#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/98/7219839.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_7219839
loop_
_publ_author_name
'Song, Bai-Qiao'
'Qin, Chao'
'Zhang, Yu-Teng'
'Wu, Xue-Song'
'Liu, Hong-Sheng'
'Shao, Kui-Zhan'
'Su, Zhong-Min'
_publ_section_title
;
 Coordination assemblies of seven metal-organic frameworks based on a bent
 connector: structural diversity and properties
;
_journal_issue                   16
_journal_name_full               CrystEngComm
_journal_page_first              3129
_journal_paper_doi               10.1039/C4CE02473G
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C27 H25 Cd N10 O6'
_chemical_formula_sum            'C27 H25 Cd N10 O6'
_chemical_formula_weight         697.97
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-10-25 deposited with the CCDC.
2015-03-10 downloaded from the CCDC.
;
_cell_angle_alpha                95.412(5)
_cell_angle_beta                 99.680(5)
_cell_angle_gamma                107.109(5)
_cell_formula_units_Z            2
_cell_length_a                   8.534(5)
_cell_length_b                   9.108(5)
_cell_length_c                   19.640(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1421.4(12)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'Diamond (Brandenburg and Putz, 2008)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0189
_diffrn_reflns_av_sigmaI/netI    0.0373
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8180
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         1.06
_exptl_absorpt_coefficient_mu    0.830
_exptl_absorpt_correction_T_max  0.8650
_exptl_absorpt_correction_T_min  0.8321
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             706
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.594
_refine_diff_density_min         -0.595
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         5007
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0500
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0747P)²+1.2283P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1103
_refine_ls_wR_factor_ref         0.1253
_reflns_number_gt                4339
_reflns_number_total             5007
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c4ce02473g2.cif
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3105 2015-03-04 15:46:00Z robertas 

 Adding full bibliography for 7219835--7219840.cif.
;
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_database_code               7219839
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.34274(4) 0.37288(4) 0.304405(15) 0.03138(14) Uani 1 1 d . . .
C1 C 0.4165(5) 0.1833(6) 0.3947(2) 0.0345(10) Uani 1 1 d . G .
C2 C 0.4567(5) 0.0861(5) 0.4491(2) 0.0309(9) Uani 1 1 d . . .
C3 C 0.5154(6) -0.0366(6) 0.4318(2) 0.0371(10) Uani 1 1 d . . .
H3 H 0.5253 -0.0618 0.3860 0.045 Uiso 1 1 calc R . .
C4 C 0.4406(6) 0.1220(6) 0.5174(2) 0.0374(10) Uani 1 1 d . . .
H4 H 0.4004 0.2034 0.5291 0.045 Uiso 1 1 calc R . .
C9 C 0.3517(6) 0.2491(6) 0.1466(2) 0.0411(11) Uani 1 1 d . . .
H9 H 0.2400 0.1891 0.1407 0.049 Uiso 1 1 calc R A 2
C10 C 0.6008(7) 0.3487(7) 0.1261(3) 0.0563(16) Uani 1 1 d . . .
H10 H 0.6927 0.3722 0.1048 0.068 Uiso 1 1 calc R B 2
C11 C 0.3818(6) 0.1643(6) 0.0279(2) 0.0419(12) Uani 1 1 d . . .
C12 C -0.4444(6) -0.2228(7) 0.0273(3) 0.0503(14) Uani 1 1 d . . .
H12 H -0.5319 -0.3159 0.0198 0.060 Uiso 1 1 calc R . .
C13 C -0.3761(6) -0.1419(7) 0.0944(3) 0.0517(14) Uani 1 1 d . . .
H13 H -0.4186 -0.1813 0.1319 0.062 Uiso 1 1 calc R . .
C14 C -0.2470(6) -0.0050(6) 0.1062(2) 0.0395(11) Uani 1 1 d . G .
