#------------------------------------------------------------------------------
#$Date: 2020-11-06 14:18:41 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/55/7705574.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_7705574
loop_
_publ_author_name
'Banerjee, Samya'
'Dutta, Sayan'
'Sarkar, Samir Kumar'
'Graw, Nico'
'Herbst-Irmer, Regine'
'Koley, Debasis'
'Stalke, Dietmar'
'Roesky, Herbert W.'
_publ_section_title
;
 Amidinate based indium(III) monohalides and β-diketiminate stabilized
 In(II)-In(II) bond: synthesis, crystal structure, and computational
 study.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14231
_journal_page_last               14236
_journal_paper_doi               10.1039/d0dt03161e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C30 H46 Br In N4'
_chemical_formula_sum            'C30 H46 Br In N4'
_chemical_formula_weight         657.44
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-09-04 deposited with the CCDC.	2020-10-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.56(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.025(2)
_cell_length_b                   11.767(2)
_cell_length_c                   26.548(3)
_cell_measurement_reflns_used    9989
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      19.3835
_cell_measurement_theta_min      2.194
_cell_volume                     3088.2(9)
_computing_cell_refinement       'SAINT V8.38A'
_computing_data_collection       'APEX2 v2012.2'
_computing_data_reduction        'SAINT V8.38A'
_computing_molecular_graphics    'XP Version 5.1'
_computing_publication_material  'XP Version 5.1'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Smart APEX II Quazar'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56086
_diffrn_reflns_av_R_equivalents  0.0662
_diffrn_reflns_av_unetI/netI     0.0389
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            58248
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        19.665
_diffrn_reflns_theta_max         20.545
_diffrn_reflns_theta_min         1.867
_diffrn_source                   'INCOATEC Microsource'
_exptl_absorpt_coefficient_mu    1.116
_exptl_absorpt_correction_T_max  0.7445
_exptl_absorpt_correction_T_min  0.7074
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_description       block
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.173
_exptl_crystal_size_mid          0.149
_exptl_crystal_size_min          0.094
_refine_diff_density_max         0.393
_refine_diff_density_min         -0.355
_refine_diff_density_rms         0.077
_refine_ls_extinction_coef       0.00069(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         6337
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0257
_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)+(0.0183P)²+0.9468P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0485
_refine_ls_wR_factor_ref         0.0517
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5173
_reflns_number_total             6337
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03161e2.cif
_cod_data_source_block           sad_a
_cod_depositor_comments
'Adding full bibliography for 7705574--7705577.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7705574
_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.
;
_shelx_estimated_absorpt_t_min   0.830
_shelx_estimated_absorpt_t_max   0.902
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
In1 In 0.82066(2) 0.32372(2) 0.39223(2) 0.01280(5) Uani 1 1 d . . . . .
Br1 Br 1.03087(2) 0.22861(2) 0.44092(2) 0.02177(7) Uani 1 1 d . . . . .
N1 N 0.67386(18) 0.21362(15) 0.42532(7) 0.0139(4) Uani 1 1 d . . . . .
C1 C 0.6174(2) 0.17786(18) 0.37958(9) 0.0140(5) Uani 1 1 d . . . . .
N2 N 0.67792(18) 0.21890(15) 0.34188(7) 0.0141(4) Uani 1 1 d . . . . .
C2 C 0.4963(2) 0.10158(18) 0.37033(8) 0.0143(5) Uani 1 1 d . . . . .
N3 N 0.75480(18) 0.49939(15) 0.39899(7) 0.0132(4) Uani 1 1 d . . . . .
C3 C 0.3677(2) 0.1482(2) 0.36567(9) 0.0195(5) Uani 1 1 d . . . . .
H3 H 0.357468 0.228174 0.368138 0.023 Uiso 1 1 calc R U . . .
N4 N 0.91872(18) 0.46467(15) 0.35423(7) 0.0161(4) Uani 1 1 d . . . . .
C4 C 0.2544(2) 0.0796(2) 0.35748(9) 0.0213(6) Uani 1 1 d . . . . .
H4 H 0.166760 0.112444 0.353948 0.026 Uiso 1 1 calc R U . . .
C5 C 0.2686(2) -0.0371(2) 0.35443(9) 0.0217(6) Uani 1 1 d . . . . .
H5 H 0.190865 -0.084611 0.349009 0.026 Uiso 1 1 calc R U . . .
C6 C 0.3967(2) -0.0844(2) 0.35931(9) 0.0188(5) Uani 1 1 d . . . . .
