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#$Date: 2022-06-02 01:00:08 +0300 (Thu, 02 Jun 2022) $
#$Revision: 275722 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/01/7130179.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_7130179
loop_
_publ_author_name
'Batabyal, Monojit'
'Jain, Saket'
'Upadhyay, Aditya'
'Raju, Saravanan'
'Kumar, Sangit'
_publ_section_title
;
 A base-free copper-assisted synthesis of C2-symmetric spirotelluranes and
 biaryls based on divergent stoichiometry of Na2Te
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC02181A
_journal_year                    2022
_chemical_formula_moiety         'C32 H20 N4 O2 Te, C H2 Cl2, H2 O'
_chemical_formula_sum            'C33 H24 Cl2 N4 O3 Te'
_chemical_formula_weight         723.06
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-05-16 deposited with the CCDC.	2022-05-23 downloaded from the CCDC.
;
_cell_angle_alpha                81.846(3)
_cell_angle_beta                 70.846(2)
_cell_angle_gamma                81.139(2)
_cell_formula_units_Z            2
_cell_length_a                   11.0974(8)
_cell_length_b                   11.6191(7)
_cell_length_c                   11.6886(6)
_cell_measurement_reflns_used    9922
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      29.99
_cell_measurement_theta_min      2.49
_cell_volume                     1399.98(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0573
_diffrn_reflns_av_unetI/netI     0.0418
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            37477
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.708
_diffrn_reflns_theta_min         2.443
_exptl_absorpt_coefficient_mu    1.298
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_description       rectangle
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.124
_exptl_crystal_size_mid          0.072
_exptl_crystal_size_min          0.065
_refine_diff_density_max         0.629
_refine_diff_density_min         -0.839
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     391
_refine_ls_number_reflns         7163
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0340
_refine_ls_R_factor_gt           0.0283
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0220P)²+1.3560P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0640
_refine_ls_wR_factor_ref         0.0676
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6440
_reflns_number_total             7163
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc02181a2.cif
_cod_data_source_block           1n
_cod_database_code               7130179
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_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_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
Te1 Te 0.45987(2) 0.35323(2) 0.40137(2) 0.01504(5) Uani 1 1 d . . . . .
O1 O 0.24045(17) 0.68386(14) 0.48039(15) 0.0259(4) Uani 1 1 d . . . . .
O1S O 0.3216(2) -0.0104(2) 0.0695(2) 0.0482(5) Uani 1 1 d G . . . .
H1SC H 0.376882 0.017912 0.092790 0.072 Uiso 1 1 d G U . . .
H1SD H 0.367155 -0.041057 0.002659 0.072 Uiso 1 1 d G U . . .
O2 O 0.48871(17) 0.11257(14) 0.14600(15) 0.0254(4) Uani 1 1 d . . . . .
N1 N 0.33442(18) 0.49436(15) 0.51011(16) 0.0171(4) Uani 1 1 d . . . . .
N2 N 0.33378(18) 0.27271(16) 0.62232(17) 0.0186(4) Uani 1 1 d . . . . .
N3 N 0.54439(18) 0.23557(16) 0.25386(16) 0.0170(4) Uani 1 1 d . . . . .
N4 N 0.62845(19) 0.11615(16) 0.43943(17) 0.0215(4) Uani 1 1 d . . . . .
C1 C 0.4729(2) 0.49996(18) 0.26812(19) 0.0169(4) Uani 1 1 d . . . . .
C2 C 0.5475(2) 0.5004(2) 0.1469(2) 0.0205(4) Uani 1 1 d . . . . .
H2 H 0.596654 0.430783 0.115681 0.025 Uiso 1 1 calc R U . . .
C3 C 0.5490(2) 0.6047(2) 0.0718(2) 0.0246(5) Uani 1 1 d . . . . .
H3 H 0.599820 0.606213 -0.011417 0.030 Uiso 1 1 calc R U . . .
C4 C 0.4776(2) 0.7061(2) 0.1167(2) 0.0260(5) Uani 1 1 d . . . . .
H4 H 0.480451 0.776948 0.064582 0.031 Uiso 1 1 calc R U . . .
C5 C 0.4017(2) 0.7051(2) 0.2374(2) 0.0227(5) Uani 1 1 d . . . . .
H5 H 0.351370 0.774515 0.267868 0.027 Uiso 1 1 calc R U . . .
C6 C 0.3999(2) 0.60125(19) 0.3138(2) 0.0178(4) Uani 1 1 d . . . . .
