1 C1 27.13(10) . .
O3 Cd1 C1 131.37(10) . .
N1 Cd1 C1 88.20(11) . .
N2 Cd1 C1 86.09(11) . .
O1 Cd1 C1 27.21(10) . .
C17 N1 C21 117.0(4) . .
C17 N1 Cd1 121.7(3) . .
C21 N1 Cd1 121.3(3) . .
C26 N2 C22 116.4(4) . .
C26 N2 Cd1 121.4(3) . .
C22 N2 Cd1 122.1(3) . .
C1 O1 Cd1 86.9(2) . .
C1 O2 Cd1 95.9(2) . .
C9 O3 Cd1 142.1(2) . .
C9 O4 Cd1 111.9(2) . 7
O1 C1 O2 122.8(3) . .
O1 C1 C2 119.2(3) . .
O2 C1 C2 118.0(3) . .
O1 C1 Cd1 65.91(19) . .
O2 C1 Cd1 56.93(17) . .
C2 C1 Cd1 174.7(3) . .
C4 C2 C3 118.6(3) . .
C4 C2 C1 120.7(3) . .
C3 C2 C1 120.7(4) . .
C5 C3 C2 120.2(4) . .
C5 C3 H3A 119.9 . .
C2 C3 H3A 119.9 . .
C2 C4 C6 120.6(4) . .
C2 C4 H4A 119.7 . .
C6 C4 H4A 119.7 . .
C7 C5 C3 121.3(4) . .
C7 C5 H5A 119.3 . .
C3 C5 H5A 119.3 . .
C7 C6 C4 121.1(4) . .
C7 C6 H6A 119.5 . .
C4 C6 H6A 119.5 . .
C6 C7 C5 118.2(4) . .
C6 C7 C8 123.0(4) . .
C5 C7 C8 118.8(4) . .
C8 C8 C7 127.7(6) 5_666 .
C8 C8 H8A 116.2 5_666 .
C7 C8 H8A 116.2 . .
O3 C9 O4 122.4(3) . .
O3 C9 C10 119.2(3) . .
O4 C9 C10 118.4(3) . .
C12 C10 C11 118.8(3) . .
C12 C10 C9 120.9(3) . .
C11 C10 C9 120.3(3) . .
C13 C11 C10 120.1(3) . .
C13 C11 H11A 119.9 . .
C10 C11 H11A 119.9 . .
C14 C12 C10 121.1(3) . .
C14 C12 H12A 119.5 . .
C10 C12 H12A 119.5 . .
C11 C13 C15 121.5(3) . .
C11 C13 H13A 119.3 . .
C15 C13 H13A 119.3 . .
C12 C14 C15 120.8(3) . .
C12 C14 H14A 119.6 . .
C15 C14 H14A 119.6 . .
C13 C15 C14 117.8(3) . .
C13 C15 C16 120.1(3) . .
C14 C15 C16 122.1(3) . .
C16 C16 C15 127.2(5) 5_655 .
C16 C16 H16A 116.4 5_655 .
C15 C16 H16A 116.4 . .
N1 C17 C18 123.3(5) . .
N1 C17 H17A 118.4 . .
C18 C17 H17A 118.4 . .
C19 C18 C17 118.5(5) . .
C19 C18 H18A 120.8 . .
C17 C18 H18A 120.8 . .
C20 C19 C18 119.8(5) . .
C20 C19 H19A 120.1 . .
C18 C19 H19A 120.1 . .
C19 C20 C21 118.3(5) . .
C19 C20 H20A 120.8 . .
C21 C20 H20A 120.8 . .
N1 C21 C20 123.1(5) . .
N1 C21 H21A 118.4 . .
C20 C21 H21A 118.4 . .
N2 C22 C23 123.0(4) . .
N2 C22 H22A 118.5 . .
C23 C22 H22A 118.5 . .
C24 C23 C22 119.1(5) . .
C24 C23 H23A 120.5 . .
C22 C23 H23A 120.5 . .
C25 C24 C23 118.6(5) . .