H6 H 0.406692 -0.164503 0.357330 0.023 Uiso 1 1 calc R U . . .
C7 C 0.5103(2) -0.01540(19) 0.36707(8) 0.0156(5) Uani 1 1 d . . . . .
H7 H 0.597853 -0.048223 0.370160 0.019 Uiso 1 1 calc R U . . .
C8 C 0.6613(2) 0.16460(18) 0.47590(8) 0.0157(5) Uani 1 1 d . . . . .
C9 C 0.7393(2) 0.05238(19) 0.48347(9) 0.0194(5) Uani 1 1 d . . . . .
H9A H 0.741824 0.025724 0.518593 0.029 Uiso 1 1 calc R U . . .
H9B H 0.831790 0.064070 0.477091 0.029 Uiso 1 1 calc R U . . .
H9C H 0.694047 -0.004521 0.459583 0.029 Uiso 1 1 calc R U . . .
C10 C 0.5150(2) 0.14812(19) 0.48426(9) 0.0190(5) Uani 1 1 d . . . . .
H10A H 0.513783 0.133013 0.520479 0.028 Uiso 1 1 calc R U . . .
H10B H 0.474748 0.083705 0.463765 0.028 Uiso 1 1 calc R U . . .
H10C H 0.462848 0.217110 0.473873 0.028 Uiso 1 1 calc R U . . .
C11 C 0.7272(2) 0.25054(19) 0.51550(9) 0.0210(6) Uani 1 1 d . . . . .
H11A H 0.731526 0.218573 0.549824 0.031 Uiso 1 1 calc R U . . .
H11B H 0.673371 0.320481 0.512643 0.031 Uiso 1 1 calc R U . . .
H11C H 0.818850 0.267696 0.509449 0.031 Uiso 1 1 calc R U . . .
C12 C 0.6253(2) 0.22381(19) 0.28639(9) 0.0173(5) Uani 1 1 d . . . . .
C13 C 0.5137(2) 0.3137(2) 0.27486(10) 0.0253(6) Uani 1 1 d . . . . .
H13A H 0.546714 0.386235 0.290252 0.038 Uiso 1 1 calc R U . . .
H13B H 0.434318 0.289281 0.289148 0.038 Uiso 1 1 calc R U . . .
H13C H 0.488820 0.322982 0.237805 0.038 Uiso 1 1 calc R U . . .
C14 C 0.5743(3) 0.1095(2) 0.26355(9) 0.0264(6) Uani 1 1 d . . . . .
H14A H 0.488254 0.090769 0.274467 0.040 Uiso 1 1 calc R U . . .
H14B H 0.641029 0.050321 0.275335 0.040 Uiso 1 1 calc R U . . .
H14C H 0.561033 0.114093 0.226188 0.040 Uiso 1 1 calc R U . . .
C15 C 0.7460(2) 0.2608(2) 0.26214(9) 0.0247(6) Uani 1 1 d . . . . .
H15A H 0.821143 0.207722 0.272026 0.037 Uiso 1 1 calc R U . . .
H15B H 0.774112 0.337392 0.273950 0.037 Uiso 1 1 calc R U . . .
H15C H 0.720391 0.261062 0.224876 0.037 Uiso 1 1 calc R U . . .
C16 C 0.8454(2) 0.54315(18) 0.37304(8) 0.0132(5) Uani 1 1 d . . . . .
C17 C 0.8622(2) 0.66900(19) 0.36745(9) 0.0149(5) Uani 1 1 d . . . . .
C18 C 0.8100(2) 0.7249(2) 0.32235(9) 0.0169(5) Uani 1 1 d . . . . .
H18 H 0.766169 0.682909 0.293762 0.020 Uiso 1 1 calc R U . . .
C19 C 0.8220(2) 0.8422(2) 0.31907(10) 0.0218(6) Uani 1 1 d . . . . .
H19 H 0.786362 0.880236 0.288215 0.026 Uiso 1 1 calc R U . . .
C20 C 0.8857(2) 0.9036(2) 0.36053(10) 0.0252(6) Uani 1 1 d . . . . .
H20 H 0.893746 0.983791 0.358138 0.030 Uiso 1 1 calc R U . . .
C21 C 0.9376(2) 0.8486(2) 0.40539(10) 0.0233(6) Uani 1 1 d . . . . .
H21 H 0.981425 0.890888 0.433894 0.028 Uiso 1 1 calc R U . . .
C22 C 0.9257(2) 0.73148(19) 0.40887(9) 0.0186(5) Uani 1 1 d . . . . .