C7 C 0.3168(2) 0.59846(19) 0.4435(2) 0.0184(4) Uani 1 1 d . . . . .
C8 C 0.2701(2) 0.47775(19) 0.63665(19) 0.0167(4) Uani 1 1 d . . . . .
C9 C 0.2075(2) 0.56657(19) 0.7097(2) 0.0193(4) Uani 1 1 d . . . . .
H9 H 0.204004 0.645298 0.674215 0.023 Uiso 1 1 calc R U . . .
C10 C 0.1488(2) 0.5421(2) 0.8361(2) 0.0235(5) Uani 1 1 d . . . . .
H10 H 0.105837 0.604864 0.883684 0.028 Uiso 1 1 calc R U . . .
C11 C 0.1523(2) 0.4305(2) 0.8916(2) 0.0242(5) Uani 1 1 d . . . . .
H11 H 0.112134 0.415946 0.976809 0.029 Uiso 1 1 calc R U . . .
C12 C 0.2160(2) 0.3372(2) 0.8215(2) 0.0198(4) Uani 1 1 d . . . . .
C13 C 0.2738(2) 0.36051(19) 0.6937(2) 0.0172(4) Uani 1 1 d . . . . .
C14 C 0.3410(2) 0.1640(2) 0.6725(2) 0.0218(5) Uani 1 1 d . . . . .
H14 H 0.382804 0.103532 0.621352 0.026 Uiso 1 1 calc R U . . .
C15 C 0.2897(2) 0.1333(2) 0.7983(2) 0.0254(5) Uani 1 1 d . . . . .
H15 H 0.298123 0.054124 0.831450 0.030 Uiso 1 1 calc R U . . .
C16 C 0.2278(2) 0.2194(2) 0.8714(2) 0.0238(5) Uani 1 1 d . . . . .
H16 H 0.192328 0.200262 0.956611 0.029 Uiso 1 1 calc R U . . .
C17 C 0.2975(2) 0.30908(18) 0.36808(19) 0.0166(4) Uani 1 1 d . . . . .
C18 C 0.1718(2) 0.3480(2) 0.4305(2) 0.0213(4) Uani 1 1 d . . . . .
H18 H 0.153191 0.392419 0.497803 0.026 Uiso 1 1 calc R U . . .
C19 C 0.0732(2) 0.3215(2) 0.3937(2) 0.0259(5) Uani 1 1 d . . . . .
H19 H -0.013461 0.346613 0.436897 0.031 Uiso 1 1 calc R U . . .
C20 C 0.1007(2) 0.2586(2) 0.2943(2) 0.0248(5) Uani 1 1 d . . . . .
H20 H 0.032988 0.243252 0.267738 0.030 Uiso 1 1 calc R U . . .
C21 C 0.2266(2) 0.2179(2) 0.2333(2) 0.0223(5) Uani 1 1 d . . . . .
H21 H 0.245017 0.173886 0.165800 0.027 Uiso 1 1 calc R U . . .
C22 C 0.3260(2) 0.24182(18) 0.27121(19) 0.0174(4) Uani 1 1 d . . . . .
C23 C 0.4619(2) 0.19084(18) 0.21547(19) 0.0177(4) Uani 1 1 d . . . . .
C24 C 0.6737(2) 0.18310(18) 0.2269(2) 0.0187(4) Uani 1 1 d . . . . .
C25 C 0.7576(2) 0.1882(2) 0.1106(2) 0.0231(5) Uani 1 1 d . . . . .
H25 H 0.729138 0.227382 0.045480 0.028 Uiso 1 1 calc R U . . .
C26 C 0.8863(2) 0.1357(2) 0.0865(2) 0.0266(5) Uani 1 1 d . . . . .
H26 H 0.942834 0.139114 0.005311 0.032 Uiso 1 1 calc R U . . .
C27 C 0.9296(2) 0.0803(2) 0.1788(2) 0.0269(5) Uani 1 1 d . . . . .
H27 H 1.016369 0.046175 0.161817 0.032 Uiso 1 1 calc R U . . .
C28 C 0.8458(2) 0.07347(19) 0.3000(2) 0.0237(5) Uani 1 1 d . . . . .
C29 C 0.7157(2) 0.12385(18) 0.3252(2) 0.0188(4) Uani 1 1 d . . . . .
C30 C 0.6695(3) 0.0612(2) 0.5286(2) 0.0272(5) Uani 1 1 d . . . . .
