#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:04:25 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178593 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/04/4070426.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_4070426
loop_
_publ_author_name
'Ahmad, S. Usman'
'Beckmann, Jens'
_publ_section_title
;
 Synthesis and Structure of Polynuclear Indoxanes and Thalloxanes
 Containing Bulkym-Terphenyl Substituents
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              6893
_journal_paper_doi               10.1021/om9007967
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C98 H100 Cl6 In4 O9'
_chemical_formula_weight         2093.76
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 115.91(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.767(10)
_cell_length_b                   15.353(5)
_cell_length_c                   27.743(10)
_cell_measurement_temperature    150
_cell_volume                     9489(6)
_computing_cell_refinement       'X-Area (Stoe, 2004)'
_computing_data_collection       'X-Area (Stoe, 2004)'
_computing_data_reduction        'X-Area (Stoe, 2004)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0535
_diffrn_reflns_av_sigmaI/netI    0.0790
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            21866
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.78
_exptl_absorpt_coefficient_mu    1.183
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.74
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'X-Area (Stoe, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.466
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4232
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.894
_refine_diff_density_min         -0.751
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.890
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         8538
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.890
_refine_ls_R_factor_all          0.0821
_refine_ls_R_factor_gt           0.0397
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0370P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0765
_refine_ls_wR_factor_ref         0.0836
_reflns_number_gt                5172
_reflns_number_total             8538
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om9007967_si_001.cif
_cod_data_source_block           publication_text
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        9488(6)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4070426
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.3310(4) 0.1943(6) 0.4563(4) 0.103(3) Uani 1 1 d .
C38 C -0.0975(2) 0.5170(4) 0.3940(3) 0.0515(16) Uani 1 1 d .
H38A H -0.0964 0.5701 0.4126 0.077 Uiso 1 1 calc R
H38B H -0.1035 0.4686 0.4131 0.077 Uiso 1 1 calc R
H38C H -0.1300 0.5194 0.3586 0.077 Uiso 1 1 calc R
C57 C 0.1594(3) 0.3141(4) 0.2582(3) 0.071(2) Uani 1 1 d .
H57A H 0.1508 0.3172 0.2209 0.106 Uiso 1 1 calc R
H57B H 0.1240 0.2969 0.2615 0.106 Uiso 1 1 calc R
H57C H 0.1907 0.2722 0.2758 0.106 Uiso 1 1 calc R
C60 C 0.1999(2) 0.8869(3) 0.3693(2) 0.0356(12) Uani 1 1 d .
C61 C 0.1838(2) 0.9370(4) 0.3232(3) 0.0483(16) Uani 1 1 d .
C62 C 0.1540(3) 1.0157(4) 0.3200(4) 0.077(3) Uani 1 1 d .
H62 H 0.1435 1.0499 0.2895 0.093 Uiso 1 1 calc R
C63 C 0.1399(3) 1.0442(5) 0.3594(4) 0.086(3) Uani 1 1 d .
C64 C 0.1567(3) 0.9928(4) 0.4049(4) 0.072(2) Uani 1 1 d .
H64 H 0.1470 1.0118 0.4320 0.087 Uiso 1 1 calc R
C65 C 0.1874(2) 0.9146(4) 0.4120(3) 0.0459(15) Uani 1 1 d .
C66 C 0.2003(3) 0.9092(5) 0.2798(3) 0.063(2) Uani 1 1 d .
H66A H 0.1861 0.9516 0.2516 0.094 Uiso 1 1 calc R
H66B H 0.1822 0.8538 0.2659 0.094 Uiso 1 1 calc R
H66C H 0.2431 0.9043 0.2941 0.094 Uiso 1 1 calc R
C67 C 0.1068(4) 1.1305(5) 0.3532(6) 0.141(5) Uani 1 1 d .
H67A H 0.1008 1.1411 0.3846 0.212 Uiso 1 1 calc R
H67B H 0.0685 1.1278 0.3224 0.212 Uiso 1 1 calc R
H67C H 0.1301 1.1770 0.3488 0.212 Uiso 1 1 calc R
C68 C 0.2033(3) 0.8593(5) 0.4601(3) 0.0629(19) Uani 1 1 d .
