#------------------------------------------------------------------------------
#$Date: 2024-12-06 20:14:35 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296500 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/72/7717260.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_7717260
loop_
_publ_author_name
'Zhang, Zaichao'
'Fu, Li-Zhi'
'He, Piao'
'Yi, Xiao-Yi'
_publ_section_title
;
 Neutral mononuclear indium(III) photosensitizers for CO₂
 photoreduction.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17772
_journal_page_last               17776
_journal_paper_doi               10.1039/d4dt02595d
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C39 H27 In N6'
_chemical_formula_sum            'C39 H27 In N6'
_chemical_formula_weight         694.48
_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-2014/7
_audit_update_record
;
2024-08-06 deposited with the CCDC.	2024-10-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.593(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.376(2)
_cell_length_b                   12.5530(14)
_cell_length_c                   15.4838(19)
_cell_measurement_reflns_used    2521
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      24.45
_cell_measurement_theta_min      2.22
_cell_volume                     3140.3(6)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'PHOTON2 CMOS detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0755
_diffrn_reflns_av_unetI/netI     0.1040
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12683
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.023
_diffrn_reflns_theta_max         25.023
_diffrn_reflns_theta_min         2.054
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.791
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5097
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_description       block
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.150
_refine_diff_density_max         2.532
_refine_diff_density_min         -1.097
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         5437
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.1294
_refine_ls_R_factor_gt           0.0705
_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)+(0.0942P)²+4.6277P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1665
_refine_ls_wR_factor_ref         0.2103
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3352
_reflns_number_total             5437
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt02595d2.cif
_cod_data_source_block           1_a
_cod_depositor_comments
'Adding full bibliography for 7717259--7717260.cif.'
_cod_original_cell_volume        3140.4(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7717260
_shelx_shelxl_version_number     2014/7
_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   0.864
_shelx_estimated_absorpt_t_max   0.891
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
C1 C 0.0424(5) 0.4956(7) 0.3316(6) 0.040(2) Uani 1 1 d . . . . .
C2 C -0.0397(6) 0.5312(8) 0.3012(7) 0.052(3) Uani 1 1 d . . . . .
H2 H -0.0586 0.5743 0.3398 0.062 Uiso 1 1 calc R U . . .
C3 C -0.0922(7) 0.5014(9) 0.2133(7) 0.065(3) Uani 1 1 d . . . . .
H3 H -0.1477 0.5263 0.1911 0.079 Uiso 1 1 calc R U . . .
C4 C -0.0667(6) 0.4365(9) 0.1560(7) 0.056(3) Uani 1 1 d . . . . .
H4 H -0.1042 0.4158 0.0963 0.067 Uiso 1 1 calc R U . . .
C5 C 0.0150(5) 0.4028(7) 0.1887(6) 0.040(2) Uani 1 1 d . . . . .
C6 C 0.1069(5) 0.5129(7) 0.4218(6) 0.035(2) Uani 1 1 d . . . . .
C7 C 0.1059(6) 0.5594(7) 0.5017(6) 0.043(2) Uani 1 1 d . . . . .
H7 H 0.0608 0.5958 0.5091 0.051 Uiso 1 1 calc R U . . .
C8 C 0.1851(6) 0.5426(7) 0.5707(6) 0.045(2) Uani 1 1 d . . . . .
H8 H 0.2035 0.5648 0.6338 0.054 Uiso 1 1 calc R U . . .
C9 C 0.2305(6) 0.4871(7) 0.5281(6) 0.041(2) Uani 1 1 d . . . . .
H9 H 0.2866 0.4657 0.5575 0.049 Uiso 1 1 calc R U . . .
C10 C 0.0565(5) 0.3348(7) 0.1447(6) 0.038(2) Uani 1 1 d . . . . .
C11 C 0.0282(6) 0.2885(7) 0.0564(6) 0.045(2) Uani 1 1 d . . . . .
H11 H -0.0246 0.2976 0.0085 0.053 Uiso 1 1 calc R U . . .