C15 C -0.1892(7) 0.0543(7) 0.0491(3) 0.0526(14) Uani 1 1 d . . .
H15 H -0.1035 0.1485 0.0562 0.063 Uiso 1 1 calc R . .
C16 C -0.0787(5) 0.1711(5) 0.2871(2) 0.0312(9) Uani 1 1 d . . .
C17 C -0.1534(6) 0.0765(6) 0.1762(2) 0.0373(11) Uani 1 1 d . . .
C18 C -0.0912(5) 0.2157(5) 0.3598(2) 0.0289(9) Uani 1 1 d . G .
C19 C -0.1819(5) 0.3150(5) 0.3727(2) 0.0312(9) Uani 1 1 d . . .
H19 H -0.2344 0.3515 0.3357 0.037 Uiso 1 1 calc R G .
C20 C -0.1951(5) 0.3601(5) 0.4398(2) 0.0293(9) Uani 1 1 d . G .
H20 H -0.2547 0.4283 0.4480 0.035 Uiso 1 1 calc R . .
C21 C -0.1201(5) 0.3044(5) 0.4949(2) 0.0256(9) Uani 1 1 d . . .
C22 C -0.0255(6) 0.2074(5) 0.4831(2) 0.0334(10) Uani 1 1 d . G .
H22 H 0.0284 0.1726 0.5204 0.040 Uiso 1 1 calc R . .
C23 C -0.0120(6) 0.1628(5) 0.4153(2) 0.0337(10) Uani 1 1 d . . .
H23 H 0.0505 0.0972 0.4071 0.040 Uiso 1 1 calc R G .
C24 C 0.0637(7) 0.6846(6) 0.3746(2) 0.0431(12) Uani 1 1 d . . .
H24 H -0.0087 0.7436 0.3696 0.052 Uiso 1 1 calc R . .
C25 C 0.1150(7) 0.6151(7) 0.3231(2) 0.0485(13) Uani 1 1 d . . .
H25 H 0.0825 0.6178 0.2758 0.058 Uiso 1 1 calc R C 2
C26 C 0.2312(6) 0.5620(5) 0.4183(2) 0.0321(9) Uani 1 1 d . . .
H26 H 0.2936 0.5212 0.4504 0.038 Uiso 1 1 calc R D 2
C27 C 0.5963(6) 0.4043(7) 0.1916(2) 0.0490(13) Uani 1 1 d . G .
H27 H 0.6865 0.4742 0.2235 0.059 Uiso 1 1 calc R E 2
C28 C 0.2571(7) 0.0243(7) 0.0173(3) 0.0570(15) Uani 1 1 d . . .
H28 H 0.2186 -0.0172 0.0551 0.068 Uiso 1 1 calc R . .
C29 C -0.0481(12) -0.3190(14) 0.0967(7) 0.125(2) Uani 1 1 d U F 2
H29 H -0.1151 -0.3105 0.1312 0.150 Uiso 1 1 d R F 2
C30 C 0.2047(15) -0.1766(14) 0.1787(7) 0.157(5) Uani 1 1 d U F 2
H30A H 0.3090 -0.1902 0.1989 0.235 Uiso 1 1 calc R F 2
H30B H 0.1481 -0.1565 0.2151 0.235 Uiso 1 1 calc R F 2
H30C H 0.2259 -0.0904 0.1532 0.235 Uiso 1 1 calc R F 2
C31 C 0.159(2) -0.4496(18) 0.1248(7) 0.186(7) Uani 1 1 d U F 2
H31A H 0.0772 -0.5343 0.0927 0.278 Uiso 1 1 calc R F 2
H31B H 0.1787 -0.4812 0.1699 0.278 Uiso 1 1 calc R F 2
H31C H 0.2613 -0.4206 0.1081 0.278 Uiso 1 1 calc R F 2
N1 N 0.4389(5) 0.3423(5) 0.20409(19) 0.0388(9) Uani 1 1 d . G 2
