#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/63/7006358.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_7006358
loop_
_publ_author_name
'Ding, Bin'
'Yi, Long'
'Wang, Ying'
'Cheng, Peng'
'Liao, Dai-Zheng'
'Yan, Shi-Ping'
'Jiang, Zong-Hui'
'Song, Hai-Bin'
'Wang, Hong-Gen'
_publ_section_title
;
 Synthesis of a series of 4-pyridyl-1,2,4-triazole-containing
 cadmium(II) luminescent complexes.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              665
_journal_page_last               675
_journal_paper_doi               10.1039/b508332j
_journal_year                    2006
_chemical_formula_sum            'C35 H33.5 Cd2 N24 O15.75'
_chemical_formula_weight         1267.16
_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
_cell_angle_alpha                92.038(7)
_cell_angle_beta                 105.963(6)
_cell_angle_gamma                116.004(7)
_cell_formula_units_Z            2
_cell_length_a                   11.642(6)
_cell_length_b                   12.611(6)
_cell_length_c                   19.317(9)
_cell_measurement_reflns_used    935
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.39
_cell_measurement_theta_min      3.71
_cell_volume                     2410(2)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_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  0.0205
_diffrn_reflns_av_sigmaI/netI    0.0457
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            13987
_diffrn_reflns_theta_full        26.46
_diffrn_reflns_theta_max         26.46
_diffrn_reflns_theta_min         1.11
_exptl_absorpt_coefficient_mu    0.976
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.855796
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.746
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1267
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.944
_refine_diff_density_min         -0.808
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     731
_refine_ls_number_reflns         9803
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0358
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0425P)²+1.6511P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0885
_refine_ls_wR_factor_ref         0.0973
_reflns_number_gt                7585
_reflns_number_total             9803
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b508332j.txt
_cod_data_source_block           040220b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' 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      P-1
_cod_original_formula_sum        'C35 H33.50 Cd2 N24 O15.75'
_cod_database_code               7006358
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 0.61824(3) 0.65175(3) 0.187593(14) 0.03255(8) Uani 1 1 d . . .
Cd2 Cd 0.37987(3) 0.57927(2) 0.325200(14) 0.02883(8) Uani 1 1 d . . .
O1 O 0.1878(3) 0.6026(3) 0.28852(18) 0.0552(8) Uani 1 1 d . . .
O2 O 0.8265(3) 0.8223(3) 0.2389(2) 0.0686(10) Uani 1 1 d . . .
O3 O 0.7499(4) 0.5615(3) 0.16715(17) 0.0606(9) Uani 1 1 d . . .
O4 O 0.5705(4) 0.4600(4) 0.0779(3) 0.1113(18) Uani 1 1 d . . .
O5 O 0.7267(4) 0.4084(3) 0.1010(2) 0.0633(9) Uani 1 1 d . . .
O6 O 0.4862(4) 0.6150(3) 0.4667(2) 0.0706(10) Uani 1 1 d . . .
O7 O 0.4215(4) 0.7407(4) 0.4286(2) 0.0858(13) Uani 1 1 d . . .
O8 O 0.5074(3) 0.7534(3) 0.54364(16) 0.0601(9) Uani 1 1 d . . .
N1 N 0.6489(3) 0.5709(3) 0.29345(16) 0.0333(7) Uani 1 1 d . . .
N2 N 0.5680(3) 0.5462(3) 0.33813(16) 0.0325(7) Uani 1 1 d . . .
N3 N 0.7147(3) 0.4810(3) 0.37853(16) 0.0308(7) Uani 1 1 d . . .
N4 N 0.7932(3) 0.4346(3) 0.48995(17) 0.0379(8) Uani 1 1 d . . .
N5 N 0.5487(4) 0.7815(3) 0.23623(19) 0.0421(8) Uani 1 1 d . . .
N6 N 0.4903(3) 0.7652(3) 0.29112(18) 0.0364(7) Uani 1 1 d . . .
N7 N 0.5258(3) 0.9397(3) 0.26123(17) 0.0345(7) Uani 1 1 d . . .
N8 N 0.5681(4) 1.1000(3) 0.2014(2) 0.0503(9) Uani 1 1 d . . .
N9 N 0.3865(3) 0.5209(3) 0.14990(17) 0.0387(8) Uani 1 1 d . . .
N10 N 0.3082(3) 0.4929(3) 0.19575(17) 0.0400(8) Uani 1 1 d . . .
N11 N 0.1751(3) 0.4242(3) 0.08238(16) 0.0338(7) Uani 1 1 d . . .
N12 N 0.0827(3) 0.3722(3) -0.04370(18) 0.0424(8) Uani 1 1 d . . .
N13 N 0.6175(4) 0.7347(3) 0.08518(18) 0.0449(8) Uani 1 1 d . . .
N14 N 0.5362(4) 0.7876(4) 0.0596(2) 0.0579(11) Uani 1 1 d . . .
N15 N 0.6879(4) 0.8337(3) 0.00323(18) 0.0430(8) Uani 1 1 d . . .
N16 N 0.8379(5) 0.8328(4) -0.0538(2) 0.0653(12) Uani 1 1 d . . .
N17 N 0.2583(3) 0.3919(3) 0.34848(17) 0.0344(7) Uani 1 1 d . . .
N18 N 0.2310(4) 0.2906(3) 0.30296(19) 0.0485(9) Uani 1 1 d . . .
N19 N 0.1989(3) 0.2427(3) 0.40657(17) 0.0334(7) Uani 1 1 d . . .