C12 C 0.0937(6) 0.2258(7) 0.0533(6) 0.045(2) Uani 1 1 d . . . . .
H12 H 0.0937 0.1843 0.0020 0.055 Uiso 1 1 calc R U . . .
C13 C 0.1582(6) 0.2349(7) 0.1378(6) 0.042(2) Uani 1 1 d . . . . .
H13 H 0.2102 0.2003 0.1538 0.051 Uiso 1 1 calc R U . . .
C14 C 0.3832(5) 0.3216(6) 0.4064(5) 0.0311(19) Uani 1 1 d . . . . .
C15 C 0.4626(5) 0.3455(6) 0.4062(5) 0.0301(18) Uani 1 1 d . . . . .
C16 C 0.4504(5) 0.4331(7) 0.3433(6) 0.035(2) Uani 1 1 d . . . . .
C17 C 0.3661(5) 0.4592(6) 0.3108(5) 0.0307(19) Uani 1 1 d . . . . .
C18 C 0.3492(5) 0.2455(6) 0.4553(5) 0.0278(18) Uani 1 1 d . . . . .
C19 C 0.3968(6) 0.1817(7) 0.5309(6) 0.038(2) Uani 1 1 d . . . . .
H19 H 0.4556 0.1827 0.5528 0.046 Uiso 1 1 calc R U . . .
C20 C 0.3556(6) 0.1175(6) 0.5726(6) 0.039(2) Uani 1 1 d . . . . .
H20 H 0.3863 0.0763 0.6255 0.047 Uiso 1 1 calc R U . . .
C21 C 0.2696(6) 0.1130(7) 0.5375(6) 0.040(2) Uani 1 1 d . . . . .
H21 H 0.2407 0.0661 0.5631 0.048 Uiso 1 1 calc R U . . .
C22 C 0.2282(6) 0.1785(7) 0.4648(6) 0.040(2) Uani 1 1 d . . . . .
H22 H 0.1695 0.1776 0.4421 0.048 Uiso 1 1 calc R U . . .
C23 C 0.5428(5) 0.2945(7) 0.4593(5) 0.0332(19) Uani 1 1 d . . . . .
C24 C 0.6108(5) 0.3546(7) 0.5096(6) 0.038(2) Uani 1 1 d . . . . .
H24 H 0.6057 0.4300 0.5095 0.046 Uiso 1 1 calc R U . . .
C25 C 0.6858(6) 0.3089(8) 0.5599(6) 0.044(2) Uani 1 1 d . . . . .
H25 H 0.7323 0.3528 0.5910 0.053 Uiso 1 1 calc R U . . .
C26 C 0.6938(6) 0.1990(8) 0.5656(6) 0.044(2) Uani 1 1 d . . . . .
H26 H 0.7448 0.1671 0.6031 0.053 Uiso 1 1 calc R U . . .
C27 C 0.6265(6) 0.1362(7) 0.5157(6) 0.042(2) Uani 1 1 d . . . . .
H27 H 0.6314 0.0608 0.5181 0.051 Uiso 1 1 calc R U . . .
C28 C 0.5522(5) 0.1831(7) 0.4623(6) 0.038(2) Uani 1 1 d . . . . .
H28 H 0.5068 0.1395 0.4270 0.046 Uiso 1 1 calc R U . . .
C29 C 0.5159(5) 0.4788(7) 0.3132(5) 0.0334(19) Uani 1 1 d . . . . .
C30 C 0.5372(5) 0.5862(7) 0.3223(6) 0.039(2) Uani 1 1 d . . . . .
H30 H 0.5130 0.6328 0.3535 0.047 Uiso 1 1 calc R U . . .
C31 C 0.5935(6) 0.6254(7) 0.2864(6) 0.044(2) Uani 1 1 d . . . . .
H31 H 0.6075 0.6989 0.2930 0.053 Uiso 1 1 calc R U . . .
C32 C 0.6293(6) 0.5596(9) 0.2414(6) 0.047(2) Uani 1 1 d . . . . .
H32 H 0.6667 0.5879 0.2154 0.057 Uiso 1 1 calc R U . . .
