#------------------------------------------------------------------------------
#$Date: 2021-06-05 20:17:57 +0300 (Sat, 05 Jun 2021) $
#$Revision: 265842 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/81/7128117.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_7128117
loop_
_publ_author_name
'Dhaka, Arun'
'Jeannin, Olivier'
'Aubert, Emmanuel'
'Espinosa, Enrique'
'Fourmigué, Marc'
_publ_section_title
;
 Supramolecular rectangles through directional chalcogen bonding.
;
_journal_issue                   37
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4560
_journal_page_last               4563
_journal_paper_doi               10.1039/d1cc00789k
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C20 H14 Te2, C10 H8 N4'
_chemical_formula_sum            'C30 H22 N4 Te2'
_chemical_formula_weight         693.71
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2020-11-04T15:14:14-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2021-01-28 deposited with the CCDC.	2021-03-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 115.480(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8282(19)
_cell_length_b                   24.258(4)
_cell_length_c                   11.763(2)
_cell_measurement_reflns_used    9667
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      2.68
_cell_measurement_wavelength     0.71073
_cell_volume                     2789.3(8)
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_collection       'Bruker APEX3 (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      294(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.42
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_UB_11      -0.084809
_diffrn_orient_matrix_UB_12      0.015025
_diffrn_orient_matrix_UB_13      0.002472
_diffrn_orient_matrix_UB_21      -0.04536
_diffrn_orient_matrix_UB_22      0.001394
_diffrn_orient_matrix_UB_23      -0.094105
_diffrn_orient_matrix_UB_31      -0.034864
_diffrn_orient_matrix_UB_32      -0.038363
_diffrn_orient_matrix_UB_33      -0.002452
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_unetI/netI     0.0366
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            34265
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.572
_diffrn_reflns_theta_min         2.094
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.116
_exptl_absorpt_correction_T_max  0.938
_exptl_absorpt_correction_T_min  0.558
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1336
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.051
_refine_diff_density_min         -0.945
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.24
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     334
_refine_ls_number_reflns         6342
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.24
_refine_ls_R_factor_all          0.099
_refine_ls_R_factor_gt           0.0776
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+22.4957P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1612
_refine_ls_wR_factor_ref         0.1725
_reflns_Friedel_coverage         0
_reflns_number_gt                4997
_reflns_number_total             6342
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc00789k2.cif
_cod_data_source_block           BTMEA-azopy
_cod_depositor_comments
'Adding full bibliography for 7128116--7128119.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7128117
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6029(8) 0.3283(3) 1.0747(7) 0.0448(17) Uani 1 1 d . . . . .
C2 C 0.4629(8) 0.3475(4) 1.0064(7) 0.0519(19) Uani 1 1 d . . . . .
C3 C 0.3737(10) 0.3451(4) 1.0602(9) 0.070(3) Uani 1 1 d . . . . .
H3 H 0.2845 0.3576 1.0151 0.084 Uiso 1 1 calc R U . . .
C4 C 0.4137(11) 0.3240(5) 1.1821(10) 0.081(3) Uani 1 1 d . . . . .
H4 H 0.3507 0.3233 1.2164 0.097 Uiso 1 1 calc R U . . .
C5 C 0.5395(11) 0.3051(5) 1.2498(9) 0.073(3) Uani 1 1 d . . . . .
H5 H 0.5631 0.2914 1.3303 0.087 Uiso 1 1 calc R U . . .
C6 C 0.6398(9) 0.3057(4) 1.1995(7) 0.0527(19) Uani 1 1 d . . . . .
C7 C 0.7726(9) 0.2867(4) 1.2667(7) 0.057(2) Uani 1 1 d . . . . .
H7 H 0.7979 0.2732 1.3476 0.068 Uiso 1 1 calc R U . . .
C8 C 0.8702(9) 0.2870(3) 1.2182(7) 0.053(2) Uani 1 1 d . . . . .
C9 C 1.0024(9) 0.2662(4) 1.2850(9) 0.066(3) Uani 1 1 d . . . . .
H9 H 1.0289 0.2533 1.3666 0.079 Uiso 1 1 calc R U . . .
C10 C 1.0936(10) 0.2642(4) 1.2331(10) 0.073(3) Uani 1 1 d . . . . .