H30 H 0.609699 0.055705 0.608306 0.033 Uiso 1 1 calc R U . . .
C31 C 0.7966(3) 0.0100(2) 0.5129(3) 0.0323(6) Uani 1 1 d . . . . .
H31 H 0.821002 -0.028236 0.580731 0.039 Uiso 1 1 calc R U . . .
C32 C 0.8840(3) 0.0158(2) 0.4000(3) 0.0297(5) Uani 1 1 d . . . . .
H32 H 0.970164 -0.018426 0.388037 0.036 Uiso 1 1 calc R U . . .
Cl1S Cl 0.04377(9) 0.76616(7) 0.24990(8) 0.0523(2) Uani 1 1 d . . . . .
Cl2S Cl 0.18796(7) 0.55811(6) 0.13682(6) 0.03887(16) Uani 1 1 d . . . . .
C1S C 0.0825(3) 0.6147(2) 0.2689(2) 0.0329(6) Uani 1 1 d . . . . .
H1SA H 0.002618 0.576675 0.294371 0.039 Uiso 1 1 calc R U . . .
H1SB H 0.122070 0.595390 0.334898 0.039 Uiso 1 1 calc R U . . .
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'
Cl Cl 0.1484 0.1585 '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'
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
C17 Te1 C1 91.18(8) . . ?
C17 Te1 N3 76.59(8) . . ?
C1 Te1 N3 89.64(7) . . ?
C17 Te1 N1 89.14(8) . . ?
C1 Te1 N1 77.80(7) . . ?
N3 Te1 N1 160.85(7) . . ?
H1SC O1S H1SD 104.5 . . ?
C7 N1 C8 121.49(18) . . ?
C7 N1 Te1 114.61(14) . . ?
C8 N1 Te1 123.78(13) . . ?
C14 N2 C13 119.48(19) . . ?
C23 N3 C24 119.59(18) . . ?
C23 N3 Te1 116.71(14) . . ?
C24 N3 Te1 121.18(14) . . ?
C30 N4 C29 117.4(2) . . ?
C2 C1 C6 120.8(2) . . ?
C2 C1 Te1 125.64(16) . . ?
C6 C1 Te1 113.54(15) . . ?
C1 C2 C3 118.8(2) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C4 C3 C2 120.8(2) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C3 C4 C5 120.3(2) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C4 C5 C6 119.5(2) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C1 C6 C5 119.8(2) . . ?
C1 C6 C7 120.17(19) . . ?
C5 C6 C7 120.0(2) . . ?
O1 C7 N1 126.3(2) . . ?
O1 C7 C6 120.3(2) . . ?
N1 C7 C6 113.33(18) . . ?
C9 C8 N1 125.0(2) . . ?
C9 C8 C13 117.7(2) . . ?
N1 C8 C13 117.32(18) . . ?
C8 C9 C10 121.1(2) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 H9 119.4 . . ?
C11 C10 C9 121.7(2) . . ?
C11 C10 H10 119.2 . . ?
C9 C10 H10 119.2 . . ?
C10 C11 C12 119.4(2) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C11 C12 C16 123.4(2) . . ?
C11 C12 C13 119.4(2) . . ?
C16 C12 C13 117.2(2) . . ?
N2 C13 C12 121.31(19) . . ?
N2 C13 C8 118.01(19) . . ?
C12 C13 C8 120.68(19) . . ?
N2 C14 C15 123.0(2) . . ?
N2 C14 H14 118.5 . . ?
C15 C14 H14 118.5 . . ?
C16 C15 C14 118.7(2) . . ?
C16 C15 H15 120.7 . . ?
C14 C15 H15 120.7 . . ?
C15 C16 C12 120.4(2) . . ?
C15 C16 H16 119.8 . . ?
C12 C16 H16 119.8 . . ?
C18 C17 C22 121.0(2) . . ?
C18 C17 Te1 124.37(16) . . ?
C22 C17 Te1 114.53(16) . . ?
C17 C18 C19 119.2(2) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
C20 C19 C18 120.3(2) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C21 120.3(2) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C20 C21 C22 119.8(2) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C17 C22 C21 119.3(2) . . ?
C17 C22 C23 118.9(2) . . ?
C21 C22 C23 121.7(2) . . ?
O2 C23 N3 126.4(2) . . ?
O2 C23 C22 121.3(2) . . ?
N3 C23 C22 112.25(18) . . ?