N20 N 0.1500(4) 0.2227(3) 0.51545(19) 0.0436(8) Uani 1 1 d . . .
N21 N 0.6807(4) 0.4743(4) 0.1149(2) 0.0491(9) Uani 1 1 d . . .
N22 N 0.4730(3) 0.7056(3) 0.48108(18) 0.0392(8) Uani 1 1 d . . .
C1 C 0.7347(4) 0.5313(4) 0.3191(2) 0.0351(8) Uani 1 1 d . . .
H1 H 0.8012 0.5366 0.2994 0.042 Uiso 1 1 calc R . .
C2 C 0.6102(4) 0.4932(3) 0.3881(2) 0.0327(8) Uani 1 1 d . . .
H2 H 0.5735 0.4673 0.4252 0.039 Uiso 1 1 calc R . .
C3 C 0.7829(4) 0.4217(3) 0.4205(2) 0.0316(8) Uani 1 1 d . . .
C4 C 0.8287(4) 0.3577(4) 0.3872(2) 0.0449(10) Uani 1 1 d . . .
H4 H 0.8170 0.3513 0.3374 0.054 Uiso 1 1 calc R . .
C5 C 0.8933(5) 0.3029(4) 0.4315(3) 0.0522(12) Uani 1 1 d . . .
H5 H 0.9275 0.2591 0.4122 0.063 Uiso 1 1 calc R . .
C6 C 0.9058(4) 0.3145(4) 0.5047(3) 0.0501(11) Uani 1 1 d . . .
H6 H 0.9482 0.2781 0.5354 0.060 Uiso 1 1 calc R . .
C7 C 0.8552(4) 0.3803(4) 0.5317(2) 0.0463(10) Uani 1 1 d . . .
H7 H 0.8643 0.3876 0.5812 0.056 Uiso 1 1 calc R . .
C8 C 0.5680(5) 0.8857(4) 0.2198(2) 0.0458(10) Uani 1 1 d . . .
H8 H 0.6058 0.9186 0.1842 0.055 Uiso 1 1 calc R . .
C9 C 0.4790(4) 0.8614(4) 0.3050(2) 0.0379(9) Uani 1 1 d . . .
H9 H 0.4436 0.8744 0.3402 0.046 Uiso 1 1 calc R . .
C10 C 0.5218(4) 1.0502(3) 0.2538(2) 0.0378(9) Uani 1 1 d . . .
C11 C 0.4707(5) 1.0945(4) 0.2968(3) 0.0546(12) Uani 1 1 d . . .
H11 H 0.4426 1.0568 0.3339 0.066 Uiso 1 1 calc R . .
C12 C 0.4631(5) 1.1986(4) 0.2820(3) 0.0641(14) Uani 1 1 d . . .
H12 H 0.4287 1.2321 0.3093 0.077 Uiso 1 1 calc R . .
C13 C 0.5065(5) 1.2519(4) 0.2270(3) 0.0637(14) Uani 1 1 d . . .
H13 H 0.5003 1.3207 0.2157 0.076 Uiso 1 1 calc R . .
C14 C 0.5592(6) 1.2010(4) 0.1893(3) 0.0611(13) Uani 1 1 d . . .
H14 H 0.5908 1.2386 0.1530 0.073 Uiso 1 1 calc R . .
C15 C 0.3045(4) 0.4791(4) 0.0833(2) 0.0402(9) Uani 1 1 d . . .
H15 H 0.3312 0.4859 0.0418 0.048 Uiso 1 1 calc R . .
C16 C 0.1830(4) 0.4347(4) 0.1535(2) 0.0423(10) Uani 1 1 d . . .
H16 H 0.1090 0.4044 0.1702 0.051 Uiso 1 1 calc R . .
C17 C 0.0564(4) 0.3770(3) 0.0185(2) 0.0361(9) Uani 1 1 d . . .
C18 C -0.0680(4) 0.3479(4) 0.0244(2) 0.0479(11) Uani 1 1 d . . .
H18 H -0.0802 0.3522 0.0698 0.057 Uiso 1 1 calc R . .
C19 C -0.1745(5) 0.3119(4) -0.0397(3) 0.0558(12) Uani 1 1 d . . .
H19 H -0.2613 0.2899 -0.0385 0.067 Uiso 1 1 calc R . .
C20 C -0.1504(5) 0.3092(4) -0.1050(3) 0.0547(12) Uani 1 1 d . . .
H20 H -0.2203 0.2873 -0.1490 0.066 Uiso 1 1 calc R . .
C21 C -0.0220(5) 0.3391(4) -0.1050(2) 0.0511(11) Uani 1 1 d . . .
H21 H -0.0071 0.3363 -0.1498 0.061 Uiso 1 1 calc R . .
C22 C 0.7053(5) 0.7625(4) 0.0511(2) 0.0443(10) Uani 1 1 d . . .
H22 H 0.7709 0.7370 0.0585 0.053 Uiso 1 1 calc R . .
C23 C 0.5807(5) 0.8454(5) 0.0112(2) 0.0577(13) Uani 1 1 d . . .
H23 H 0.5442 0.8900 -0.0152 0.069 Uiso 1 1 calc R . .
C24 C 0.7647(5) 0.8842(4) -0.0443(2) 0.0442(10) Uani 1 1 d . . .
C25 C 0.7589(5) 0.9771(4) -0.0762(3) 0.0587(13) Uani 1 1 d . . .
H25 H 0.7078 1.0117 -0.0663 0.070 Uiso 1 1 calc R . .