H10 H 1.1804 0.2495 1.2786 0.087 Uiso 1 1 calc R U . . .
C11 C 1.0553(9) 0.2848(4) 1.1092(9) 0.065(2) Uani 1 1 d . . . . .
H11 H 1.1174 0.2829 1.0741 0.078 Uiso 1 1 calc R U . . .
C12 C 0.9296(8) 0.3074(3) 1.0410(7) 0.0494(18) Uani 1 1 d . . . . .
C13 C 0.8313(8) 0.3094(3) 1.0938(7) 0.0447(16) Uani 1 1 d . . . . .
C14 C 0.6994(8) 0.3297(3) 1.0273(7) 0.0453(17) Uani 1 1 d . . . . .
H14 H 0.6752 0.3448 0.9479 0.054 Uiso 1 1 calc R U . . .
C15 C 0.4219(8) 0.3690(3) 0.8826(8) 0.0495(18) Uani 1 1 d . . . . .
C16 C 0.3887(8) 0.3858(4) 0.7777(9) 0.058(2) Uani 1 1 d . . . . .
C17A C 0.391(4) 0.3431(9) 0.534(2) 0.102(9) Uani 0.65(3) 1 d D . P . .
H17A H 0.4812 0.3484 0.5404 0.152 Uiso 0.65(3) 1 calc R U P . .
H17B H 0.3909 0.3124 0.5861 0.152 Uiso 0.65(3) 1 calc R U P . .
H17C H 0.3285 0.3357 0.4484 0.152 Uiso 0.65(3) 1 calc R U P . .
C17B C 0.294(6) 0.3358(14) 0.527(4) 0.102(9) Uani 0.35(3) 1 d D . P . .
H17D H 0.2626 0.3368 0.4368 0.152 Uiso 0.35(3) 1 calc R U P . .
H17E H 0.3781 0.3152 0.5636 0.152 Uiso 0.35(3) 1 calc R U P . .
H17F H 0.2265 0.3184 0.5466 0.152 Uiso 0.35(3) 1 calc R U P . .
C18 C 0.8942(8) 0.3294(4) 0.9169(8) 0.055(2) Uani 1 1 d . . . . .
C19 C 0.8693(9) 0.3475(5) 0.8171(9) 0.067(2) Uani 1 1 d . . . . .
C20A C 1.020(6) 0.362(4) 0.670(8) 0.101(9) Uani 0.27(7) 1 d D . P . .
H20A H 1.0337 0.3743 0.5981 0.152 Uiso 0.27(7) 1 calc R U P . .
H20B H 1.0863 0.3793 0.7444 0.152 Uiso 0.27(7) 1 calc R U P . .
H20C H 1.0305 0.3228 0.6774 0.152 Uiso 0.27(7) 1 calc R U P . .
C20B C 0.980(3) 0.3396(15) 0.619(3) 0.101(9) Uani 0.73(7) 1 d D . P . .
H20D H 0.9792 0.35 0.5401 0.152 Uiso 0.73(7) 1 calc R U P . .
H20E H 1.0671 0.348 0.6863 0.152 Uiso 0.73(7) 1 calc R U P . .
H20F H 0.9626 0.3007 0.6187 0.152 Uiso 0.73(7) 1 calc R U P . .
C21 C 0.6731(12) 0.4371(4) 0.3161(10) 0.075(3) Uani 1 1 d . . . . .
H21 H 0.5991 0.4261 0.331 0.089 Uiso 1 1 calc R U . . .
C22 C 0.6477(11) 0.4584(4) 0.1994(9) 0.066(2) Uani 1 1 d . . . . .
H22 H 0.5584 0.4613 0.1374 0.079 Uiso 1 1 calc R U . . .
C23 C 0.7534(10) 0.4748(4) 0.1759(8) 0.058(2) Uani 1 1 d . . . . .
C24 C 0.8825(11) 0.4728(5) 0.2700(10) 0.081(3) Uani 1 1 d . . . . .
H24 H 0.957 0.4863 0.259 0.098 Uiso 1 1 calc R U . . .
C25 C 0.8979(12) 0.4496(6) 0.3836(10) 0.090(4) Uani 1 1 d . . . . .
H25 H 0.9861 0.4465 0.4474 0.108 Uiso 1 1 calc R U . . .