N2 N 0.4429(5) 0.2506(5) 0.09730(19) 0.0431(10) Uani 1 1 d . G 2
N3 N 0.0559(5) 0.2065(5) 0.26044(19) 0.0413(10) Uani 1 1 d . G 2
N4 N 0.0090(5) 0.1456(5) 0.1900(2) 0.0474(11) Uani 1 1 d . G 2
N5 N -0.2134(4) 0.0899(4) 0.23572(18) 0.0314(8) Uani 1 1 d . G 2
N6 N -0.3839(4) 0.0274(5) 0.23956(19) 0.0371(9) Uani 1 1 d . G 2
H6A H -0.4031 -0.0566 0.2607 0.045 Uiso 1 1 d R G 2
H6B H -0.4067 0.0961 0.2668 0.045 Uiso 1 1 d R G 2
N7 N -0.1394(4) 0.3489(4) 0.56382(17) 0.0272(7) Uani 1 1 d . . 2
N8 N 0.2229(5) 0.5391(4) 0.35091(18) 0.0337(8) Uani 1 1 d . G 2
N9 N 0.6228(5) 0.6899(5) 0.3169(2) 0.0437(10) Uani 1 1 d . G 2
N10 N 0.0975(9) -0.3205(11) 0.1303(5) 0.123(2) Uani 1 1 d U F 2
O1 O 0.4157(4) 0.1428(4) 0.33228(17) 0.0450(8) Uani 1 1 d . G 2
O2 O 0.3874(4) 0.3059(4) 0.41524(18) 0.0466(8) Uani 1 1 d . G 2
O5 O 0.6156(4) 0.5730(4) 0.34727(18) 0.0468(8) Uani 1 1 d . G 2
O6 O 0.5016(5) 0.6863(5) 0.2713(2) 0.0581(10) Uani 1 1 d . G 2
O7 O 0.7484(5) 0.8063(5) 0.3328(3) 0.0811(15) Uani 1 1 d . G 2
O8 O -0.1295(16) -0.451(2) 0.0488(7) 0.317(10) Uani 1 1 d . F 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 '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
N8 Cd1 N1 135.18(14) . .
N8 Cd1 O2 85.86(13) . .
N1 Cd1 O2 136.89(14) . .
N8 Cd1 N3 84.41(14) . .
N1 Cd1 N3 97.43(13) . .
O2 Cd1 N3 99.67(13) . .
N8 Cd1 O1 138.13(12) . .
N1 Cd1 O1 86.62(13) . .
O2 Cd1 O1 54.84(12) . .
N3 Cd1 O1 88.36(14) . .
N8 Cd1 O5 88.27(14) . .
N1 Cd1 O5 84.75(13) . .
O2 Cd1 O5 84.04(12) . .
N3 Cd1 O5 171.51(13) . .
O1 Cd1 O5 99.98(12) . .
N8 Cd1 C1 112.30(14) . .
N1 Cd1 C1 112.20(14) . .
O2 Cd1 C1 27.54(13) . .
N3 Cd1 C1 94.23(14) . .
O1 Cd1 C1 27.30(12) . .
O5 Cd1 C1 92.52(13) . .
O1 C1 O2 122.3(4) . .
O1 C1 C2 120.1(4) . .
O2 C1 C2 117.6(4) . .
O1 C1 Cd1 64.0(2) . .
O2 C1 Cd1 58.4(2) . .
C2 C1 Cd1 175.9(3) . .
C3 C2 C4 119.6(4) . .
C3 C2 C1 120.2(4) . .
C4 C2 C1 120.1(4) . .
C2 C3 C4 120.2(4) . 2_656
C2 C3 H3 119.9 . .
C4 C3 H3 119.9 2_656 .
C2 C4 C3 120.2(4) . 2_656
C2 C4 H4 119.9 . .
C3 C4 H4 119.9 2_656 .
N1 C9 N2 111.8(4) . .