C26 C 0.8320(6) 1.0182(5) -0.1240(3) 0.0689(15) Uani 1 1 d . . .
H26 H 0.8278 1.0791 -0.1485 0.083 Uiso 1 1 calc R . .
C27 C 0.9100(6) 0.9681(5) -0.1344(3) 0.0690(15) Uani 1 1 d . . .
H27 H 0.9606 0.9948 -0.1658 0.083 Uiso 1 1 calc R . .
C28 C 0.9124(6) 0.8782(5) -0.0981(3) 0.0744(17) Uani 1 1 d . . .
H28 H 0.9683 0.8464 -0.1041 0.089 Uiso 1 1 calc R . .
C29 C 0.1960(5) 0.2042(4) 0.3393(2) 0.0477(11) Uani 1 1 d . . .
H29 H 0.1718 0.1253 0.3215 0.057 Uiso 1 1 calc R . .
C30 C 0.2381(4) 0.3612(3) 0.4091(2) 0.0359(9) Uani 1 1 d . . .
H30 H 0.2490 0.4131 0.4486 0.043 Uiso 1 1 calc R . .
C31 C 0.1846(4) 0.1786(3) 0.4660(2) 0.0354(9) Uani 1 1 d . . .
C32 C 0.2098(4) 0.0821(4) 0.4699(3) 0.0476(11) Uani 1 1 d . . .
H32 H 0.2336 0.0548 0.4334 0.057 Uiso 1 1 calc R . .
C33 C 0.1985(5) 0.0268(4) 0.5300(3) 0.0585(13) Uani 1 1 d . . .
H33 H 0.2150 -0.0388 0.5349 0.070 Uiso 1 1 calc R . .
C34 C 0.1630(5) 0.0696(5) 0.5818(3) 0.0586(13) Uani 1 1 d . . .
H34 H 0.1545 0.0334 0.6226 0.070 Uiso 1 1 calc R . .
C35 C 0.1399(5) 0.1669(4) 0.5732(2) 0.0525(12) Uani 1 1 d . . .
H35 H 0.1161 0.1957 0.6090 0.063 Uiso 1 1 calc R . .
N23 N 0.1227(4) 0.8334(4) 0.3082(3) 0.0630(11) Uani 1 1 d . . .
O9 O 0.2341(8) 0.8391(9) 0.3509(9) 0.086(5) Uani 0.482(18) 1 d P A 1
O1O O 0.024(3) 0.7410(18) 0.3004(18) 0.107(9) Uani 0.482(18) 1 d P A 1
O11 O 0.121(3) 0.921(2) 0.2902(17) 0.083(7) Uani 0.482(18) 1 d P A 1
O9' O 0.2101(8) 0.8213(7) 0.2845(8) 0.076(4) Uani 0.518(18) 1 d P A 2
O10' O 0.028(3) 0.743(2) 0.3148(14) 0.085(7) Uani 0.518(18) 1 d P A 2
O11' O 0.108(3) 0.926(2) 0.3057(16) 0.087(8) Uani 0.518(18) 1 d P A 2
N24 N 0.8754(4) 0.1274(5) 0.2194(4) 0.0725(14) Uani 1 1 d . . .
O12 O 0.8401(5) 0.0301(5) 0.1823(3) 0.1076(16) Uani 1 1 d . . .
O13 O 0.8992(5) 0.2126(4) 0.1843(3) 0.1054(15) Uani 1 1 d . . .
O14 O 0.8849(5) 0.1416(7) 0.2803(3) 0.150(3) Uani 1 1 d . . .
O15 O 0.9294(4) 0.4303(3) 0.2363(2) 0.0766(11) Uani 1 1 d . . .
O16 O 0.6666(8) 0.1081(8) 0.0557(5) 0.089(3) Uani 0.50 1 d P . .
O17 O 0.518(2) 0.0134(16) 0.4663(9) 0.096(5) Uani 0.25 1 d PU . .
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
_geom_angle_publ_flag
N13 Cd1 N1 172.02(12) . . ?
N13 Cd1 O2 83.47(13) . . ?
N1 Cd1 O2 91.44(12) . . ?
N13 Cd1 N9 96.39(12) . . ?
N1 Cd1 N9 90.36(11) . . ?
O2 Cd1 N9 161.84(13) . . ?
N13 Cd1 O3 93.86(12) . . ?
N1 Cd1 O3 79.47(11) . . ?
O2 Cd1 O3 84.22(14) . . ?
N9 Cd1 O3 113.87(13) . . ?
N13 Cd1 N5 91.27(13) . . ?
N1 Cd1 N5 93.90(12) . . ?
O2 Cd1 N5 79.90(13) . . ?
N9 Cd1 N5 81.94(12) . . ?
O3 Cd1 N5 162.64(12) . . ?
N17 Cd2 O1 90.51(12) . . ?
N17 Cd2 N6 175.02(11) . . ?
O1 Cd2 N6 86.56(12) . . ?
N17 Cd2 N2 91.46(11) . . ?
O1 Cd2 N2 168.85(11) . . ?
N6 Cd2 N2 90.65(11) . . ?
N17 Cd2 N10 89.72(11) . . ?
O1 Cd2 N10 83.35(12) . . ?
N6 Cd2 N10 85.94(12) . . ?
N2 Cd2 N10 85.69(11) . . ?
N17 Cd2 O7 109.46(12) . . ?
O1 Cd2 O7 76.53(12) . . ?
N6 Cd2 O7 73.77(12) . . ?
N2 Cd2 O7 113.02(12) . . ?