C25 C24 N3 122.0(2) . . ?
C25 C24 C29 119.9(2) . . ?
N3 C24 C29 118.10(19) . . ?
C24 C25 C26 120.8(2) . . ?
C24 C25 H25 119.6 . . ?
C26 C25 H25 119.6 . . ?
C27 C26 C25 120.6(2) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C26 C27 C28 120.2(2) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C27 C28 C32 123.1(2) . . ?
C27 C28 C29 119.8(2) . . ?
C32 C28 C29 117.0(2) . . ?
N4 C29 C28 122.8(2) . . ?
N4 C29 C24 118.5(2) . . ?
C28 C29 C24 118.7(2) . . ?
N4 C30 C31 123.9(2) . . ?
N4 C30 H30 118.0 . . ?
C31 C30 H30 118.0 . . ?
C32 C31 C30 119.4(2) . . ?
C32 C31 H31 120.3 . . ?
C30 C31 H31 120.3 . . ?
C31 C32 C28 119.5(2) . . ?
C31 C32 H32 120.3 . . ?
C28 C32 H32 120.3 . . ?
Cl1S C1S Cl2S 112.92(15) . . ?
Cl1S C1S H1SA 109.0 . . ?
Cl2S C1S H1SA 109.0 . . ?
Cl1S C1S H1SB 109.0 . . ?
Cl2S C1S H1SB 109.0 . . ?
H1SA C1S H1SB 107.8 . . ?
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
Te1 C17 2.112(2) . ?
Te1 C1 2.128(2) . ?
Te1 N3 2.2213(18) . ?
Te1 N1 2.2292(18) . ?
O1 C7 1.229(3) . ?
O1S H1SC 0.8699 . ?
O1S H1SD 0.8699 . ?
O2 C23 1.242(3) . ?
N1 C7 1.367(3) . ?
N1 C8 1.415(3) . ?
N2 C14 1.318(3) . ?
N2 C13 1.360(3) . ?
N3 C23 1.339(3) . ?
N3 C24 1.420(3) . ?
N4 C30 1.318(3) . ?
N4 C29 1.368(3) . ?
C1 C2 1.387(3) . ?
C1 C6 1.388(3) . ?
C2 C3 1.391(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.381(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.385(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.394(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.493(3) . ?
C8 C9 1.384(3) . ?
C8 C13 1.430(3) . ?
C9 C10 1.412(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.367(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.409(3) . ?
C11 H11 0.9500 . ?
C12 C16 1.414(3) . ?
C12 C13 1.423(3) . ?
C14 C15 1.406(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.359(3) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.384(3) . ?
C17 C22 1.390(3) . ?
C18 C19 1.389(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.385(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.386(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.393(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.496(3) . ?
C24 C25 1.372(3) . ?
C24 C29 1.429(3) . ?
C25 C26 1.416(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.363(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.415(4) . ?
C27 H27 0.9500 . ?
C28 C32 1.418(3) . ?
C28 C29 1.422(3) . ?
C30 C31 1.407(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.358(4) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
Cl1S C1S 1.746(3) . ?
Cl2S C1S 1.747(3) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C9 H9 O1 0.95 2.16 2.766(3) 120.5 . yes
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
C6 C1 C2 C3 0.7(3) . . . . ?
Te1 C1 C2 C3 -177.88(17) . . . . ?
C1 C2 C3 C4 -0.1(4) . . . . ?
C2 C3 C4 C5 -0.8(4) . . . . ?
C3 C4 C5 C6 1.2(4) . . . . ?
C2 C1 C6 C5 -0.3(3) . . . . ?
Te1 C1 C6 C5 178.39(17) . . . . ?
C2 C1 C6 C7 178.0(2) . . . . ?
Te1 C1 C6 C7 -3.3(3) . . . . ?
C4 C5 C6 C1 -0.6(4) . . . . ?
C4 C5 C6 C7 -178.9(2) . . . . ?
C8 N1 C7 O1 -5.2(4) . . . . ?
Te1 N1 C7 O1 170.79(19) . . . . ?
C8 N1 C7 C6 175.91(19) . . . . ?
Te1 N1 C7 C6 -8.1(2) . . . . ?
C1 C6 C7 O1 -171.1(2) . . . . ?
C5 C6 C7 O1 7.2(3) . . . . ?
C1 C6 C7 N1 7.8(3) . . . . ?
C5 C6 C7 N1 -173.9(2) . . . . ?