N1 C9 H9 124.1 . .
N2 C9 H9 124.1 . .
C27 C10 N2 106.2(4) . .
C27 C10 H10 126.9 . .
N2 C10 H10 126.9 . .
C28 C11 C12 120.3(4) . 2
C28 C11 N2 119.2(4) . .
C12 C11 N2 120.5(4) 2 .
C11 C12 C13 119.4(5) 2 .
C11 C12 H12 120.3 2 .
C13 C12 H12 120.3 . .
C14 C13 C12 120.9(5) . .
C14 C13 H13 119.5 . .
C12 C13 H13 119.5 . .
C13 C14 C15 118.6(4) . .
C13 C14 C17 124.0(4) . .
C15 C14 C17 117.2(4) . .
C28 C15 C14 120.8(5) 2 .
C28 C15 H15 119.6 2 .
C14 C15 H15 119.6 . .
N3 C16 N5 109.1(4) . .
N3 C16 C18 127.4(4) . .
N5 C16 C18 123.4(4) . .
N4 C17 N5 109.3(4) . .
N4 C17 C14 122.6(4) . .
N5 C17 C14 128.0(4) . .
C19 C18 C23 119.4(4) . .
C19 C18 C16 119.0(4) . .
C23 C18 C16 121.6(4) . .
C20 C19 C18 120.7(4) . .
C20 C19 H19 119.7 . .
C18 C19 H19 119.7 . .
C19 C20 C21 120.1(4) . .
C19 C20 H20 120.0 . .
C21 C20 H20 120.0 . .
C20 C21 C22 120.1(4) . .
C20 C21 N7 119.3(4) . .
C22 C21 N7 120.7(4) . .
C21 C22 C23 119.5(4) . .
C21 C22 H22 120.2 . .
C23 C22 H22 120.2 . .
C18 C23 C22 120.2(4) . .
C18 C23 H23 119.9 . .
C22 C23 H23 119.9 . .
C25 C24 N7 106.4(4) . 2_566
C25 C24 H24 126.8 . .
N7 C24 H24 126.8 2_566 .
C24 C25 N8 110.0(4) . .
C24 C25 H25 125.0 . .
N8 C25 H25 125.0 . .
N8 C26 N7 112.4(4) . 2_566
N8 C26 H26 123.8 . .
N7 C26 H26 123.8 2_566 .
C10 C27 N1 109.8(4) . .
C10 C27 H27 125.1 . .
N1 C27 H27 125.1 . .
C15 C28 C11 119.9(5) 2 .
C15 C28 H28 120.0 2 .
C11 C28 H28 120.0 . .
N10 C29 O8 112.3(13) . .
N10 C29 H29 107.2 . .
O8 C29 H29 109.6 . .
N10 C30 H30A 109.5 . .
N10 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
N10 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
N10 C31 H31A 109.5 . .
N10 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
N10 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C9 N1 C27 105.4(4) . .
C9 N1 Cd1 125.1(3) . .
C27 N1 Cd1 129.3(3) . .
C9 N2 C10 106.8(4) . .
C9 N2 C11 125.2(4) . .
C10 N2 C11 128.1(4) . .
C16 N3 N4 107.9(4) . .
C16 N3 Cd1 133.9(3) . .
N4 N3 Cd1 117.8(3) . .
C17 N4 N3 107.4(4) . .
C17 N5 C16 106.2(4) . .
C17 N5 N6 124.2(3) . .
C16 N5 N6 129.5(3) . .
N5 N6 H6A 112.5 . .
N5 N6 H6B 107.0 . .
H6A N6 H6B 104.7 . .
C26 N7 C24 106.2(4) 2_566 2_566
C26 N7 C21 126.3(3) 2_566 .
C24 N7 C21 127.5(4) 2_566 .
C26 N8 C25 105.0(4) . .
C26 N8 Cd1 120.3(3) . .
