#------------------------------------------------------------------------------
#$Date: 2017-06-01 05:33:16 +0300 (Thu, 01 Jun 2017) $
#$Revision: 197120 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/31/7043168.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_7043168
loop_
_publ_author_name
'Gebhard, Maximilian'
'Hellwig, Malte'
'Kroll, Alexander'
'Rogalla, Detlef'
'Winter, Manuela'
'Mallick, Bert'
'Ludwig, Arne'
'Wiesing, Martin'
'Wieck, Andreas D.'
'Grundmeier, Guido'
'Devi, Anjana'
_publ_section_title
;
 New amidinate complexes of indium(III): Promising CVD precursors for
 transparent and conductive In2O3 thin films
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT01280B
_journal_year                    2017
_chemical_formula_moiety         'C17 H37 In N4'
_chemical_formula_sum            'C17 H37 In N4'
_chemical_formula_weight         412.32
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2016-03-18
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2017-03-07 deposited with the CCDC.
2017-05-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.885(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.7664(8)
_cell_length_b                   12.9424(6)
_cell_length_c                   14.2147(10)
_cell_measurement_reflns_used    5166
_cell_measurement_temperature    113.3(6)
_cell_measurement_theta_max      75.9650
_cell_measurement_theta_min      3.2090
_cell_volume                     2071.4(2)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      113.3(6)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4372
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega -124.00  -79.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.2302  -99.0000   60.0000 45

#__ type_ start__ end____ width___ exp.time_
  2 omega    2.00   99.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       41.2302 -125.0000  -60.0000 97

#__ type_ start__ end____ width___ exp.time_
  3 omega   12.00  115.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       41.2302   57.0000   60.0000 103

#__ type_ start__ end____ width___ exp.time_
  4 omega   35.00  116.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -111.0000   60.0000 81

#__ type_ start__ end____ width___ exp.time_
  5 omega   35.00   69.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -30.0000  150.0000 34

#__ type_ start__ end____ width___ exp.time_
  6 omega   35.00  116.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -111.0000 -150.0000 81

#__ type_ start__ end____ width___ exp.time_
  7 omega   35.00   69.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -30.0000 -150.0000 34

#__ type_ start__ end____ width___ exp.time_
  8 omega   83.00  158.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   61.0000  -30.0000 75

#__ type_ start__ end____ width___ exp.time_
  9 omega   85.00  158.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   45.0000 -120.0000 73

#__ type_ start__ end____ width___ exp.time_
 10 omega   39.00  143.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -61.0000 -180.0000 104

#__ type_ start__ end____ width___ exp.time_
 11 omega -120.00   -8.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.2302  -77.0000 -150.0000 112

#__ type_ start__ end____ width___ exp.time_
 12 omega  -68.00   35.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.2302   38.0000  150.0000 103

#__ type_ start__ end____ width___ exp.time_
 13 omega   12.00  115.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       41.2302   57.0000  150.0000 103

#__ type_ start__ end____ width___ exp.time_
 14 omega   82.00  158.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   30.0000   60.0000 76

#__ type_ start__ end____ width___ exp.time_
 15 omega   35.00   69.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -30.0000   60.0000 34

#__ type_ start__ end____ width___ exp.time_
 16 omega   38.00   77.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -45.0000   30.0000 39

#__ type_ start__ end____ width___ exp.time_
 17 omega   79.00  158.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   77.0000 -180.0000 79

#__ type_ start__ end____ width___ exp.time_
 18 omega   85.00  158.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   45.0000  120.0000 73

#__ type_ start__ end____ width___ exp.time_
 19 omega   83.00  158.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   61.0000  150.0000 75