H22 H 0.961402 0.693839 0.439848 0.022 Uiso 1 1 calc R U . . .
C23 C 0.6475(2) 0.55595(18) 0.42232(9) 0.0156(5) Uani 1 1 d . . . . .
C24 C 0.5297(2) 0.4721(2) 0.41695(10) 0.0228(6) Uani 1 1 d . . . . .
H24A H 0.456490 0.504186 0.432806 0.034 Uiso 1 1 calc R U . . .
H24B H 0.560303 0.400541 0.433933 0.034 Uiso 1 1 calc R U . . .
H24C H 0.496561 0.457736 0.380663 0.034 Uiso 1 1 calc R U . . .
C25 C 0.7012(3) 0.5781(2) 0.47862(9) 0.0241(6) Uani 1 1 d . . . . .
H25A H 0.736874 0.507309 0.495027 0.036 Uiso 1 1 calc R U . . .
H25B H 0.627668 0.606381 0.495374 0.036 Uiso 1 1 calc R U . . .
H25C H 0.773540 0.634975 0.481662 0.036 Uiso 1 1 calc R U . . .
C26 C 0.5913(2) 0.66677(19) 0.39676(10) 0.0219(6) Uani 1 1 d . . . . .
H26A H 0.659838 0.726636 0.403685 0.033 Uiso 1 1 calc R U . . .
H26B H 0.510293 0.689406 0.410446 0.033 Uiso 1 1 calc R U . . .
H26C H 0.567794 0.655074 0.359796 0.033 Uiso 1 1 calc R U . . .
C27 C 1.0395(2) 0.4833(2) 0.32935(9) 0.0206(6) Uani 1 1 d . . . . .
C28 C 1.0983(3) 0.3658(2) 0.32302(11) 0.0332(7) Uani 1 1 d . . . . .
H28A H 1.123351 0.330150 0.356618 0.050 Uiso 1 1 calc R U . . .
H28B H 1.178805 0.372904 0.306727 0.050 Uiso 1 1 calc R U . . .
H28C H 1.030723 0.318776 0.301630 0.050 Uiso 1 1 calc R U . . .
C29 C 1.0019(3) 0.5358(2) 0.27642(10) 0.0301(6) Uani 1 1 d . . . . .
H29A H 0.974113 0.614930 0.279714 0.045 Uiso 1 1 calc R U . . .
H29B H 0.926992 0.492898 0.256752 0.045 Uiso 1 1 calc R U . . .
H29C H 1.080223 0.533267 0.258758 0.045 Uiso 1 1 calc R U . . .
C30 C 1.1473(3) 0.5549(3) 0.36211(12) 0.0455(8) Uani 1 1 d . . . . .
H30A H 1.166677 0.522966 0.396636 0.068 Uiso 1 1 calc R U . . .
H30B H 1.114439 0.633066 0.363797 0.068 Uiso 1 1 calc R U . . .
H30C H 1.230012 0.554856 0.346963 0.068 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 0.0015 0.0009 '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 0.0030 0.0019 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br 0.1811 1.6452 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -1.2843 0.8542 '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
N2 In1 N3 114.22(7) . . ?
N2 In1 N1 60.38(7) . . ?
N3 In1 N1 106.67(7) . . ?
N2 In1 N4 115.77(7) . . ?
N3 In1 N4 60.02(7) . . ?
N1 In1 N4 164.53(6) . . ?
N2 In1 Br1 117.94(5) . . ?
N3 In1 Br1 127.65(5) . . ?
N1 In1 Br1 95.10(5) . . ?
N4 In1 Br1 99.53(5) . . ?
N2 In1 C1 30.45(7) . . ?
N3 In1 C1 112.80(7) . . ?
N1 In1 C1 29.96(7) . . ?
N4 In1 C1 143.77(7) . . ?
Br1 In1 C1 109.59(5) . . ?
N2 In1 C16 120.52(7) . . ?
N3 In1 C16 30.03(7) . . ?
N1 In1 C16 136.48(7) . . ?
N4 In1 C16 30.04(6) . . ?
Br1 In1 C16 115.49(5) . . ?
C1 In1 C16 134.66(6) . . ?
C1 N1 C8 128.30(18) . . ?
C1 N1 In1 91.87(14) . . ?
C8 N1 In1 137.44(14) . . ?
N1 C1 N2 113.14(19) . . ?
N1 C1 C2 123.6(2) . . ?