H68A H 0.2244 0.8085 0.4573 0.094 Uiso 1 1 calc R
H68B H 0.1674 0.8420 0.4626 0.094 Uiso 1 1 calc R
H68C H 0.2286 0.8917 0.4915 0.094 Uiso 1 1 calc R
O3 O 0.04265(13) 0.6498(2) 0.30828(14) 0.0316(8) Uani 1 1 d .
O4 O 0.06818(13) 0.8071(2) 0.34235(14) 0.0352(8) Uani 1 1 d .
O5 O 0.0092(5) 0.9618(8) 0.2781(6) 0.139(7) Uani 0.50 1 d P
Cl1 Cl 0.31239(16) 0.2929(2) 0.47631(16) 0.1655(14) Uani 1 1 d .
Cl2 Cl 0.3475(2) 0.1162(3) 0.5029(2) 0.223(3) Uani 1 1 d .
Cl3 Cl 0.27120(13) 0.1645(3) 0.39631(17) 0.1704(15) Uani 1 1 d .
C10 C -0.01435(17) 0.7282(3) 0.41117(18) 0.0268(9) Uani 1 1 d .
C11 C -0.0258(2) 0.8024(3) 0.4357(2) 0.0336(12) Uani 1 1 d .
C12 C -0.0245(2) 0.7945(4) 0.4864(2) 0.0415(14) Uani 1 1 d .
H12 H -0.0315 0.8433 0.5027 0.050 Uiso 1 1 calc R
C13 C -0.0131(2) 0.7165(4) 0.5124(2) 0.0472(15) Uani 1 1 d .
H13 H -0.0117 0.7124 0.5464 0.057 Uiso 1 1 calc R
C14 C -0.0037(2) 0.6429(4) 0.4878(2) 0.0443(14) Uani 1 1 d .
H14 H 0.0029 0.5893 0.5051 0.053 Uiso 1 1 calc R
C15 C -0.0039(2) 0.6486(3) 0.4385(2) 0.0338(12) Uani 1 1 d .
C20 C -0.0375(2) 0.8909(3) 0.4110(2) 0.0337(12) Uani 1 1 d .
C21 C -0.0951(2) 0.9124(3) 0.3719(2) 0.0346(12) Uani 1 1 d .
C22 C -0.1053(3) 0.9962(4) 0.3506(2) 0.0442(14) Uani 1 1 d .
H22 H -0.1435 1.0108 0.3248 0.053 Uiso 1 1 calc R
C23 C -0.0606(3) 1.0582(4) 0.3665(2) 0.0452(14) Uani 1 1 d .
C24 C -0.0045(3) 1.0362(4) 0.4061(3) 0.0462(15) Uani 1 1 d .
H24 H 0.0260 1.0775 0.4177 0.055 Uiso 1 1 calc R
C25 C 0.0071(2) 0.9537(4) 0.4288(2) 0.0420(14) Uani 1 1 d .
C26 C -0.1457(2) 0.8475(4) 0.3551(3) 0.0589(18) Uani 1 1 d .
H26A H -0.1308 0.7936 0.3738 0.088 Uiso 1 1 calc R
H26B H -0.1618 0.8377 0.3172 0.088 Uiso 1 1 calc R
H26C H -0.1766 0.8698 0.3637 0.088 Uiso 1 1 calc R
C27 C -0.0730(3) 1.1477(4) 0.3407(3) 0.070(2) Uani 1 1 d .
H27A H -0.1141 1.1509 0.3145 0.104 Uiso 1 1 calc R
H27B H -0.0471 1.1575 0.3237 0.104 Uiso 1 1 calc R
H27C H -0.0656 1.1913 0.3677 0.104 Uiso 1 1 calc R
C28 C 0.0675(2) 0.9361(4) 0.4763(3) 0.0600(18) Uani 1 1 d .