N10 Cd2 O7 152.03(12) . . ?
N17 Cd2 O6 79.33(11) . . ?
O1 Cd2 O6 113.45(11) . . ?
N6 Cd2 O6 105.54(11) . . ?
N2 Cd2 O6 77.70(11) . . ?
N10 Cd2 O6 159.75(12) . . ?
O7 Cd2 O6 47.97(11) . . ?
N21 O3 Cd1 110.3(3) . . ?
N22 O6 Cd2 97.1(3) . . ?
N22 O7 Cd2 98.4(3) . . ?
C1 N1 N2 106.7(3) . . ?
C1 N1 Cd1 127.8(2) . . ?
N2 N1 Cd1 125.3(2) . . ?
C2 N2 N1 107.1(3) . . ?
C2 N2 Cd2 124.4(2) . . ?
N1 N2 Cd2 128.3(2) . . ?
C2 N3 C1 104.8(3) . . ?
C2 N3 C3 126.5(3) . . ?
C1 N3 C3 128.6(3) . . ?
C3 N4 C7 116.3(4) . . ?
C8 N5 N6 107.0(3) . . ?
C8 N5 Cd1 126.0(3) . . ?
N6 N5 Cd1 126.8(2) . . ?
C9 N6 N5 106.7(3) . . ?
C9 N6 Cd2 126.9(3) . . ?
N5 N6 Cd2 124.3(2) . . ?
C8 N7 C9 104.7(3) . . ?
C8 N7 C10 125.9(3) . . ?
C9 N7 C10 129.2(3) . . ?
C10 N8 C14 115.4(4) . . ?
C15 N9 N10 107.2(3) . . ?
C15 N9 Cd1 127.2(3) . . ?
N10 N9 Cd1 124.5(2) . . ?
C16 N10 N9 106.4(3) . . ?
C16 N10 Cd2 124.4(3) . . ?
N9 N10 Cd2 127.2(2) . . ?
C15 N11 C16 104.8(3) . . ?
C15 N11 C17 126.4(3) . . ?
C16 N11 C17 128.4(3) . . ?
C17 N12 C21 116.0(4) . . ?
C22 N13 N14 108.7(4) . . ?
C22 N13 Cd1 127.7(3) . . ?
N14 N13 Cd1 122.2(3) . . ?
C23 N14 N13 105.4(4) . . ?
C22 N15 C23 103.8(4) . . ?
C22 N15 C24 127.5(4) . . ?
C23 N15 C24 128.8(4) . . ?
C24 N16 C28 116.2(4) . . ?
C30 N17 N18 108.2(3) . . ?
C30 N17 Cd2 129.1(3) . . ?
N18 N17 Cd2 120.1(2) . . ?
C29 N18 N17 105.8(3) . . ?
C30 N19 C29 104.3(3) . . ?
C30 N19 C31 126.7(3) . . ?
C29 N19 C31 128.4(3) . . ?
C31 N20 C35 116.0(4) . . ?
O4 N21 O5 121.8(5) . . ?
O4 N21 O3 118.3(4) . . ?
O5 N21 O3 119.8(4) . . ?
O8 N22 O7 122.8(4) . . ?
O8 N22 O6 120.7(4) . . ?
O7 N22 O6 116.5(4) . . ?
N1 C1 N3 110.9(3) . . ?
N1 C1 H1 124.5 . . ?
N3 C1 H1 124.5 . . ?
N2 C2 N3 110.5(3) . . ?
N2 C2 H2 124.8 . . ?
N3 C2 H2 124.8 . . ?
N4 C3 C4 126.1(4) . . ?
N4 C3 N3 113.7(3) . . ?
C4 C3 N3 120.2(3) . . ?
C3 C4 C5 116.7(4) . . ?
C3 C4 H4 121.7 . . ?
C5 C4 H4 121.7 . . ?
C6 C5 C4 118.8(4) . . ?
C6 C5 H5 120.6 . . ?
C4 C5 H5 120.6 . . ?
C7 C6 C5 119.3(4) . . ?
C7 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
N4 C7 C6 122.9(4) . . ?
N4 C7 H7 118.5 . . ?
C6 C7 H7 118.5 . . ?
N5 C8 N7 110.9(4) . . ?
N5 C8 H8 124.6 . . ?
N7 C8 H8 124.6 . . ?
N6 C9 N7 110.7(3) . . ?
N6 C9 H9 124.6 . . ?
N7 C9 H9 124.6 . . ?
N8 C10 C11 125.8(4) . . ?
N8 C10 N7 113.1(3) . . ?
C11 C10 N7 121.1(4) . . ?
C10 C11 C12 116.6(5) . . ?
C10 C11 H11 121.7 . . ?
C12 C11 H11 121.7 . . ?
C13 C12 C11 119.9(5) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C14 C13 C12 118.1(5) . . ?
C14 C13 H13 120.9 . . ?
C12 C13 H13 120.9 . . ?
N8 C14 C13 124.2(5) . . ?
N8 C14 H14 117.9 . . ?
C13 C14 H14 117.9 . . ?
N9 C15 N11 110.7(3) . . ?
N9 C15 H15 124.7 . . ?
N11 C15 H15 124.7 . . ?
N10 C16 N11 110.9(3) . . ?
N10 C16 H16 124.6 . . ?
N11 C16 H16 124.6 . . ?
N12 C17 C18 125.4(4) . . ?
N12 C17 N11 113.4(3) . . ?
C18 C17 N11 121.1(4) . . ?
C17 C18 C19 117.3(4) . . ?