N2 C1 C2 123.2(2) . . ?
N1 C1 In1 58.16(11) . . ?
N2 C1 In1 55.05(11) . . ?
C2 C1 In1 175.97(15) . . ?
C1 N2 C12 128.66(19) . . ?
C1 N2 In1 94.50(14) . . ?
C12 N2 In1 132.78(14) . . ?
C7 C2 C3 119.2(2) . . ?
C7 C2 C1 121.16(19) . . ?
C3 C2 C1 119.59(19) . . ?
C16 N3 C23 130.26(18) . . ?
C16 N3 In1 94.69(13) . . ?
C23 N3 In1 135.04(14) . . ?
C4 C3 C2 120.7(2) . . ?
C16 N4 C27 127.29(19) . . ?
C16 N4 In1 91.93(13) . . ?
C27 N4 In1 139.07(14) . . ?
C3 C4 C5 119.9(2) . . ?
C4 C5 C6 119.7(2) . . ?
C5 C6 C7 120.3(2) . . ?
C6 C7 C2 120.1(2) . . ?
N1 C8 C11 105.86(17) . . ?
N1 C8 C9 109.62(18) . . ?
C11 C8 C9 109.15(19) . . ?
N1 C8 C10 114.00(18) . . ?
C11 C8 C10 107.38(19) . . ?
C9 C8 C10 110.61(18) . . ?
N2 C12 C15 104.73(18) . . ?
N2 C12 C14 113.62(18) . . ?
C15 C12 C14 108.7(2) . . ?
N2 C12 C13 110.68(19) . . ?
C15 C12 C13 108.82(19) . . ?
C14 C12 C13 110.1(2) . . ?
N4 C16 N3 113.16(19) . . ?
N4 C16 C17 124.8(2) . . ?
N3 C16 C17 122.01(19) . . ?
N4 C16 In1 58.02(11) . . ?
N3 C16 In1 55.27(11) . . ?
C17 C16 In1 174.68(16) . . ?
C22 C17 C18 119.3(2) . . ?
C22 C17 C16 119.3(2) . . ?
C18 C17 C16 121.3(2) . . ?
C19 C18 C17 120.0(2) . . ?
C20 C19 C18 120.2(2) . . ?
C21 C20 C19 120.0(2) . . ?
C20 C21 C22 119.9(2) . . ?
C17 C22 C21 120.5(2) . . ?
N3 C23 C25 108.88(18) . . ?
N3 C23 C24 105.91(18) . . ?
C25 C23 C24 110.10(19) . . ?
N3 C23 C26 115.79(18) . . ?
C25 C23 C26 109.41(19) . . ?
C24 C23 C26 106.62(19) . . ?
N4 C27 C28 105.87(19) . . ?
N4 C27 C30 112.3(2) . . ?
C28 C27 C30 108.3(2) . . ?
N4 C27 C29 111.93(19) . . ?
C28 C27 C29 107.9(2) . . ?
C30 C27 C29 110.2(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
In1 N2 2.1727(18) . ?
In1 N3 2.1864(18) . ?
In1 N1 2.2462(18) . ?
In1 N4 2.2503(19) . ?
In1 Br1 2.5415(6) . ?
In1 C1 2.643(2) . ?
In1 C16 2.651(2) . ?
N1 C1 1.321(3) . ?
N1 C8 1.486(3) . ?
C1 N2 1.343(3) . ?
C1 C2 1.497(3) . ?
N2 C12 1.481(3) . ?
C2 C7 1.388(3) . ?
C2 C3 1.388(3) . ?
N3 C16 1.331(3) . ?
N3 C23 1.485(3) . ?
C3 C4 1.381(3) . ?
N4 C16 1.328(3) . ?
N4 C27 1.489(3) . ?
C4 C5 1.385(3) . ?
C5 C6 1.386(3) . ?
C6 C7 1.386(3) . ?
C8 C11 1.528(3) . ?
C8 C9 1.530(3) . ?
C8 C10 1.532(3) . ?
C12 C15 1.526(3) . ?
C12 C14 1.528(3) . ?
C12 C13 1.533(3) . ?
C16 C17 1.501(3) . ?
C17 C22 1.387(3) . ?
C17 C18 1.390(3) . ?
C18 C19 1.389(3) . ?
C19 C20 1.381(3) . ?
C20 C21 1.379(3) . ?
C21 C22 1.388(3) . ?
C23 C25 1.525(3) . ?
C23 C24 1.528(3) . ?
C23 C26 1.534(3) . ?