C25 N8 Cd1 134.1(3) . .
O7 N9 O6 120.8(5) . .
O7 N9 O5 120.3(4) . .
O6 N9 O5 118.9(4) . .
C29 N10 C31 124.8(12) . .
C29 N10 C30 117.1(11) . .
C31 N10 C30 118.1(10) . .
C1 O1 Cd1 88.7(3) . .
C1 O2 Cd1 94.1(3) . .
N9 O5 Cd1 110.1(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N8 2.266(4) .
Cd1 N1 2.282(4) .
Cd1 O2 2.316(3) .
Cd1 N3 2.427(4) .
Cd1 O1 2.439(4) .
Cd1 O5 2.451(4) .
Cd1 C1 2.714(5) .
C1 O1 1.245(5) .
C1 O2 1.258(6) .
C1 C2 1.509(6) .
C2 C3 1.390(7) .
C2 C4 1.389(6) .
C3 C4 1.392(7) 2_656
C3 H3 0.9300 .
C4 C3 1.392(7) 2_656
C4 H4 0.9300 .
C9 N1 1.310(6) .
C9 N2 1.339(6) .
C9 H9 0.9300 .
C10 C27 1.348(7) .
C10 N2 1.369(6) .
C10 H10 0.9300 .
C11 C28 1.370(7) .
C11 C12 1.372(7) 2
C11 N2 1.437(6) .
C12 C11 1.372(7) 2
C12 C13 1.388(7) .
C12 H12 0.9300 .
C13 C14 1.369(7) .
C13 H13 0.9300 .
C14 C15 1.390(7) .
C14 C17 1.473(6) .
C15 C28 1.369(7) 2
C15 H15 0.9300 .
C16 N3 1.309(6) .
C16 N5 1.362(5) .
C16 C18 1.477(6) .
C17 N4 1.311(6) .
C17 N5 1.363(5) .
C18 C19 1.384(6) .
C18 C23 1.385(6) .
C19 C20 1.376(6) .
C19 H19 0.9300 .
C20 C21 1.378(6) .
C20 H20 0.9300 .
C21 C22 1.389(6) .
C21 N7 1.427(5) .
C22 C23 1.390(6) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 C25 1.343(7) .
C24 N7 1.378(6) 2_566
C24 H24 0.9300 .
C25 N8 1.379(6) .
C25 H25 0.9300 .
C26 N8 1.308(5) .
C26 N7 1.345(6) 2_566
C26 H26 0.9300 .
C27 N1 1.369(6) .
C27 H27 0.9300 .
C28 C15 1.369(7) 2
C28 H28 0.9300 .
C29 N10 1.310(11) .
C29 O8 1.377(18) .
C29 H29 0.9700 .
C30 N10 1.492(15) .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 N10 1.422(14) .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
N3 N4 1.386(5) .
N5 N6 1.415(5) .
N6 H6A 0.8905 .
N6 H6B 0.8705 .
N7 C26 1.345(6) 2_566
N7 C24 1.378(6) 2_566
N9 O7 1.236(6) .
N9 O6 1.239(5) .
N9 O5 1.260(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
N8 Cd1 C1 O1 163.8(3) . .
N1 Cd1 C1 O1 -21.7(3) . .
O2 Cd1 C1 O1 -179.0(4) . .
N3 Cd1 C1 O1 78.1(3) . .
O5 Cd1 C1 O1 -107.0(3) . .
N8 Cd1 C1 O2 -17.2(3) . .
N1 Cd1 C1 O2 157.3(3) . .
N3 Cd1 C1 O2 -102.9(3) . .
O1 Cd1 C1 O2 179.0(4) . .
O5 Cd1 C1 O2 72.0(3) . .
N8 Cd1 C1 C2 -19(4) . .
N1 Cd1 C1 C2 156(4) . .
O2 Cd1 C1 C2 -2(4) . .
N3 Cd1 C1 C2 -104(4) . .