C17 C18 H18 121.3 . . ?
C19 C18 H18 121.3 . . ?
C20 C19 C18 118.9(4) . . ?
C20 C19 H19 120.6 . . ?
C18 C19 H19 120.6 . . ?
C19 C20 C21 119.2(4) . . ?
C19 C20 H20 120.4 . . ?
C21 C20 H20 120.4 . . ?
N12 C21 C20 123.1(4) . . ?
N12 C21 H21 118.4 . . ?
C20 C21 H21 118.4 . . ?
N13 C22 N15 110.2(4) . . ?
N13 C22 H22 124.9 . . ?
N15 C22 H22 124.9 . . ?
N14 C23 N15 112.0(4) . . ?
N14 C23 H23 124.0 . . ?
N15 C23 H23 124.0 . . ?
N16 C24 C25 124.8(4) . . ?
N16 C24 N15 114.3(4) . . ?
C25 C24 N15 120.9(4) . . ?
C24 C25 C26 117.5(5) . . ?
C24 C25 H25 121.2 . . ?
C26 C25 H25 121.2 . . ?
C27 C26 C25 119.2(5) . . ?
C27 C26 H26 120.4 . . ?
C25 C26 H26 120.4 . . ?
C28 C27 C26 118.7(5) . . ?
C28 C27 H27 120.6 . . ?
C26 C27 H27 120.6 . . ?
N16 C28 C27 123.4(5) . . ?
N16 C28 H28 118.3 . . ?
C27 C28 H28 118.3 . . ?
N18 C29 N19 111.8(4) . . ?
N18 C29 H29 124.1 . . ?
N19 C29 H29 124.1 . . ?
N17 C30 N19 110.0(3) . . ?
N17 C30 H30 125.0 . . ?
N19 C30 H30 125.0 . . ?
N20 C31 C32 124.9(4) . . ?
N20 C31 N19 114.5(3) . . ?
C32 C31 N19 120.5(4) . . ?
C31 C32 C33 117.5(4) . . ?
C31 C32 H32 121.2 . . ?
C33 C32 H32 121.2 . . ?
C34 C33 C32 119.2(5) . . ?
C34 C33 H33 120.4 . . ?
C32 C33 H33 120.4 . . ?
C33 C34 C35 119.0(5) . . ?
C33 C34 H34 120.5 . . ?
C35 C34 H34 120.5 . . ?
N20 C35 C34 123.3(5) . . ?
N20 C35 H35 118.4 . . ?
C34 C35 H35 118.4 . . ?
O11 N23 O1O 124(2) . . ?
O11 N23 O10' 128(2) . . ?
O1O N23 O10' 13(3) . . ?
O11 N23 O11' 18(3) . . ?
O1O N23 O11' 116.7(19) . . ?
O10' N23 O11' 116.5(19) . . ?
O11 N23 O9' 105.6(17) . . ?
O1O N23 O9' 113.0(14) . . ?
O10' N23 O9' 118.5(13) . . ?
O11' N23 O9' 122.1(15) . . ?
O11 N23 O9 119.7(17) . . ?
O1O N23 O9 114.8(16) . . ?
O10' N23 O9 107.4(15) . . ?
O11' N23 O9 120.1(13) . . ?
O9' N23 O9 56.6(5) . . ?
O14 N24 O12 124.6(7) . . ?
O14 N24 O13 121.5(7) . . ?
O12 N24 O13 113.8(6) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cd1 N13 2.271(3) . ?
Cd1 N1 2.327(3) . ?
Cd1 O2 2.333(3) . ?
Cd1 N9 2.337(3) . ?
Cd1 O3 2.373(3) . ?
Cd1 N5 2.385(3) . ?
Cd2 N17 2.298(3) . ?
Cd2 O1 2.305(3) . ?
Cd2 N6 2.348(3) . ?
Cd2 N2 2.354(3) . ?
Cd2 N10 2.449(3) . ?
Cd2 O7 2.585(5) . ?
Cd2 O6 2.602(4) . ?
O3 N21 1.255(5) . ?
O4 N21 1.213(5) . ?
O5 N21 1.227(5) . ?
O6 N22 1.248(5) . ?
O7 N22 1.231(5) . ?
O8 N22 1.206(4) . ?
N1 C1 1.294(5) . ?
N1 N2 1.392(4) . ?
N2 C2 1.301(5) . ?
N3 C2 1.351(5) . ?
N3 C1 1.359(5) . ?
N3 C3 1.434(5) . ?
N4 C3 1.311(5) . ?
N4 C7 1.339(5) . ?
N5 C8 1.299(5) . ?
N5 N6 1.385(4) . ?
N6 C9 1.304(5) . ?
N7 C8 1.348(5) . ?
N7 C9 1.352(5) . ?
N7 C10 1.425(5) . ?
N8 C10 1.327(5) . ?
N8 C14 1.345(6) . ?
N9 C15 1.297(5) . ?
N9 N10 1.387(4) . ?
N10 C16 1.301(5) . ?
N11 C15 1.349(5) . ?
N11 C16 1.350(5) . ?
N11 C17 1.441(5) . ?
N12 C17 1.325(5) . ?
N12 C21 1.337(5) . ?
N13 C22 1.294(5) . ?
N13 N14 1.380(5) . ?
N14 C23 1.287(6) . ?
N15 C22 1.347(5) . ?
N15 C23 1.368(6) . ?
N15 C24 1.428(5) . ?
N16 C24 1.320(6) . ?
N16 C28 1.350(6) . ?