C26 C 0.7866(9) 0.5244(4) -0.0918(8) 0.057(2) Uani 1 1 d . . . . .
C27 C 0.8706(9) 0.5625(4) -0.1096(9) 0.065(2) Uani 1 1 d . . . . .
H27 H 0.9453 0.5768 -0.0409 0.077 Uiso 1 1 calc R U . . .
C28 C 0.8433(11) 0.5791(4) -0.2288(10) 0.071(3) Uani 1 1 d . . . . .
H28 H 0.8977 0.6065 -0.2394 0.085 Uiso 1 1 calc R U . . .
C29 C 0.6663(11) 0.5196(5) -0.3134(9) 0.075(3) Uani 1 1 d . . . . .
H29 H 0.5976 0.5038 -0.3845 0.09 Uiso 1 1 calc R U . . .
C30 C 0.6819(11) 0.5012(4) -0.1959(9) 0.071(3) Uani 1 1 d . . . . .
H30 H 0.6244 0.4745 -0.1879 0.085 Uiso 1 1 calc R U . . .
N1 N 0.7963(10) 0.4317(4) 0.4069(8) 0.074(2) Uani 1 1 d . . . . .
N2 N 0.7428(9) 0.5580(4) -0.3302(7) 0.069(2) Uani 1 1 d . . . . .
N3 N 0.7193(8) 0.4936(3) 0.0494(7) 0.065(2) Uani 1 1 d . . . . .
N4 N 0.8191(8) 0.5084(4) 0.0352(8) 0.070(2) Uani 1 1 d . . . . .
Te1 Te 0.32787(6) 0.41518(3) 0.59665(6) 0.0605(2) Uani 1 1 d D . . . .
Te2 Te 0.82544(8) 0.38344(4) 0.64517(7) 0.0833(3) Uani 1 1 d D . . . .
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 0 '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'
Te Te -0.5308 1.6751 '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
C14 C1 C6 119.4(7) . . ?
C14 C1 C2 124.0(7) . . ?
C6 C1 C2 116.6(7) . . ?
C3 C2 C15 121.2(8) . . ?
C3 C2 C1 120.5(8) . . ?
C15 C2 C1 118.3(7) . . ?
C2 C3 C4 121.3(10) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C5 C4 C3 121.6(9) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
C4 C5 C6 120.6(9) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C7 C6 C5 122.8(8) . . ?
C7 C6 C1 117.9(8) . . ?
C5 C6 C1 119.3(8) . . ?
C6 C7 C8 123.0(7) . . ?
C6 C7 H7 118.5 . . ?
C8 C7 H7 118.5 . . ?
C9 C8 C7 122.6(8) . . ?
C9 C8 C13 119.2(9) . . ?
C7 C8 C13 118.2(7) . . ?
C10 C9 C8 121.5(9) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C9 C10 C11 119.8(9) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C12 C11 C10 121.4(9) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C11 C12 C18 120.5(8) . . ?
C11 C12 C13 119.6(8) . . ?
C18 C12 C13 119.8(7) . . ?
C14 C13 C8 119.0(7) . . ?
C14 C13 C12 122.6(7) . . ?
C8 C13 C12 118.3(7) . . ?
C1 C14 C13 122.5(7) . . ?
C1 C14 H14 118.8 . . ?
C13 C14 H14 118.8 . . ?
C16 C15 C2 178.2(9) . . ?
C15 C16 Te1 178.9(8) . . ?
Te1 C17A H17A 109.5 . . ?
Te1 C17A H17B 109.5 . . ?
H17A C17A H17B 109.5 . . ?
Te1 C17A H17C 109.5 . . ?
H17A C17A H17C 109.5 . . ?
H17B C17A H17C 109.5 . . ?
Te1 C17B H17D 109.5 . . ?
Te1 C17B H17E 109.5 . . ?
H17D C17B H17E 109.5 . . ?
Te1 C17B H17F 109.5 . . ?
H17D C17B H17F 109.5 . . ?
H17E C17B H17F 109.5 . . ?
C19 C18 C12 178.1(9) . . ?
C18 C19 Te2 177.1(10) . . ?
Te2 C20A H20A 109.5 . . ?
Te2 C20A H20B 109.5 . . ?
H20A C20A H20B 109.5 . . ?
Te2 C20A H20C 109.5 . . ?