C27 C28 1.523(3) . ?
C27 C30 1.524(4) . ?
C27 C29 1.524(3) . ?
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
C8 N1 C1 N2 -161.9(2) . . . . ?
In1 N1 C1 N2 2.92(18) . . . . ?
C8 N1 C1 C2 19.5(3) . . . . ?
In1 N1 C1 C2 -175.70(18) . . . . ?
C8 N1 C1 In1 -164.8(2) . . . . ?
N1 C1 N2 C12 -162.3(2) . . . . ?
C2 C1 N2 C12 16.3(3) . . . . ?
In1 C1 N2 C12 -159.3(2) . . . . ?
N1 C1 N2 In1 -3.03(19) . . . . ?
C2 C1 N2 In1 175.60(17) . . . . ?
N1 C1 C2 C7 -94.4(3) . . . . ?
N2 C1 C2 C7 87.1(3) . . . . ?
N1 C1 C2 C3 84.6(3) . . . . ?
N2 C1 C2 C3 -93.8(3) . . . . ?
C7 C2 C3 C4 -0.5(4) . . . . ?
C1 C2 C3 C4 -179.6(2) . . . . ?
C2 C3 C4 C5 0.7(4) . . . . ?
C3 C4 C5 C6 -0.4(4) . . . . ?
C4 C5 C6 C7 -0.2(4) . . . . ?
C5 C6 C7 C2 0.4(3) . . . . ?
C3 C2 C7 C6 -0.1(3) . . . . ?
C1 C2 C7 C6 179.0(2) . . . . ?
C1 N1 C8 C11 -170.6(2) . . . . ?
In1 N1 C8 C11 32.2(3) . . . . ?
C1 N1 C8 C9 71.8(3) . . . . ?
In1 N1 C8 C9 -85.4(2) . . . . ?
C1 N1 C8 C10 -52.8(3) . . . . ?
In1 N1 C8 C10 150.05(16) . . . . ?
C1 N2 C12 C15 -171.1(2) . . . . ?
In1 N2 C12 C15 37.6(3) . . . . ?
C1 N2 C12 C14 -52.7(3) . . . . ?
In1 N2 C12 C14 156.00(17) . . . . ?
C1 N2 C12 C13 71.8(3) . . . . ?
In1 N2 C12 C13 -79.6(2) . . . . ?
C27 N4 C16 N3 -171.5(2) . . . . ?
In1 N4 C16 N3 -4.07(19) . . . . ?
C27 N4 C16 C17 7.2(4) . . . . ?
In1 N4 C16 C17 174.61(19) . . . . ?
C27 N4 C16 In1 -167.4(2) . . . . ?
C23 N3 C16 N4 -174.7(2) . . . . ?
In1 N3 C16 N4 4.20(19) . . . . ?
C23 N3 C16 C17 6.6(3) . . . . ?
In1 N3 C16 C17 -174.52(18) . . . . ?
C23 N3 C16 In1 -178.9(3) . . . . ?
N4 C16 C17 C22 -104.4(3) . . . . ?
N3 C16 C17 C22 74.2(3) . . . . ?
N4 C16 C17 C18 78.5(3) . . . . ?
N3 C16 C17 C18 -102.9(3) . . . . ?
C22 C17 C18 C19 0.1(3) . . . . ?
C16 C17 C18 C19 177.2(2) . . . . ?
C17 C18 C19 C20 0.0(3) . . . . ?
C18 C19 C20 C21 0.0(4) . . . . ?
C19 C20 C21 C22 0.0(4) . . . . ?
C18 C17 C22 C21 -0.2(3) . . . . ?
C16 C17 C22 C21 -177.3(2) . . . . ?
C20 C21 C22 C17 0.1(4) . . . . ?
C16 N3 C23 C25 -95.7(3) . . . . ?
In1 N3 C23 C25 85.8(2) . . . . ?
C16 N3 C23 C24 145.9(2) . . . . ?
In1 N3 C23 C24 -32.6(3) . . . . ?
C16 N3 C23 C26 28.0(3) . . . . ?
In1 N3 C23 C26 -150.47(17) . . . . ?
C16 N4 C27 C28 170.8(2) . . . . ?
In1 N4 C27 C28 10.2(3) . . . . ?
C16 N4 C27 C30 52.7(3) . . . . ?
In1 N4 C27 C30 -107.8(2) . . . . ?
C16 N4 C27 C29 -71.9(3) . . . . ?
In1 N4 C27 C29 127.5(2) . . . . ?