C25 C24 H24A 120.7 . .
C23 C24 H24A 120.7 . .
C24 C25 C26 118.9(5) . .
C24 C25 H25A 120.6 . .
C26 C25 H25A 120.6 . .
N2 C26 C25 124.0(4) . .
N2 C26 H26A 118.0 . .
C25 C26 H26A 118.0 . .
C28 C29 C28 124.1(16) 2_655 .
C28 C29 C28' 78.3(10) 2_655 .
C28 C29 C28' 76.9(10) . .
C28 C29 C28' 76.9(10) 2_655 2_655
C28 C29 C28' 78.3(10) . 2_655
C28' C29 C28' 125.3(15) . 2_655
C28 C29 H29A 118.0 2_655 .
C28 C29 H29A 118.0 . .
C28' C29 H29A 117.4 . .
C28' C29 H29A 117.4 2_655 .
C27 N3 C27 126.4(16) . 2_655
C27 N3 C27' 85.2(11) . 2_655
C27 N3 C27' 70.0(11) 2_655 2_655
C27 N3 C27' 70.0(11) . .
C27 N3 C27' 85.2(11) 2_655 .
C27' N3 C27' 123.8(14) 2_655 .
N3 C27 C28 117.0(10) . .
N3 C27 H27A 121.5 . .
C28 C27 H27A 121.5 . .
C29 C28 C27 117.5(10) . .
C29 C28 H28A 121.2 . .
C27 C28 H28A 121.2 . .
C27' C28' C29 115.7(10) . .
C27' C28' H28C 122.1 . .
C29 C28' H28C 122.1 . .
C28' C27' N3 119.2(9) . .
C28' C27' H27C 120.4 . .
N3 C27' H27C 120.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O4 2.229(2) 7
Cd1 O2 2.309(2) .
Cd1 O3 2.310(2) .
Cd1 N1 2.342(3) .
Cd1 N2 2.344(3) .
Cd1 O1 2.506(3) .
Cd1 C1 2.741(3) .
N1 C17 1.327(5) .
N1 C21 1.329(5) .
N2 C26 1.326(5) .
N2 C22 1.329(5) .
O1 C1 1.255(5) .
O2 C1 1.256(4) .
O3 C9 1.248(4) .
O4 C9 1.253(4) .
O4 Cd1 2.229(2) 7
C1 C2 1.501(5) .
C2 C4 1.382(5) .
C2 C3 1.385(6) .
C3 C5 1.385(5) .
C3 H3A 0.9300 .
C4 C6 1.384(5) .
C4 H4A 0.9300 .
C5 C7 1.379(6) .
C5 H5A 0.9300 .
C6 C7 1.377(6) .
C6 H6A 0.9300 .
C7 C8 1.472(5) .
C8 C8 1.294(9) 5_666
C8 H8A 0.9300 .
C9 C10 1.495(4) .
C10 C12 1.378(5) .
C10 C11 1.392(5) .
C11 C13 1.380(5) .
C11 H11A 0.9300 .
C12 C14 1.377(4) .
C12 H12A 0.9300 .
C13 C15 1.387(5) .
C13 H13A 0.9300 .
C14 C15 1.397(5) .
C14 H14A 0.9300 .
C15 C16 1.469(5) .
C16 C16 1.303(8) 5_655
C16 H16A 0.9300 .
C17 C18 1.379(6) .
C17 H17A 0.9300 .
C18 C19 1.365(8) .
C18 H18A 0.9300 .
C19 C20 1.349(7) .
C19 H19A 0.9300 .
C20 C21 1.393(6) .
C20 H20A 0.9300 .
C21 H21A 0.9300 .
C22 C23 1.375(6) .
C22 H22A 0.9300 .
C23 C24 1.365(7) .
C23 H23A 0.9300 .
C24 C25 1.355(8) .
C24 H24A 0.9300 .
C25 C26 1.367(6) .
C25 H25A 0.9300 .
C26 H26A 0.9300 .