C33 C 0.6110(6) 0.4527(8) 0.2338(6) 0.045(2) Uani 1 1 d . . . . .
H33 H 0.6375 0.4064 0.2049 0.054 Uiso 1 1 calc R U . . .
C34 C 0.5538(5) 0.4124(7) 0.2685(6) 0.037(2) Uani 1 1 d . . . . .
H34 H 0.5403 0.3388 0.2618 0.044 Uiso 1 1 calc R U . . .
C35 C 0.3118(5) 0.5380(6) 0.2500(5) 0.0308(19) Uani 1 1 d . . . . .
C36 C 0.3371(5) 0.6180(6) 0.2025(5) 0.0326(19) Uani 1 1 d . . . . .
H36 H 0.3931 0.6214 0.2073 0.039 Uiso 1 1 calc R U . . .
C37 C 0.2807(6) 0.6914(7) 0.1490(6) 0.044(2) Uani 1 1 d . . . . .
H37 H 0.2974 0.7456 0.1168 0.053 Uiso 1 1 calc R U . . .
C38 C 0.1990(6) 0.6851(8) 0.1430(7) 0.049(2) Uani 1 1 d . . . . .
H38 H 0.1591 0.7359 0.1084 0.059 Uiso 1 1 calc R U . . .
C39 C 0.1778(6) 0.6035(7) 0.1883(6) 0.045(2) Uani 1 1 d . . . . .
H39 H 0.1214 0.5971 0.1818 0.054 Uiso 1 1 calc R U . . .
In1 In 0.19923(4) 0.38684(5) 0.32217(4) 0.0332(2) Uani 1 1 d . . . . .
N1 N 0.0663(4) 0.4342(6) 0.2750(5) 0.0370(17) Uani 1 1 d . . . . .
N2 N 0.1829(4) 0.4682(5) 0.4385(5) 0.0337(16) Uani 1 1 d . . . . .
N3 N 0.1363(4) 0.3010(5) 0.1953(5) 0.0377(17) Uani 1 1 d . . . . .
N4 N 0.3277(4) 0.3901(5) 0.3502(4) 0.0273(14) Uani 1 1 d . . . . .
N5 N 0.2649(4) 0.2443(5) 0.4232(5) 0.0357(17) Uani 1 1 d . . . . .
N6 N 0.2314(4) 0.5324(5) 0.2412(5) 0.0337(16) 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 0.0033 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'
In In -0.7276 1.3100 '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'
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
N1 C1 C2 119.1(8) . . ?
N1 C1 C6 113.6(7) . . ?
C2 C1 C6 127.3(8) . . ?
C3 C2 C1 117.7(9) . . ?
C3 C2 H2 121.1 . . ?
C1 C2 H2 121.1 . . ?
C2 C3 C4 122.5(10) . . ?
C2 C3 H3 118.8 . . ?
C4 C3 H3 118.8 . . ?
C5 C4 C3 118.0(9) . . ?
C5 C4 H4 121.0 . . ?
C3 C4 H4 121.0 . . ?
N1 C5 C4 118.8(8) . . ?
N1 C5 C10 112.0(8) . . ?
C4 C5 C10 129.2(9) . . ?
N2 C6 C7 109.5(7) . . ?
N2 C6 C1 118.0(7) . . ?
C7 C6 C1 132.1(8) . . ?
C6 C7 C8 106.7(8) . . ?
C6 C7 H7 126.6 . . ?
C8 C7 H7 126.6 . . ?
C9 C8 C7 106.3(8) . . ?
C9 C8 H8 126.9 . . ?
C7 C8 H8 126.9 . . ?
N2 C9 C8 109.6(8) . . ?
N2 C9 H9 125.2 . . ?
C8 C9 H9 125.2 . . ?
N3 C10 C11 110.2(7) . . ?
N3 C10 C5 119.0(8) . . ?
C11 C10 C5 130.7(9) . . ?
C10 C11 C12 105.6(8) . . ?
C10 C11 H11 127.2 . . ?
C12 C11 H11 127.2 . . ?