H28A H 0.0928 0.9864 0.4828 0.090 Uiso 1 1 calc R
H28B H 0.0863 0.8870 0.4684 0.090 Uiso 1 1 calc R
H28C H 0.0614 0.9237 0.5075 0.090 Uiso 1 1 calc R
C30 C 0.0067(2) 0.5679(3) 0.4138(2) 0.0356(13) Uani 1 1 d .
C31 C 0.0626(2) 0.5554(3) 0.4130(2) 0.0390(13) Uani 1 1 d .
C32 C 0.0698(2) 0.4835(4) 0.3859(3) 0.0470(15) Uani 1 1 d .
H32 H 0.1060 0.4764 0.3838 0.056 Uiso 1 1 calc R
C33 C 0.0248(3) 0.4220(4) 0.3618(3) 0.0501(15) Uani 1 1 d .
C34 C -0.0289(2) 0.4346(4) 0.3651(2) 0.0456(14) Uani 1 1 d .
H34 H -0.0593 0.3936 0.3498 0.055 Uiso 1 1 calc R
C35 C -0.0389(2) 0.5056(3) 0.3902(2) 0.0377(13) Uani 1 1 d .
C36 C 0.1139(2) 0.6171(4) 0.4415(3) 0.0543(17) Uani 1 1 d .
H36A H 0.1014 0.6624 0.4582 0.081 Uiso 1 1 calc R
H36B H 0.1261 0.6423 0.4161 0.081 Uiso 1 1 calc R
H36C H 0.1470 0.5859 0.4683 0.081 Uiso 1 1 calc R
C37 C 0.0354(3) 0.3442(4) 0.3335(4) 0.080(2) Uani 1 1 d .
H37A H 0.0001 0.3083 0.3192 0.120 Uiso 1 1 calc R
H37B H 0.0687 0.3110 0.3585 0.120 Uiso 1 1 calc R
H37C H 0.0441 0.3640 0.3049 0.120 Uiso 1 1 calc R
C40 C 0.20621(18) 0.7265(3) 0.34948(18) 0.0290(10) Uani 1 1 d .
C41 C 0.2434(2) 0.6527(3) 0.3574(2) 0.0342(12) Uani 1 1 d .
C42 C 0.3056(2) 0.6587(4) 0.3899(2) 0.0445(15) Uani 1 1 d .
H42 H 0.3297 0.6098 0.3951 0.053 Uiso 1 1 calc R
C43 C 0.3313(2) 0.7358(4) 0.4141(2) 0.0498(15) Uani 1 1 d .
H43 H 0.3725 0.7392 0.4350 0.060 Uiso 1 1 calc R
C44 C 0.2961(2) 0.8074(4) 0.4075(2) 0.0410(14) Uani 1 1 d .
H44 H 0.3136 0.8592 0.4247 0.049 Uiso 1 1 calc R
C45 C 0.23421(19) 0.8042(3) 0.3753(2) 0.0340(12) Uani 1 1 d .
C50 C 0.21962(19) 0.5662(3) 0.3309(2) 0.0337(12) Uani 1 1 d .
C51 C 0.20808(19) 0.5528(3) 0.2778(2) 0.0338(12) Uani 1 1 d .
C52 C 0.1870(2) 0.4713(4) 0.2552(2) 0.0408(14) Uani 1 1 d .
H52 H 0.1775 0.4632 0.2192 0.049 Uiso 1 1 calc R
C53 C 0.1797(2) 0.4020(4) 0.2836(3) 0.0442(15) Uani 1 1 d .
C54 C 0.1948(2) 0.4161(3) 0.3368(3) 0.0437(14) Uani 1 1 d .
H54 H 0.1915 0.3700 0.3571 0.052 Uiso 1 1 calc R
C55 C 0.2151(2) 0.4962(3) 0.3621(2) 0.0393(13) Uani 1 1 d .
C56 C 0.2203(2) 0.6222(4) 0.2461(2) 0.0454(14) Uani 1 1 d .
H56A H 0.2097 0.6013 0.2105 0.068 Uiso 1 1 calc R
H56B H 0.2622 0.6368 0.2630 0.068 Uiso 1 1 calc R
H56C H 0.1970 0.6729 0.2445 0.068 Uiso 1 1 calc R
C58 C 0.2362(2) 0.5045(4) 0.4215(2) 0.0503(15) Uani 1 1 d .