C7 N1 C8 C9 -14.5(3) . . . . ?
Te1 N1 C8 C9 169.89(17) . . . . ?
C7 N1 C8 C13 167.6(2) . . . . ?
Te1 N1 C8 C13 -8.0(3) . . . . ?
N1 C8 C9 C10 -178.2(2) . . . . ?
C13 C8 C9 C10 -0.3(3) . . . . ?
C8 C9 C10 C11 0.6(4) . . . . ?
C9 C10 C11 C12 0.0(4) . . . . ?
C10 C11 C12 C16 178.1(2) . . . . ?
C10 C11 C12 C13 -1.1(3) . . . . ?
C14 N2 C13 C12 -1.4(3) . . . . ?
C14 N2 C13 C8 178.7(2) . . . . ?
C11 C12 C13 N2 -178.6(2) . . . . ?
C16 C12 C13 N2 2.2(3) . . . . ?
C11 C12 C13 C8 1.4(3) . . . . ?
C16 C12 C13 C8 -177.8(2) . . . . ?
C9 C8 C13 N2 179.3(2) . . . . ?
N1 C8 C13 N2 -2.7(3) . . . . ?
C9 C8 C13 C12 -0.7(3) . . . . ?
N1 C8 C13 C12 177.4(2) . . . . ?
C13 N2 C14 C15 -0.4(4) . . . . ?
N2 C14 C15 C16 1.2(4) . . . . ?
C14 C15 C16 C12 -0.2(4) . . . . ?
C11 C12 C16 C15 179.4(2) . . . . ?
C13 C12 C16 C15 -1.4(3) . . . . ?
C22 C17 C18 C19 -1.5(3) . . . . ?
Te1 C17 C18 C19 174.47(17) . . . . ?
C17 C18 C19 C20 -1.2(4) . . . . ?
C18 C19 C20 C21 2.3(4) . . . . ?
C19 C20 C21 C22 -0.9(3) . . . . ?
C18 C17 C22 C21 2.9(3) . . . . ?
Te1 C17 C22 C21 -173.41(16) . . . . ?
C18 C17 C22 C23 -173.35(19) . . . . ?
Te1 C17 C22 C23 10.3(2) . . . . ?
C20 C21 C22 C17 -1.7(3) . . . . ?
C20 C21 C22 C23 174.4(2) . . . . ?
C24 N3 C23 O2 -7.9(3) . . . . ?
Te1 N3 C23 O2 -170.12(17) . . . . ?
C24 N3 C23 C22 169.17(18) . . . . ?
Te1 N3 C23 C22 6.9(2) . . . . ?
C17 C22 C23 O2 165.7(2) . . . . ?
C21 C22 C23 O2 -10.4(3) . . . . ?
C17 C22 C23 N3 -11.5(3) . . . . ?
C21 C22 C23 N3 172.4(2) . . . . ?
C23 N3 C24 C25 68.7(3) . . . . ?
Te1 N3 C24 C25 -129.84(19) . . . . ?
C23 N3 C24 C29 -111.4(2) . . . . ?
Te1 N3 C24 C29 50.0(2) . . . . ?
N3 C24 C25 C26 179.6(2) . . . . ?
C29 C24 C25 C26 -0.3(3) . . . . ?
C24 C25 C26 C27 -0.8(4) . . . . ?
C25 C26 C27 C28 0.7(4) . . . . ?
C26 C27 C28 C32 179.1(2) . . . . ?
C26 C27 C28 C29 0.5(3) . . . . ?
C30 N4 C29 C28 1.2(3) . . . . ?
C30 N4 C29 C24 -180.0(2) . . . . ?
C27 C28 C29 N4 177.2(2) . . . . ?
C32 C28 C29 N4 -1.5(3) . . . . ?
C27 C28 C29 C24 -1.5(3) . . . . ?
C32 C28 C29 C24 179.8(2) . . . . ?
C25 C24 C29 N4 -177.4(2) . . . . ?
N3 C24 C29 N4 2.7(3) . . . . ?
C25 C24 C29 C28 1.4(3) . . . . ?
N3 C24 C29 C28 -178.43(19) . . . . ?
C29 N4 C30 C31 -0.3(4) . . . . ?
N4 C30 C31 C32 -0.4(4) . . . . ?
C30 C31 C32 C28 0.1(4) . . . . ?
C27 C28 C32 C31 -177.9(2) . . . . ?
C29 C28 C32 C31 0.8(4) . . . . ?