#__ type_ start__ end____ width___ exp.time_
 20 omega   12.00   83.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       41.2302   57.0000  -30.0000 71
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0591293000
_diffrn_orient_matrix_UB_12      0.0072665000
_diffrn_orient_matrix_UB_13      0.0833114000
_diffrn_orient_matrix_UB_21      -0.0003631000
_diffrn_orient_matrix_UB_22      -0.1187243000
_diffrn_orient_matrix_UB_23      0.0065093000
_diffrn_orient_matrix_UB_31      0.1233766000
_diffrn_orient_matrix_UB_32      0.0030432000
_diffrn_orient_matrix_UB_33      0.0765972000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_av_unetI/netI     0.0231
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.973
_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       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8089
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.830
_diffrn_reflns_theta_min         5.207
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    9.123
_exptl_absorpt_correction_T_max  0.418
_exptl_absorpt_correction_T_min  0.114
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.4731
_exptl_crystal_size_mid          0.2283
_exptl_crystal_size_min          0.1752
_refine_diff_density_max         0.448
_refine_diff_density_min         -0.748
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     107
_refine_ls_number_reflns         2126
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.125
_refine_ls_R_factor_all          0.0259
_refine_ls_R_factor_gt           0.0245
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0312P)²+5.4298P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0668
_refine_ls_wR_factor_ref         0.0681
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2039
_reflns_number_total             2126
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt01280b2.cif
_cod_data_source_block           494ff
_cod_original_cell_volume        2071.3(2)
_cod_database_code               7043168
_shelxl_version_number           2013-4
_chemical_oxdiff_formula         'In1 N4 C17 H37'
_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.
;
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: H9A(0.5) H9B(0.5) H9C(0.5)
3.a Ternary CH refined with riding coordinates:
 C1(H1), C6(H6)
3.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C5(H5A,H5B,H5C), C7(H7A,H7B,H7C), C8(H8A,
 H8B,H8C), C9(H9A,H9B,H9C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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 0.7367(2) 0.3942(2) 0.2968(2) 0.0234(5) Uani 1 1 d . . . . .
H1 H 0.8000 0.4159 0.3573 0.028 Uiso 1 1 calc R . . . .
C2 C 0.6745(3) 0.4909(2) 0.2448(3) 0.0345(7) Uani 1 1 d . . . . .
H2A H 0.6115 0.4707 0.1858 0.052 Uiso 1 1 calc GR . . . .
H2B H 0.7323 0.5346 0.2259 0.052 Uiso 1 1 calc GR . . . .
H2C H 0.6399 0.5293 0.2891 0.052 Uiso 1 1 calc GR . . . .
C3 C 0.7941(3) 0.3322(2) 0.2317(2) 0.0293(6) Uani 1 1 d . . . . .
H3A H 0.8345 0.2718 0.2680 0.044 Uiso 1 1 calc GR . . . .
H3B H 0.8518 0.3756 0.2124 0.044 Uiso 1 1 calc GR . . . .
H3C H 0.7327 0.3092 0.1727 0.044 Uiso 1 1 calc GR . . . .
C4 C 0.6297(2) 0.3333(2) 0.4124(2) 0.0227(5) Uani 1 1 d . . . . .
C5 C 0.7089(3) 0.3902(2) 0.4986(2) 0.0281(6) Uani 1 1 d . . . . .
H5A H 0.7908 0.3662 0.5106 0.042 Uiso 1 1 calc GR . . . .
H5B H 0.6827 0.3771 0.5569 0.042 Uiso 1 1 calc GR . . . .
H5C H 0.7048 0.4644 0.4845 0.042 Uiso 1 1 calc GR . . . .
C6 C 0.5069(3) 0.2561(2) 0.5059(2) 0.0291(6) Uani 1 1 d . . . . .
H6 H 0.5839 0.2461 0.5582 0.035 Uiso 1 1 calc R . . . .
C7 C 0.4369(3) 0.3408(3) 0.5394(2) 0.0338(7) Uani 1 1 d . . . . .
H7A H 0.4813 0.4059 0.5470 0.051 Uiso 1 1 calc GR . . . .
H7B H 0.4250 0.3213 0.6025 0.051 Uiso 1 1 calc GR . . . .
H7C H 0.3596 0.3496 0.4902 0.051 Uiso 1 1 calc GR . . . .
C8 C 0.4388(3) 0.1543(2) 0.4919(3) 0.0373(7) Uani 1 1 d . . . . .
H8A H 0.3637 0.1622 0.4396 0.056 Uiso 1 1 calc GR . . . .
H8B H 0.4222 0.1353 0.5533 0.056 Uiso 1 1 calc GR . . . .
H8C H 0.4865 0.1001 0.4736 0.056 Uiso 1 1 calc GR . . . .
C9 C 0.5000 0.0685(3) 0.2500 0.0408(12) Uani 1 2 d S T P . .