O1 Cd1 C1 C2 177(4) . .
O5 Cd1 C1 C2 70(4) . .
O1 C1 C2 C3 9.0(6) . .
O2 C1 C2 C3 -169.9(4) . .
Cd1 C1 C2 C3 -168(4) . .
O1 C1 C2 C4 -173.3(4) . .
O2 C1 C2 C4 7.9(6) . .
Cd1 C1 C2 C4 9(4) . .
C4 C2 C3 C4 -0.6(8) . 2_656
C1 C2 C3 C4 177.2(4) . 2_656
C3 C2 C4 C3 0.6(8) . 2_656
C1 C2 C4 C3 -177.2(4) . 2_656
C11 C12 C13 C14 -0.2(9) 2 .
C12 C13 C14 C15 2.1(9) . .
C12 C13 C14 C17 -171.5(5) . .
C13 C14 C15 C28 -1.6(9) . 2
C17 C14 C15 C28 172.5(6) . 2
C13 C14 C17 N4 140.8(6) . .
C15 C14 C17 N4 -32.9(8) . .
C13 C14 C17 N5 -37.1(8) . .
C15 C14 C17 N5 149.2(5) . .
N3 C16 C18 C19 113.8(5) . .
N5 C16 C18 C19 -62.8(6) . .
N3 C16 C18 C23 -65.0(7) . .
N5 C16 C18 C23 118.3(5) . .
C23 C18 C19 C20 -0.6(6) . .
C16 C18 C19 C20 -179.5(4) . .
C18 C19 C20 C21 -1.1(6) . .
C19 C20 C21 C22 2.5(6) . .
C19 C20 C21 N7 -178.1(4) . .
C20 C21 C22 C23 -2.2(6) . .
N7 C21 C22 C23 178.5(4) . .
C19 C18 C23 C22 0.9(7) . .
C16 C18 C23 C22 179.7(4) . .
C21 C22 C23 C18 0.5(7) . .
N7 C24 C25 N8 -0.5(6) 2_566 .
N2 C10 C27 N1 0.2(7) . .
C12 C11 C28 C15 -2.9(9) 2 2
N2 C11 C28 C15 175.4(6) . 2
N2 C9 N1 C27 -1.6(6) . .
N2 C9 N1 Cd1 -177.4(3) . .
C10 C27 N1 C9 0.8(7) . .
C10 C27 N1 Cd1 176.4(4) . .
N8 Cd1 N1 C9 -93.9(4) . .
O2 Cd1 N1 C9 108.4(4) . .
N3 Cd1 N1 C9 -4.4(4) . .
O1 Cd1 N1 C9 83.5(4) . .
O5 Cd1 N1 C9 -176.1(4) . .
C1 Cd1 N1 C9 93.3(4) . .
N8 Cd1 N1 C27 91.3(5) . .
O2 Cd1 N1 C27 -66.4(5) . .
N3 Cd1 N1 C27 -179.1(5) . .
O1 Cd1 N1 C27 -91.2(5) . .
O5 Cd1 N1 C27 9.1(5) . .
C1 Cd1 N1 C27 -81.5(5) . .
N1 C9 N2 C10 1.7(6) . .
N1 C9 N2 C11 -178.1(5) . .
C27 C10 N2 C9 -1.1(7) . .
C27 C10 N2 C11 178.7(5) . .
C28 C11 N2 C9 -30.9(8) . .
C12 C11 N2 C9 147.4(6) 2 .
C28 C11 N2 C10 149.3(6) . .
C12 C11 N2 C10 -32.4(9) 2 .
N5 C16 N3 N4 -0.7(5) . .
C18 C16 N3 N4 -177.8(4) . .
N5 C16 N3 Cd1 170.7(3) . .
C18 C16 N3 Cd1 -6.3(8) . .
N8 Cd1 N3 C16 -41.4(5) . .
N1 Cd1 N3 C16 -176.3(5) . .