N17 C30 1.297(5) . ?
N17 N18 1.384(4) . ?
N18 C29 1.291(5) . ?
N19 C30 1.353(5) . ?
N19 C29 1.357(5) . ?
N19 C31 1.433(5) . ?
N20 C31 1.324(5) . ?
N20 C35 1.345(5) . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C3 C4 1.371(5) . ?
C4 C5 1.385(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.376(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.369(6) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 C11 1.374(6) . ?
C11 C12 1.387(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.372(7) . ?
C12 H12 0.9300 . ?
C13 C14 1.371(7) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 C18 1.368(6) . ?
C18 C19 1.377(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.369(7) . ?
C19 H19 0.9300 . ?
C20 C21 1.372(7) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C25 1.362(6) . ?
C25 C26 1.387(7) . ?
C25 H25 0.9300 . ?
C26 C27 1.365(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.361(7) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C32 1.371(6) . ?
C32 C33 1.383(6) . ?
C32 H32 0.9300 . ?
C33 C34 1.360(7) . ?
C33 H33 0.9300 . ?
C34 C35 1.373(7) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
N23 O11 1.18(3) . ?
N23 O1O 1.19(2) . ?
N23 O10' 1.23(2) . ?
N23 O11' 1.25(3) . ?
N23 O9' 1.288(9) . ?
N23 O9 1.301(10) . ?
N24 O14 1.151(7) . ?
N24 O12 1.233(6) . ?
N24 O13 1.260(6) . ?
O17 O17 1.48(3) 2_656 ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N13 Cd1 O3 N21 -72.4(3) . . . . ?
N1 Cd1 O3 N21 112.0(3) . . . . ?
O2 Cd1 O3 N21 -155.4(3) . . . . ?
N9 Cd1 O3 N21 26.4(3) . . . . ?
N5 Cd1 O3 N21 -179.3(3) . . . . ?
N17 Cd2 O6 N22 -128.4(2) . . . . ?
O1 Cd2 O6 N22 -42.5(3) . . . . ?
N6 Cd2 O6 N22 50.5(2) . . . . ?
N2 Cd2 O6 N22 137.7(2) . . . . ?
N10 Cd2 O6 N22 173.3(3) . . . . ?
O7 Cd2 O6 N22 0.3(2) . . . . ?
N17 Cd2 O7 N22 54.0(3) . . . . ?
O1 Cd2 O7 N22 139.7(3) . . . . ?
N6 Cd2 O7 N22 -130.0(3) . . . . ?
N2 Cd2 O7 N22 -46.4(3) . . . . ?
N10 Cd2 O7 N22 -175.1(2) . . . . ?
O6 Cd2 O7 N22 -0.4(2) . . . . ?
N13 Cd1 N1 C1 -18.8(11) . . . . ?
O2 Cd1 N1 C1 -69.0(3) . . . . ?
N9 Cd1 N1 C1 129.0(3) . . . . ?
O3 Cd1 N1 C1 14.8(3) . . . . ?
N5 Cd1 N1 C1 -149.0(3) . . . . ?
N13 Cd1 N1 N2 167.3(8) . . . . ?
O2 Cd1 N1 N2 117.1(3) . . . . ?
N9 Cd1 N1 N2 -44.9(3) . . . . ?
O3 Cd1 N1 N2 -159.1(3) . . . . ?
N5 Cd1 N1 N2 37.1(3) . . . . ?
C1 N1 N2 C2 0.0(4) . . . . ?
Cd1 N1 N2 C2 175.0(3) . . . . ?
C1 N1 N2 Cd2 -176.2(3) . . . . ?
Cd1 N1 N2 Cd2 -1.2(4) . . . . ?
N17 Cd2 N2 C2 -40.9(3) . . . . ?
O1 Cd2 N2 C2 -141.0(5) . . . . ?
N6 Cd2 N2 C2 143.6(3) . . . . ?
N10 Cd2 N2 C2 -130.5(3) . . . . ?
O7 Cd2 N2 C2 71.0(3) . . . . ?
O6 Cd2 N2 C2 37.9(3) . . . . ?
N17 Cd2 N2 N1 134.7(3) . . . . ?
O1 Cd2 N2 N1 34.6(7) . . . . ?
N6 Cd2 N2 N1 -40.8(3) . . . . ?
N10 Cd2 N2 N1 45.1(3) . . . . ?
O7 Cd2 N2 N1 -113.4(3) . . . . ?
O6 Cd2 N2 N1 -146.5(3) . . . . ?
N13 Cd1 N5 C8 -24.7(4) . . . . ?
N1 Cd1 N5 C8 149.2(4) . . . . ?
O2 Cd1 N5 C8 58.4(4) . . . . ?
N9 Cd1 N5 C8 -121.0(4) . . . . ?
O3 Cd1 N5 C8 82.6(6) . . . . ?
N13 Cd1 N5 N6 160.8(3) . . . . ?
N1 Cd1 N5 N6 -25.2(3) . . . . ?
O2 Cd1 N5 N6 -116.0(3) . . . . ?
N9 Cd1 N5 N6 64.6(3) . . . . ?
O3 Cd1 N5 N6 -91.9(5) . . . . ?
C8 N5 N6 C9 -0.6(5) . . . . ?
Cd1 N5 N6 C9 174.7(3) . . . . ?
C8 N5 N6 Cd2 163.8(3) . . . . ?
Cd1 N5 N6 Cd2 -20.9(4) . . . . ?
N17 Cd2 N6 C9 98.0(13) . . . . ?