H58A H 0.2485 0.5634 0.4323 0.075 Uiso 1 1 calc R
H58B H 0.2695 0.4660 0.4398 0.075 Uiso 1 1 calc R
H58C H 0.2040 0.4893 0.4304 0.075 Uiso 1 1 calc R
In1 In -0.011128(12) 0.73260(2) 0.333282(12) 0.02608(9) Uani 1 1 d .
In2 In 0.108967(12) 0.72837(3) 0.299475(13) 0.02721(10) Uani 1 1 d .
O1 O -0.08616(13) 0.6564(2) 0.27542(14) 0.0343(8) Uani 1 1 d .
O2 O -0.06300(14) 0.8144(2) 0.26669(15) 0.0330(7) 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'
O O 0.0106 0.0060 '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'
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
Cl2 C1 Cl3 111.6(6) . .
Cl2 C1 Cl1 112.5(6) . .
Cl3 C1 Cl1 107.5(4) . .
C61 C60 C65 121.5(5) . .
C61 C60 C45 119.4(5) . .
C65 C60 C45 119.0(5) . .
C60 C61 C62 117.9(6) . .
C60 C61 C66 120.9(5) . .
C62 C61 C66 121.2(6) . .
C63 C62 C61 122.8(7) . .
C62 C63 C64 117.9(7) . .
C62 C63 C67 120.3(9) . .
C64 C63 C67 121.8(9) . .
C65 C64 C63 123.2(7) . .
C64 C65 C60 116.7(6) . .
C64 C65 C68 122.4(6) . .
C60 C65 C68 120.8(5) . .
In2 O3 In1 108.47(14) . .
In1 O4 In2 104.42(14) . .
C15 C10 C11 117.9(4) . .
C15 C10 In1 118.8(4) . .
C11 C10 In1 123.3(4) . .
C12 C11 C10 119.4(5) . .
C12 C11 C20 117.2(5) . .
C10 C11 C20 123.3(5) . .
C13 C12 C11 121.3(5) . .
C12 C13 C14 119.5(5) . .
C15 C14 C13 120.7(5) . .
C14 C15 C10 121.1(5) . .
C14 C15 C30 118.8(5) . .
C10 C15 C30 120.1(5) . .
C25 C20 C21 119.7(5) . .
C25 C20 C11 120.4(5) . .
C21 C20 C11 119.8(5) . .
C22 C21 C20 118.7(5) . .
C22 C21 C26 120.6(5) . .
C20 C21 C26 120.7(5) . .
C23 C22 C21 122.1(5) . .
C22 C23 C24 118.3(5) . .
C22 C23 C27 120.4(6) . .
C24 C23 C27 121.4(5) . .
C23 C24 C25 121.3(5) . .
C20 C25 C24 119.9(5) . .
C20 C25 C28 120.9(5) . .
C24 C25 C28 119.0(5) . .
C35 C30 C31 119.7(5) . .
C35 C30 C15 120.8(5) . .
C31 C30 C15 119.5(5) . .
C32 C31 C30 118.5(5) . .
C32 C31 C36 120.3(5) . .
C30 C31 C36 121.2(5) . .
C33 C32 C31 122.2(5) . .
C34 C33 C32 117.7(5) . .
C34 C33 C37 122.3(6) . .
C32 C33 C37 120.0(6) . .
C35 C34 C33 122.3(5) . .
C34 C35 C30 119.5(5) . .
C34 C35 C38 121.2(5) . .
C30 C35 C38 119.3(5) . .
C45 C40 C41 117.2(4) . .
C45 C40 In2 118.2(3) . .
C41 C40 In2 124.6(3) . .
C42 C41 C40 120.1(5) . .
C42 C41 C50 117.1(4) . .
C40 C41 C50 122.8(4) . .
C43 C42 C41 120.9(5) . .
C44 C43 C42 119.9(5) . .
C43 C44 C45 120.9(5) . .
C44 C45 C40 121.0(5) . .
C44 C45 C60 116.8(5) . .
C40 C45 C60 122.2(4) . .