C13 C12 C11 108.0(8) . . ?
C13 C12 H12 126.0 . . ?
C11 C12 H12 126.0 . . ?
N3 C13 C12 110.1(8) . . ?
N3 C13 H13 124.9 . . ?
C12 C13 H13 124.9 . . ?
N4 C14 C15 109.4(7) . . ?
N4 C14 C18 114.8(7) . . ?
C15 C14 C18 135.8(8) . . ?
C14 C15 C16 105.3(7) . . ?
C14 C15 C23 128.9(7) . . ?
C16 C15 C23 125.8(7) . . ?
C17 C16 C15 107.3(7) . . ?
C17 C16 C29 127.9(8) . . ?
C15 C16 C29 124.6(7) . . ?
N4 C17 C16 108.0(7) . . ?
N4 C17 C35 114.5(7) . . ?
C16 C17 C35 137.5(7) . . ?
N5 C18 C19 121.3(7) . . ?
N5 C18 C14 113.7(7) . . ?
C19 C18 C14 124.9(7) . . ?
C20 C19 C18 118.2(8) . . ?
C20 C19 H19 120.9 . . ?
C18 C19 H19 120.9 . . ?
C19 C20 C21 120.5(8) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C22 C21 C20 117.5(8) . . ?
C22 C21 H21 121.3 . . ?
C20 C21 H21 121.3 . . ?
N5 C22 C21 124.6(9) . . ?
N5 C22 H22 117.7 . . ?
C21 C22 H22 117.7 . . ?
C24 C23 C28 117.5(8) . . ?
C24 C23 C15 120.9(8) . . ?
C28 C23 C15 121.5(8) . . ?
C25 C24 C23 121.9(9) . . ?
C25 C24 H24 119.0 . . ?
C23 C24 H24 119.0 . . ?
C24 C25 C26 120.3(9) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C25 C26 C27 119.1(9) . . ?
C25 C26 H26 120.5 . . ?
C27 C26 H26 120.5 . . ?
C28 C27 C26 120.1(9) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C27 C28 C23 121.0(8) . . ?
C27 C28 H28 119.5 . . ?
C23 C28 H28 119.5 . . ?
C30 C29 C34 118.2(7) . . ?
C30 C29 C16 123.1(7) . . ?
C34 C29 C16 118.6(8) . . ?
C31 C30 C29 120.4(8) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C32 C31 C30 120.8(9) . . ?
C32 C31 H31 119.6 . . ?
C30 C31 H31 119.6 . . ?
C31 C32 C33 119.9(8) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 C34 119.9(8) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C33 C34 C29 120.8(8) . . ?
C33 C34 H34 119.6 . . ?
C29 C34 H34 119.6 . . ?
N6 C35 C36 119.6(7) . . ?
N6 C35 C17 115.5(7) . . ?
C36 C35 C17 124.9(7) . . ?
C37 C36 C35 120.1(8) . . ?
C37 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C36 C37 C38 119.0(8) . . ?
C36 C37 H37 120.5 . . ?
C38 C37 H37 120.5 . . ?
C39 C38 C37 118.0(9) . . ?
C39 C38 H38 121.0 . . ?
C37 C38 H38 121.0 . . ?
N6 C39 C38 123.9(9) . . ?
N6 C39 H39 118.0 . . ?
C38 C39 H39 118.0 . . ?
N4 In1 N3 109.9(2) . . ?
N4 In1 N2 105.7(2) . . ?
N3 In1 N2 144.3(3) . . ?
N4 In1 N1 161.9(3) . . ?
N3 In1 N1 73.6(3) . . ?
N2 In1 N1 73.2(3) . . ?
N4 In1 N5 70.4(2) . . ?
N3 In1 N5 100.5(3) . . ?
N2 In1 N5 89.2(2) . . ?
N1 In1 N5 127.2(2) . . ?
N4 In1 N6 70.1(2) . . ?
N3 In1 N6 92.4(2) . . ?
N2 In1 N6 101.7(2) . . ?
N1 In1 N6 92.2(2) . . ?