C29 C28 1.355(12) 2_655
C29 C28 1.355(12) .
C29 C28' 1.414(11) .
C29 C28' 1.414(11) 2_655
C29 H29A 0.9300 .
N3 C27 1.333(11) .
N3 C27 1.333(11) 2_655
N3 C27' 1.387(10) 2_655
N3 C27' 1.387(10) .
C27 C28 1.407(16) .
C27 H27A 0.9300 .
C28 H28A 0.9300 .
C28' C27' 1.343(14) .
C28' H28C 0.9300 .
C27' H27C 0.9300 .
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
O4 Cd1 N1 C17 -30.2(3) 7 .
O2 Cd1 N1 C17 -120.6(3) . .
O3 Cd1 N1 C17 80.8(3) . .
N2 Cd1 N1 C17 138.0(3) . .
O1 Cd1 N1 C17 -174.6(3) . .
C1 Cd1 N1 C17 -147.5(3) . .
O4 Cd1 N1 C21 150.5(3) 7 .
O2 Cd1 N1 C21 60.0(3) . .
O3 Cd1 N1 C21 -98.6(3) . .
N2 Cd1 N1 C21 -41.3(5) . .
O1 Cd1 N1 C21 6.0(3) . .
C1 Cd1 N1 C21 33.1(3) . .
O4 Cd1 N2 C26 167.6(3) 7 .
O2 Cd1 N2 C26 -102.6(3) . .
O3 Cd1 N2 C26 56.4(3) . .
N1 Cd1 N2 C26 -1.4(5) . .
O1 Cd1 N2 C26 -49.4(3) . .
C1 Cd1 N2 C26 -76.2(3) . .
O4 Cd1 N2 C22 -15.7(3) 7 .
O2 Cd1 N2 C22 74.0(3) . .
O3 Cd1 N2 C22 -127.0(3) . .
N1 Cd1 N2 C22 175.2(3) . .
O1 Cd1 N2 C22 127.2(3) . .
C1 Cd1 N2 C22 100.4(3) . .
O4 Cd1 O1 C1 -23.9(3) 7 .
O2 Cd1 O1 C1 -0.2(2) . .
O3 Cd1 O1 C1 179.8(2) . .
N1 Cd1 O1 C1 95.4(2) . .
N2 Cd1 O1 C1 -100.4(2) . .
O4 Cd1 O2 C1 165.8(2) 7 .
O3 Cd1 O2 C1 0.2(4) . .
N1 Cd1 O2 C1 -82.6(2) . .
N2 Cd1 O2 C1 76.4(2) . .
O1 Cd1 O2 C1 0.2(2) . .
O4 Cd1 O3 C9 120.4(4) 7 .
O2 Cd1 O3 C9 -75.1(5) . .
N1 Cd1 O3 C9 8.9(4) . .
N2 Cd1 O3 C9 -153.1(4) . .
O1 Cd1 O3 C9 -75.1(4) . .
C1 Cd1 O3 C9 -74.9(4) . .
Cd1 O1 C1 O2 0.4(4) . .
Cd1 O1 C1 C2 -178.2(3) . .
Cd1 O2 C1 O1 -0.4(4) . .
Cd1 O2 C1 C2 178.2(3) . .
O4 Cd1 C1 O1 163.8(2) 7 .
O2 Cd1 C1 O1 179.6(4) . .
O3 Cd1 C1 O1 -0.3(3) . .
N1 Cd1 C1 O1 -83.1(2) . .
N2 Cd1 C1 O1 76.4(2) . .
O4 Cd1 C1 O2 -15.9(3) 7 .
O3 Cd1 C1 O2 -179.9(2) . .
N1 Cd1 C1 O2 97.3(2) . .
N2 Cd1 C1 O2 -103.2(2) . .
O1 Cd1 C1 O2 -179.6(4) . .
O4 Cd1 C1 C2 -33(3) 7 .
O2 Cd1 C1 C2 -17(3) . .
O3 Cd1 C1 C2 163(3) . .
N1 Cd1 C1 C2 80(3) . .