O2 Cd1 N3 C16 43.4(5) . .
O1 Cd1 N3 C16 97.3(5) . .
O5 Cd1 N3 C16 -71.9(10) . .
C1 Cd1 N3 C16 70.6(5) . .
N8 Cd1 N3 N4 129.4(4) . .
N1 Cd1 N3 N4 -5.5(4) . .
O2 Cd1 N3 N4 -145.7(4) . .
O1 Cd1 N3 N4 -91.9(4) . .
O5 Cd1 N3 N4 98.9(8) . .
C1 Cd1 N3 N4 -118.5(4) . .
N5 C17 N4 N3 -0.4(6) . .
C14 C17 N4 N3 -178.6(5) . .
C16 N3 N4 C17 0.7(6) . .
Cd1 N3 N4 C17 -172.3(3) . .
N4 C17 N5 C16 0.0(6) . .
C14 C17 N5 C16 178.0(5) . .
N4 C17 N5 N6 -179.5(4) . .
C14 C17 N5 N6 -1.4(8) . .
N3 C16 N5 C17 0.5(5) . .
C18 C16 N5 C17 177.7(4) . .
N3 C16 N5 N6 179.9(4) . .
C18 C16 N5 N6 -2.9(7) . .
C20 C21 N7 C26 2.7(6) . 2_566
C22 C21 N7 C26 -178.0(4) . 2_566
C20 C21 N7 C24 -174.4(4) . 2_566
C22 C21 N7 C24 4.9(7) . 2_566
N7 C26 N8 C25 -1.7(5) 2_566 .
N7 C26 N8 Cd1 -173.6(3) 2_566 .
C24 C25 N8 C26 1.3(6) . .
C24 C25 N8 Cd1 171.6(4) . .
N1 Cd1 N8 C26 -157.0(3) . .
O2 Cd1 N8 C26 7.9(3) . .
N3 Cd1 N8 C26 108.1(3) . .
O1 Cd1 N8 C26 26.8(4) . .
O5 Cd1 N8 C26 -76.3(3) . .
C1 Cd1 N8 C26 15.8(4) . .
N1 Cd1 N8 C25 33.9(5) . .
O2 Cd1 N8 C25 -161.2(5) . .
N3 Cd1 N8 C25 -61.0(5) . .
O1 Cd1 N8 C25 -142.3(4) . .
O5 Cd1 N8 C25 114.7(5) . .
C1 Cd1 N8 C25 -153.3(5) . .
O8 C29 N10 C31 -6.8(17) . .
O8 C29 N10 C30 174.2(10) . .
O2 C1 O1 Cd1 -1.0(5) . .
C2 C1 O1 Cd1 -179.8(4) . .
N8 Cd1 O1 C1 -22.8(4) . .
N1 Cd1 O1 C1 160.0(3) . .
O2 Cd1 O1 C1 0.6(3) . .
N3 Cd1 O1 C1 -102.5(3) . .
O5 Cd1 O1 C1 75.9(3) . .
O1 C1 O2 Cd1 1.0(5) . .
C2 C1 O2 Cd1 179.9(3) . .
N8 Cd1 O2 C1 164.1(3) . .
N1 Cd1 O2 C1 -31.5(4) . .
N3 Cd1 O2 C1 80.5(3) . .
O1 Cd1 O2 C1 -0.6(3) . .
O5 Cd1 O2 C1 -107.2(3) . .
O7 N9 O5 Cd1 177.6(4) . .
O6 N9 O5 Cd1 -2.1(5) . .
N8 Cd1 O5 N9 -64.6(3) . .
N1 Cd1 O5 N9 71.1(3) . .
O2 Cd1 O5 N9 -150.6(3) . .
N3 Cd1 O5 N9 -34.2(9) . .
O1 Cd1 O5 N9 156.8(3) . .
C1 Cd1 O5 N9 -176.8(3) . .