H9A H 0.5665 0.0432 0.2279 0.061 Uiso 0.5 1 calc GR . . A -1
H9B H 0.4251 0.0432 0.2054 0.061 Uiso 0.5 1 calc GR . . A -1
H9C H 0.5084 0.0432 0.3167 0.061 Uiso 0.5 1 calc GR . . A -1
In1 In 0.5000 0.23434(2) 0.2500 0.02034(9) Uani 1 2 d S T P . .
N1 N 0.6522(2) 0.32826(17) 0.32590(17) 0.0222(4) Uani 1 1 d . . . . .
N2 N 0.5327(2) 0.28239(18) 0.41396(17) 0.0233(5) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In 0.0822 5.0449 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-5 -2 -5 0.1399 -5.0000 -2.0000 -5.0001 -0.1354 0.2067 -1.0060
-3 7 4 0.1195 -3.0000 7.0000 4.0000 0.5615 -0.8039 -0.0424
5 2 5 0.2514 5.0000 2.0000 5.0001 0.1354 -0.2067 1.0060
3 -7 -4 0.1057 3.0000 -7.0000 -4.0000 -0.5615 0.8039 0.0424
-6 -5 4 0.0555 -6.0000 -5.0001 3.9999 0.6517 0.6218 -0.4491
2 -8 -2 0.0964 2.0000 -8.0000 -2.0001 -0.3430 0.9361 0.0692
-2 8 2 0.1196 -2.0000 8.0000 2.0001 0.3430 -0.9361 -0.0692
6 -4 -5 0.1409 6.0000 -4.0000 -5.0000 -0.8004 0.4402 0.3451
-6 4 5 0.1354 -6.0000 4.0000 5.0000 0.8004 -0.4402 -0.3451
6 -3 -7 0.0898 6.0000 -2.9999 -7.0000 -0.9598 0.3084 0.1950
-5 3 8 0.1104 -5.0000 2.9999 8.0000 0.9839 -0.3023 0.0050
1 8 0 0.0770 1.0000 8.0000 0.0001 -0.0010 -0.9502 0.1477
-6 -5 0 0.1087 -6.0000 -5.0001 -0.0001 0.3184 0.5958 -0.7555
0 -8 1 0.0734 -0.0000 -8.0000 0.9999 0.0252 0.9563 0.0522
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
C2 C1 H1 108.6 . .
C3 C1 H1 108.6 . .
C3 C1 C2 111.8(2) . .
N1 C1 H1 108.6 . .
N1 C1 C2 110.3(2) . .
N1 C1 C3 108.8(2) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2B 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3B 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C5 C4 In1 175.52(19) . .
N1 C4 C5 122.4(2) . .
N1 C4 In1 53.17(14) . .
N2 C4 C5 124.4(2) . .
N2 C4 In1 60.06(14) . .
N2 C4 N1 113.2(2) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5B 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C7 C6 H6 108.4 . .
C8 C6 H6 108.4 . .
C8 C6 C7 110.5(3) . .
N2 C6 H6 108.4 . .
N2 C6 C7 112.4(2) . .
N2 C6 C8 108.7(3) . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7B 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C6 C8 H8A 109.5 . .
C6 C8 H8B 109.5 . .
C6 C8 H8C 109.5 . .
H8A C8 H8B 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
H9A C9 H9B 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
In1 C9 H9A 109.5 . .
In1 C9 H9B 109.5 . .
In1 C9 H9C 109.5 . .
C4 In1 C4 123.21(11) 2_655 .
C9 In1 C4 118.40(5) . 2_655
C9 In1 C4 118.40(5) . .
C9 In1 N1 124.00(6) . 2_655
C9 In1 N1 124.00(6) . .
C9 In1 N2 105.46(6) . .
C9 In1 N2 105.45(6) . 2_655
N1 In1 C4 109.85(8) . 2_655
N1 In1 C4 29.38(8) 2_655 2_655
N1 In1 C4 109.85(8) 2_655 .
N1 In1 C4 29.38(8) . .
N1 In1 N1 112.01(12) . 2_655
N1 In1 N2 58.82(8) 2_655 2_655
N1 In1 N2 102.69(8) 2_655 .
N1 In1 N2 102.69(8) . 2_655
N1 In1 N2 58.82(8) . .
N2 In1 C4 128.12(8) . 2_655
N2 In1 C4 29.44(8) . .
N2 In1 C4 29.44(8) 2_655 2_655
N2 In1 C4 128.12(8) 2_655 .
N2 In1 N2 149.09(11) . 2_655
C1 N1 In1 135.89(18) . .
C4 N1 C1 124.6(2) . .
C4 N1 In1 97.45(17) . .
C4 N2 C6 122.3(2) . .
C4 N2 In1 90.50(16) . .
C6 N2 In1 144.31(19) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 H1 1.0000 .
C1 C2 1.527(4) .
C1 C3 1.524(4) .
C1 N1 1.458(3) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 C5 1.499(4) .
C4 In1 2.693(3) .
C4 N1 1.332(3) .
C4 N2 1.324(3) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6 1.0000 .
C6 C7 1.528(4) .
C6 C8 1.524(4) .
C6 N2 1.465(3) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C9 In1 2.147(4) .
In1 C4 2.693(3) 2_655
In1 N1 2.174(2) 2_655
In1 N1 2.174(2) .
In1 N2 2.334(2) 2_655
In1 N2 2.334(2) .
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
C2 C1 N1 C4 -91.1(3)
C2 C1 N1 In1 68.3(3)
C3 C1 N1 C4 145.9(3)
C3 C1 N1 In1 -54.6(3)
C5 C4 N1 C1 -14.8(4)
C5 C4 N1 In1 179.5(2)
C5 C4 N2 C6 -14.5(4)
C5 C4 N2 In1 -179.5(2)
C7 C6 N2 C4 89.3(3)
C7 C6 N2 In1 -117.1(3)
C8 C6 N2 C4 -148.0(3)
C8 C6 N2 In1 5.6(4)
In1 C4 N1 C1 165.7(3)
In1 C4 N2 C6 165.0(3)
N1 C4 N2 C6 164.7(2)
N1 C4 N2 In1 -0.3(2)
N2 C4 N1 C1 166.1(2)
N2 C4 N1 In1 0.4(2)