C51 C50 C55 120.2(5) . .
C51 C50 C41 120.2(5) . .
C55 C50 C41 119.3(5) . .
C50 C51 C52 118.2(5) . .
C50 C51 C56 121.2(5) . .
C52 C51 C56 120.5(5) . .
C53 C52 C51 123.4(5) . .
C54 C53 C52 116.7(5) . .
C54 C53 C57 121.7(6) . .
C52 C53 C57 121.5(6) . .
C53 C54 C55 123.3(6) . .
C54 C55 C50 118.0(6) . .
C54 C55 C58 120.1(5) . .
C50 C55 C58 121.7(5) . .
O2 In1 O3 106.86(13) . .
O2 In1 O1 71.53(12) . .
O3 In1 O1 83.99(12) . .
O2 In1 O4 87.84(13) . .
O3 In1 O4 72.34(12) . .
O1 In1 O4 142.61(13) . .
O2 In1 C10 126.98(15) . .
O3 In1 C10 126.10(15) . .
O1 In1 C10 108.71(15) . .
O4 In1 C10 108.61(15) . .
O3 In2 O2 107.41(12) . 2
O3 In2 C40 127.40(16) . .
O2 In2 C40 125.16(16) 2 .
O3 In2 O1 86.08(13) . 2
O2 In2 O1 71.27(13) 2 2
C40 In2 O1 110.44(15) . 2
O3 In2 O4 72.19(12) . .
O2 In2 O4 85.84(14) 2 .
C40 In2 O4 107.38(15) . .
O1 In2 O4 142.14(11) 2 .
In1 O1 In2 102.13(13) . 2
In1 O2 In2 105.77(14) . 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 Cl2 1.679(9) .
C1 Cl3 1.737(10) .
C1 Cl1 1.743(11) .
C38 C35 1.512(7) .
C57 C53 1.504(8) .
C60 C61 1.393(8) .
C60 C65 1.412(8) .
C60 C45 1.497(7) .
C61 C62 1.397(9) .
C61 C66 1.493(9) .
C62 C63 1.357(12) .
C63 C64 1.390(12) .
C63 C67 1.528(9) .
C64 C65 1.389(8) .
C65 C68 1.482(9) .
O3 In2 2.136(3) .
O3 In1 2.163(3) .
O4 In1 2.190(3) .
O4 In2 2.224(3) .
O5 O5 1.42(3) 2
C10 C15 1.402(7) .
C10 C11 1.418(7) .
C10 In1 2.198(5) .
C11 C12 1.397(7) .
C11 C20 1.492(7) .
C12 C13 1.363(7) .
C13 C14 1.392(8) .
C14 C15 1.367(8) .
C15 C30 1.496(7) .
C20 C25 1.385(7) .
C20 C21 1.404(7) .
C21 C22 1.392(7) .
C21 C26 1.506(7) .
C22 C23 1.377(8) .
C23 C24 1.385(8) .
C23 C27 1.518(8) .
C24 C25 1.387(8) .
C25 C28 1.524(8) .
C30 C35 1.404(7) .
C30 C31 1.405(7) .
C31 C32 1.390(8) .
C31 C36 1.504(7) .
C32 C33 1.390(8) .
C33 C34 1.385(8) .
C33 C37 1.515(9) .
C34 C35 1.371(8) .
C40 C45 1.407(7) .
C40 C41 1.415(7) .
C40 In2 2.192(4) .
C41 C42 1.409(6) .
C41 C50 1.507(7) .
C42 C43 1.371(8) .
C43 C44 1.364(7) .
C44 C45 1.398(6) .
C50 C51 1.388(7) .
C50 C55 1.415(8) .
C51 C52 1.394(7) .
C51 C56 1.494(8) .
C52 C53 1.383(8) .
C53 C54 1.372(8) .
C54 C55 1.396(8) .
C55 C58 1.500(8) .
In1 O2 2.137(3) .
In1 O1 2.189(3) .
In2 O2 2.141(3) 2
In2 O1 2.198(3) 2
O1 In2 2.198(3) 2
O2 In2 2.141(3) 2