H20A C20A H20C 109.5 . . ?
H20B C20A H20C 109.5 . . ?
Te2 C20B H20D 109.5 . . ?
Te2 C20B H20E 109.5 . . ?
H20D C20B H20E 109.5 . . ?
Te2 C20B H20F 109.5 . . ?
H20D C20B H20F 109.5 . . ?
H20E C20B H20F 109.5 . . ?
N1 C21 C22 123.2(11) . . ?
N1 C21 H21 118.4 . . ?
C22 C21 H21 118.4 . . ?
C23 C22 C21 119.4(10) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C22 C23 C24 119.3(9) . . ?
C22 C23 N3 116.2(9) . . ?
C24 C23 N3 124.5(9) . . ?
C23 C24 C25 116.9(10) . . ?
C23 C24 H24 121.6 . . ?
C25 C24 H24 121.6 . . ?
N1 C25 C24 124.6(10) . . ?
N1 C25 H25 117.7 . . ?
C24 C25 H25 117.7 . . ?
C27 C26 C30 118.9(8) . . ?
C27 C26 N4 117.3(9) . . ?
C30 C26 N4 123.7(9) . . ?
C28 C27 C26 119.4(9) . . ?
C28 C27 H27 120.3 . . ?
C26 C27 H27 120.3 . . ?
N2 C28 C27 122.8(10) . . ?
N2 C28 H28 118.6 . . ?
C27 C28 H28 118.6 . . ?
N2 C29 C30 124.1(9) . . ?
N2 C29 H29 117.9 . . ?
C30 C29 H29 117.9 . . ?
C26 C30 C29 116.8(9) . . ?
C26 C30 H30 121.6 . . ?
C29 C30 H30 121.6 . . ?
C21 N1 C25 116.5(9) . . ?
C29 N2 C28 117.7(8) . . ?
N4 N3 C23 112.7(8) . . ?
N3 N4 C26 112.9(8) . . ?
C17B Te1 C16 90.8(12) . . ?
C17B Te1 C17A 28.3(14) . . ?
C16 Te1 C17A 93.7(6) . . ?
C19 Te2 C20A 88.1(19) . . ?
C19 Te2 C20B 93.9(7) . . ?
C20A Te2 C20B 22(2) . . ?
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
C1 C14 1.380(11) . ?
C1 C6 1.452(10) . ?
C1 C2 1.453(11) . ?
C2 C3 1.365(12) . ?
C2 C15 1.427(11) . ?
C3 C4 1.404(14) . ?
C3 H3 0.93 . ?
C4 C5 1.329(15) . ?
C4 H4 0.93 . ?
C5 C6 1.443(13) . ?
C5 H5 0.93 . ?
C6 C7 1.388(12) . ?
C7 C8 1.401(12) . ?
C7 H7 0.93 . ?
C8 C9 1.397(12) . ?
C8 C13 1.444(10) . ?
C9 C10 1.367(14) . ?
C9 H9 0.93 . ?
C10 C11 1.423(13) . ?
C10 H10 0.93 . ?
C11 C12 1.362(11) . ?
C11 H11 0.93 . ?
C12 C18 1.443(11) . ?
C12 C13 1.445(11) . ?
C13 C14 1.391(11) . ?
C14 H14 0.93 . ?
C15 C16 1.198(11) . ?
C16 Te1 2.067(9) . ?
C17A Te1 2.119(18) . ?
C17A H17A 0.96 . ?
C17A H17B 0.96 . ?
C17A H17C 0.96 . ?
C17B Te1 2.07(3) . ?
C17B H17D 0.96 . ?
C17B H17E 0.96 . ?
C17B H17F 0.96 . ?
C18 C19 1.172(12) . ?
C19 Te2 2.061(9) . ?
C20A Te2 2.07(4) . ?
C20A H20A 0.96 . ?
C20A H20B 0.96 . ?
C20A H20C 0.96 . ?
C20B Te2 2.111(18) . ?
C20B H20D 0.96 . ?
C20B H20E 0.96 . ?
C20B H20F 0.96 . ?
C21 N1 1.309(13) . ?
C21 C22 1.378(13) . ?
C21 H21 0.93 . ?
C22 C23 1.348(13) . ?
C22 H22 0.93 . ?
C23 C24 1.361(13) . ?
C23 N3 1.445(11) . ?