O1 Cd2 N6 C9 43.9(3) . . . . ?
N2 Cd2 N6 C9 -146.9(3) . . . . ?
N10 Cd2 N6 C9 127.5(4) . . . . ?
O7 Cd2 N6 C9 -33.1(3) . . . . ?
O6 Cd2 N6 C9 -69.5(4) . . . . ?
N17 Cd2 N6 N5 -63.1(13) . . . . ?
O1 Cd2 N6 N5 -117.2(3) . . . . ?
N2 Cd2 N6 N5 52.0(3) . . . . ?
N10 Cd2 N6 N5 -33.7(3) . . . . ?
O7 Cd2 N6 N5 165.8(3) . . . . ?
O6 Cd2 N6 N5 129.4(3) . . . . ?
N13 Cd1 N9 C15 24.1(4) . . . . ?
N1 Cd1 N9 C15 -151.6(4) . . . . ?
O2 Cd1 N9 C15 112.7(5) . . . . ?
O3 Cd1 N9 C15 -73.0(4) . . . . ?
N5 Cd1 N9 C15 114.5(4) . . . . ?
N13 Cd1 N9 N10 -142.7(3) . . . . ?
N1 Cd1 N9 N10 41.6(3) . . . . ?
O2 Cd1 N9 N10 -54.1(6) . . . . ?
O3 Cd1 N9 N10 120.2(3) . . . . ?
N5 Cd1 N9 N10 -52.3(3) . . . . ?
C15 N9 N10 C16 0.5(5) . . . . ?
Cd1 N9 N10 C16 169.5(3) . . . . ?
C15 N9 N10 Cd2 -164.2(3) . . . . ?
Cd1 N9 N10 Cd2 4.8(5) . . . . ?
N17 Cd2 N10 C16 59.2(4) . . . . ?
O1 Cd2 N10 C16 -31.3(4) . . . . ?
N6 Cd2 N10 C16 -118.3(4) . . . . ?
N2 Cd2 N10 C16 150.7(4) . . . . ?
O7 Cd2 N10 C16 -75.3(4) . . . . ?
O6 Cd2 N10 C16 116.0(4) . . . . ?
N17 Cd2 N10 N9 -138.7(3) . . . . ?
O1 Cd2 N10 N9 130.8(3) . . . . ?
N6 Cd2 N10 N9 43.8(3) . . . . ?
N2 Cd2 N10 N9 -47.2(3) . . . . ?
O7 Cd2 N10 N9 86.8(4) . . . . ?
O6 Cd2 N10 N9 -81.9(5) . . . . ?
N1 Cd1 N13 C22 8.1(11) . . . . ?
O2 Cd1 N13 C22 58.7(4) . . . . ?
N9 Cd1 N13 C22 -139.6(4) . . . . ?
O3 Cd1 N13 C22 -25.0(4) . . . . ?
N5 Cd1 N13 C22 138.4(4) . . . . ?
N1 Cd1 N13 N14 -157.0(8) . . . . ?
O2 Cd1 N13 N14 -106.3(3) . . . . ?
N9 Cd1 N13 N14 55.4(3) . . . . ?
O3 Cd1 N13 N14 169.9(3) . . . . ?
N5 Cd1 N13 N14 -26.6(3) . . . . ?
C22 N13 N14 C23 -0.3(5) . . . . ?
Cd1 N13 N14 C23 167.2(3) . . . . ?
O1 Cd2 N17 C30 -92.4(3) . . . . ?
N6 Cd2 N17 C30 -146.4(11) . . . . ?
N2 Cd2 N17 C30 98.6(3) . . . . ?
N10 Cd2 N17 C30 -175.7(3) . . . . ?
O7 Cd2 N17 C30 -16.5(4) . . . . ?
O6 Cd2 N17 C30 21.4(3) . . . . ?
O1 Cd2 N17 N18 108.2(3) . . . . ?
N6 Cd2 N17 N18 54.3(13) . . . . ?
N2 Cd2 N17 N18 -60.8(3) . . . . ?
N10 Cd2 N17 N18 24.9(3) . . . . ?
O7 Cd2 N17 N18 -175.9(3) . . . . ?
O6 Cd2 N17 N18 -138.0(3) . . . . ?
C30 N17 N18 C29 -0.2(5) . . . . ?
Cd2 N17 N18 C29 163.1(3) . . . . ?
Cd1 O3 N21 O4 9.9(5) . . . . ?
Cd1 O3 N21 O5 -172.2(3) . . . . ?
Cd2 O7 N22 O8 -178.0(3) . . . . ?
Cd2 O7 N22 O6 0.6(4) . . . . ?
Cd2 O6 N22 O8 178.1(3) . . . . ?
Cd2 O6 N22 O7 -0.6(4) . . . . ?
N2 N1 C1 N3 0.3(4) . . . . ?
Cd1 N1 C1 N3 -174.5(2) . . . . ?
C2 N3 C1 N1 -0.4(4) . . . . ?
C3 N3 C1 N1 176.6(3) . . . . ?
N1 N2 C2 N3 -0.3(4) . . . . ?
Cd2 N2 C2 N3 176.1(2) . . . . ?
C1 N3 C2 N2 0.4(4) . . . . ?
C3 N3 C2 N2 -176.7(3) . . . . ?
C7 N4 C3 C4 0.4(6) . . . . ?
C7 N4 C3 N3 179.6(3) . . . . ?
C2 N3 C3 N4 -35.3(5) . . . . ?
C1 N3 C3 N4 148.3(4) . . . . ?