N5 In1 N6 140.5(2) . . ?
C1 N1 C5 123.9(8) . . ?
C1 N1 In1 118.1(6) . . ?
C5 N1 In1 118.0(5) . . ?
C9 N2 C6 107.8(7) . . ?
C9 N2 In1 135.7(6) . . ?
C6 N2 In1 116.5(5) . . ?
C13 N3 C10 106.1(7) . . ?
C13 N3 In1 136.7(6) . . ?
C10 N3 In1 115.4(5) . . ?
C14 N4 C17 110.0(6) . . ?
C14 N4 In1 124.9(5) . . ?
C17 N4 In1 125.0(5) . . ?
C22 N5 C18 117.9(7) . . ?
C22 N5 In1 125.6(6) . . ?
C18 N5 In1 115.0(5) . . ?
C39 N6 C35 119.3(7) . . ?
C39 N6 In1 126.0(6) . . ?
C35 N6 In1 114.7(5) . . ?
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 N1 1.343(10) . ?
C1 C2 1.400(12) . ?
C1 C6 1.450(12) . ?
C2 C3 1.383(14) . ?
C2 H2 0.9500 . ?
C3 C4 1.391(13) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(12) . ?
C4 H4 0.9500 . ?
C5 N1 1.363(11) . ?
C5 C10 1.440(12) . ?
C6 N2 1.369(10) . ?
C6 C7 1.372(11) . ?
C7 C8 1.413(12) . ?
C7 H7 0.9500 . ?
C8 C9 1.388(12) . ?
C8 H8 0.9500 . ?
C9 N2 1.349(10) . ?
C9 H9 0.9500 . ?
C10 N3 1.385(10) . ?
C10 C11 1.398(12) . ?
C11 C12 1.399(12) . ?
C11 H11 0.9500 . ?
C12 C13 1.379(12) . ?
C12 H12 0.9500 . ?
C13 N3 1.369(10) . ?
C13 H13 0.9500 . ?
C14 N4 1.346(10) . ?
C14 C15 1.413(11) . ?
C14 C18 1.470(10) . ?
C15 C16 1.433(11) . ?
C15 C23 1.478(11) . ?
C16 C17 1.402(11) . ?
C16 C29 1.493(11) . ?
C17 N4 1.367(9) . ?
C17 C35 1.450(11) . ?
C18 N5 1.364(10) . ?
C18 C19 1.409(11) . ?
C19 C20 1.385(11) . ?
C19 H19 0.9500 . ?
C20 C21 1.391(12) . ?
C20 H20 0.9500 . ?
C21 C22 1.366(12) . ?
C21 H21 0.9500 . ?
C22 N5 1.343(10) . ?
C22 H22 0.9500 . ?
C23 C24 1.377(12) . ?
C23 C28 1.406(11) . ?
C24 C25 1.374(12) . ?
C24 H24 0.9500 . ?
C25 C26 1.386(13) . ?
C25 H25 0.9500 . ?
C26 C27 1.386(12) . ?
C26 H26 0.9500 . ?
C27 C28 1.383(12) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.391(11) . ?
C29 C34 1.393(11) . ?
C30 C31 1.381(11) . ?
C30 H30 0.9500 . ?
C31 C32 1.369(13) . ?
C31 H31 0.9500 . ?
C32 C33 1.374(13) . ?
C32 H32 0.9500 . ?
C33 C34 1.389(11) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 N6 1.354(10) . ?
C35 C36 1.407(10) . ?
C36 C37 1.377(12) . ?
C36 H36 0.9500 . ?
C37 C38 1.391(12) . ?
C37 H37 0.9500 . ?
C38 C39 1.367(12) . ?
C38 H38 0.9500 . ?
C39 N6 1.332(10) . ?
C39 H39 0.9500 . ?
In1 N4 2.112(6) . ?
In1 N3 2.153(7) . ?
In1 N2 2.179(6) . ?
In1 N1 2.231(7) . ?
In1 N5 2.374(7) . ?
In1 N6 2.396(6) . ?