C24 C25 1.392(14) . ?
C24 H24 0.93 . ?
C25 N1 1.316(14) . ?
C25 H25 0.93 . ?
C26 C27 1.375(13) . ?
C26 C30 1.382(13) . ?
C26 N4 1.433(11) . ?
C27 C28 1.365(13) . ?
C27 H27 0.93 . ?
C28 N2 1.324(13) . ?
C28 H28 0.93 . ?
C29 N2 1.316(13) . ?
C29 C30 1.393(13) . ?
C29 H29 0.93 . ?
C30 H30 0.93 . ?
N3 N4 1.216(11) . ?
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
C14 C1 C2 C3 -179.6(8) . . . . ?
C6 C1 C2 C3 1.5(12) . . . . ?
C14 C1 C2 C15 0.1(12) . . . . ?
C6 C1 C2 C15 -178.8(7) . . . . ?
C15 C2 C3 C4 -179.8(9) . . . . ?
C1 C2 C3 C4 -0.1(15) . . . . ?
C2 C3 C4 C5 -0.7(18) . . . . ?
C3 C4 C5 C6 0.1(18) . . . . ?
C4 C5 C6 C7 179.6(10) . . . . ?
C4 C5 C6 C1 1.3(15) . . . . ?
C14 C1 C6 C7 0.6(11) . . . . ?
C2 C1 C6 C7 179.6(7) . . . . ?
C14 C1 C6 C5 179.0(8) . . . . ?
C2 C1 C6 C5 -2.0(11) . . . . ?
C5 C6 C7 C8 179.7(9) . . . . ?
C1 C6 C7 C8 -1.9(13) . . . . ?
C6 C7 C8 C9 -177.9(9) . . . . ?
C6 C7 C8 C13 1.6(13) . . . . ?
C7 C8 C9 C10 176.5(9) . . . . ?
C13 C8 C9 C10 -3.0(14) . . . . ?
C8 C9 C10 C11 1.3(15) . . . . ?
C9 C10 C11 C12 1.0(15) . . . . ?
C10 C11 C12 C18 178.3(9) . . . . ?
C10 C11 C12 C13 -1.5(14) . . . . ?
C9 C8 C13 C14 179.6(8) . . . . ?
C7 C8 C13 C14 0.0(11) . . . . ?
C9 C8 C13 C12 2.4(11) . . . . ?
C7 C8 C13 C12 -177.2(7) . . . . ?
C11 C12 C13 C14 -177.3(8) . . . . ?
C18 C12 C13 C14 2.9(12) . . . . ?
C11 C12 C13 C8 -0.2(11) . . . . ?
C18 C12 C13 C8 180.0(7) . . . . ?
C6 C1 C14 C13 1.0(11) . . . . ?
C2 C1 C14 C13 -177.9(7) . . . . ?
C8 C13 C14 C1 -1.3(11) . . . . ?
C12 C13 C14 C1 175.7(7) . . . . ?
N1 C21 C22 C23 -0.3(15) . . . . ?
C21 C22 C23 C24 -3.5(15) . . . . ?
C21 C22 C23 N3 176.6(8) . . . . ?
C22 C23 C24 C25 4.8(16) . . . . ?
N3 C23 C24 C25 -175.2(10) . . . . ?
C23 C24 C25 N1 -3(2) . . . . ?
C30 C26 C27 C28 4.2(14) . . . . ?
N4 C26 C27 C28 -179.7(9) . . . . ?
C26 C27 C28 N2 -3.6(15) . . . . ?
C27 C26 C30 C29 -1.8(14) . . . . ?
N4 C26 C30 C29 -177.7(9) . . . . ?
N2 C29 C30 C26 -1.4(17) . . . . ?
C22 C21 N1 C25 2.4(16) . . . . ?
C24 C25 N1 C21 -0.8(19) . . . . ?
C30 C29 N2 C28 2.1(17) . . . . ?
C27 C28 N2 C29 0.5(15) . . . . ?
C22 C23 N3 N4 179.1(9) . . . . ?
C24 C23 N3 N4 -0.8(14) . . . . ?
C23 N3 N4 C26 176.9(8) . . . . ?
C27 C26 N4 N3 152.5(9) . . . . ?
C30 C26 N4 N3 -31.6(13) . . . . ?