C2 N3 C3 C4 143.8(4) . . . . ?
C1 N3 C3 C4 -32.5(6) . . . . ?
N4 C3 C4 C5 -0.8(7) . . . . ?
N3 C3 C4 C5 -179.9(4) . . . . ?
C3 C4 C5 C6 0.8(7) . . . . ?
C4 C5 C6 C7 -0.5(7) . . . . ?
C3 N4 C7 C6 0.0(6) . . . . ?
C5 C6 C7 N4 0.0(7) . . . . ?
N6 N5 C8 N7 0.2(5) . . . . ?
Cd1 N5 C8 N7 -175.1(3) . . . . ?
C9 N7 C8 N5 0.2(5) . . . . ?
C10 N7 C8 N5 -174.7(4) . . . . ?
N5 N6 C9 N7 0.7(5) . . . . ?
Cd2 N6 C9 N7 -163.1(3) . . . . ?
C8 N7 C9 N6 -0.6(5) . . . . ?
C10 N7 C9 N6 174.1(4) . . . . ?
C14 N8 C10 C11 -2.0(7) . . . . ?
C14 N8 C10 N7 176.2(4) . . . . ?
C8 N7 C10 N8 -1.5(6) . . . . ?
C9 N7 C10 N8 -175.1(4) . . . . ?
C8 N7 C10 C11 176.8(4) . . . . ?
C9 N7 C10 C11 3.2(7) . . . . ?
N8 C10 C11 C12 2.2(7) . . . . ?
N7 C10 C11 C12 -175.8(4) . . . . ?
C10 C11 C12 C13 -0.4(8) . . . . ?
C11 C12 C13 C14 -1.4(8) . . . . ?
C10 N8 C14 C13 -0.1(8) . . . . ?
C12 C13 C14 N8 1.8(8) . . . . ?
N10 N9 C15 N11 -0.1(5) . . . . ?
Cd1 N9 C15 N11 -168.7(3) . . . . ?
C16 N11 C15 N9 -0.3(5) . . . . ?
C17 N11 C15 N9 173.8(4) . . . . ?
N9 N10 C16 N11 -0.6(5) . . . . ?
Cd2 N10 C16 N11 164.6(3) . . . . ?
C15 N11 C16 N10 0.6(5) . . . . ?
C17 N11 C16 N10 -173.4(4) . . . . ?
C21 N12 C17 C18 2.0(6) . . . . ?
C21 N12 C17 N11 -174.3(4) . . . . ?
C15 N11 C17 N12 11.4(6) . . . . ?
C16 N11 C17 N12 -175.9(4) . . . . ?
C15 N11 C17 C18 -165.1(4) . . . . ?
C16 N11 C17 C18 7.6(6) . . . . ?
N12 C17 C18 C19 -0.9(7) . . . . ?
N11 C17 C18 C19 175.2(4) . . . . ?
C17 C18 C19 C20 -1.1(7) . . . . ?
C18 C19 C20 C21 1.8(7) . . . . ?
C17 N12 C21 C20 -1.3(7) . . . . ?
C19 C20 C21 N12 -0.5(7) . . . . ?
N14 N13 C22 N15 0.5(5) . . . . ?
Cd1 N13 C22 N15 -166.1(3) . . . . ?
C23 N15 C22 N13 -0.5(5) . . . . ?
C24 N15 C22 N13 179.5(4) . . . . ?
N13 N14 C23 N15 0.0(6) . . . . ?
C22 N15 C23 N14 0.3(6) . . . . ?
C24 N15 C23 N14 -179.7(4) . . . . ?
C28 N16 C24 C25 0.6(8) . . . . ?
C28 N16 C24 N15 -179.8(5) . . . . ?
C22 N15 C24 N16 16.9(7) . . . . ?
C23 N15 C24 N16 -163.2(5) . . . . ?
C22 N15 C24 C25 -163.5(5) . . . . ?
C23 N15 C24 C25 16.4(7) . . . . ?
N16 C24 C25 C26 2.1(8) . . . . ?
N15 C24 C25 C26 -177.4(4) . . . . ?
C24 C25 C26 C27 -2.7(8) . . . . ?
C25 C26 C27 C28 0.7(9) . . . . ?
C24 N16 C28 C27 -2.9(9) . . . . ?
C26 C27 C28 N16 2.3(10) . . . . ?
N17 N18 C29 N19 -0.1(5) . . . . ?
C30 N19 C29 N18 0.4(5) . . . . ?
C31 N19 C29 N18 -171.0(4) . . . . ?
N18 N17 C30 N19 0.5(5) . . . . ?
Cd2 N17 C30 N19 -160.8(2) . . . . ?
C29 N19 C30 N17 -0.5(5) . . . . ?
C31 N19 C30 N17 171.0(3) . . . . ?
C35 N20 C31 C32 0.1(6) . . . . ?
C35 N20 C31 N19 -178.0(3) . . . . ?
C30 N19 C31 N20 30.4(5) . . . . ?
C29 N19 C31 N20 -160.0(4) . . . . ?
C30 N19 C31 C32 -147.7(4) . . . . ?
C29 N19 C31 C32 21.8(6) . . . . ?
N20 C31 C32 C33 -0.1(7) . . . . ?
N19 C31 C32 C33 177.8(4) . . . . ?
C31 C32 C33 C34 0.2(7) . . . . ?
C32 C33 C34 C35 -0.3(7) . . . . ?
C31 N20 C35 C34 -0.2(7) . . . . ?
C33 C34 C35 N20 0.3(8) . . . . ?