N2 Cd1 C1 C2 -120(3) . .
O1 Cd1 C1 C2 163(3) . .
O1 C1 C2 C4 177.6(4) . .
O2 C1 C2 C4 -1.1(6) . .
Cd1 C1 C2 C4 15(3) . .
O1 C1 C2 C3 -0.3(6) . .
O2 C1 C2 C3 -179.0(4) . .
Cd1 C1 C2 C3 -163(3) . .
C4 C2 C3 C5 2.8(7) . .
C1 C2 C3 C5 -179.2(4) . .
C3 C2 C4 C6 -2.4(6) . .
C1 C2 C4 C6 179.6(4) . .
C2 C3 C5 C7 -0.9(8) . .
C2 C4 C6 C7 0.1(7) . .
C4 C6 C7 C5 1.7(7) . .
C4 C6 C7 C8 -178.0(4) . .
C3 C5 C7 C6 -1.4(7) . .
C3 C5 C7 C8 178.3(4) . .
C6 C7 C8 C8 -2.9(9) . 5_666
C5 C7 C8 C8 177.4(6) . 5_666
Cd1 O3 C9 O4 -111.3(4) . .
Cd1 O3 C9 C10 71.3(5) . .
Cd1 O4 C9 O3 9.3(5) 7 .
Cd1 O4 C9 C10 -173.2(2) 7 .
O3 C9 C10 C12 -7.6(5) . .
O4 C9 C10 C12 174.9(3) . .
O3 C9 C10 C11 169.4(4) . .
O4 C9 C10 C11 -8.2(5) . .
C12 C10 C11 C13 0.9(6) . .
C9 C10 C11 C13 -176.0(4) . .
C11 C10 C12 C14 -0.4(6) . .
C9 C10 C12 C14 176.5(3) . .
C10 C11 C13 C15 -0.1(7) . .
C10 C12 C14 C15 -1.0(6) . .
C11 C13 C15 C14 -1.3(7) . .
C11 C13 C15 C16 179.6(4) . .
C12 C14 C15 C13 1.8(6) . .
C12 C14 C15 C16 -179.1(4) . .
C13 C15 C16 C16 -172.7(6) . 5_655
C14 C15 C16 C16 8.3(9) . 5_655
C21 N1 C17 C18 1.8(7) . .
Cd1 N1 C17 C18 -177.6(4) . .
N1 C17 C18 C19 -1.0(8) . .
C17 C18 C19 C20 -0.5(8) . .
C18 C19 C20 C21 1.2(8) . .
C17 N1 C21 C20 -1.1(7) . .
Cd1 N1 C21 C20 178.3(4) . .
C19 C20 C21 N1 -0.4(8) . .
C26 N2 C22 C23 -0.3(6) . .
Cd1 N2 C22 C23 -177.0(4) . .
N2 C22 C23 C24 -0.4(8) . .
C22 C23 C24 C25 1.7(9) . .
C23 C24 C25 C26 -2.2(9) . .
C22 N2 C26 C25 -0.3(7) . .
Cd1 N2 C26 C25 176.5(4) . .
C24 C25 C26 N2 1.6(9) . .
C27 N3 C27 C28 -3.4(8) 2_655 .
C27' N3 C27 C28 57.4(12) 2_655 .
C27' N3 C27 C28 -71.2(12) . .
C28 C29 C28 C27 -3.4(8) 2_655 .
C28' C29 C28 C27 62.4(11) . .
C28' C29 C28 C27 -68.5(11) 2_655 .
N3 C27 C28 C29 6.7(15) . .
C28 C29 C28' C27' 69.5(11) 2_655 .
C28 C29 C28' C27' -60.1(11) . .
C28' C29 C28' C27' 5.0(7) 2_655 .
C29 C28' C27' N3 -9.8(13) . .
C27 N3 C27' C28' 74.8(12) . .
C27 N3 C27' C28' -56.7(12) 2_655 .
C27' N3 C27' C28' 5.3(7) 2_655 .
