#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:52:06 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178671 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/82/4078273.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_4078273
loop_
_publ_author_name
'Ahmad, S. Usman'
'Beckmann, Jens'
'Duthie, Andrew'
_publ_section_title
;
 Concomitant Reactivity of them-Terphenylindium Dihydroxide
 [2,6-Mes2C6H3In(OH)2]4toward Carbon Dioxide and Ethylene Glycol
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              3802
_journal_paper_doi               10.1021/om3001857
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C102 H108 In4 O12'
_chemical_formula_sum            'C102 H110 In4 O12'
_chemical_formula_weight         1987.18
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-03-02
_audit_creation_method
;
  Olex2 1.2-alpha
  (compiled 2012.03.01 svn.r2234, GUI svn.r4099)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 102.40(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.372(8)
_cell_length_b                   19.775(15)
_cell_length_c                   17.780(12)
_cell_measurement_temperature    150
_cell_volume                     4592(5)
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1648
_diffrn_reflns_av_unetI/netI     0.3182
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17343
_diffrn_reflns_theta_full        24.00
_diffrn_reflns_theta_max         24.00
_diffrn_reflns_theta_min         2.02
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           n/a
_diffrn_source_voltage           n/a
_exptl_absorpt_coefficient_mu    1.052
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.72
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'X-Area (Stoe, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2028
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.514
_refine_diff_density_min         -0.543
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.691
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         7169
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.692
_refine_ls_R_factor_all          0.1593
_refine_ls_R_factor_gt           0.0557
_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)+(0.0151P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0913
_refine_ls_wR_factor_ref         0.1228
_reflns_number_gt                2668
_reflns_number_total             7169
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om3001857_si_006.cif
_cod_data_source_block           ua137
_cod_database_code               4078273
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 '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
O2 O 0.6218(5) 0.1100(4) 0.6270(4) 0.045(2) Uani 1 1 d .
O1 O 0.4364(5) 0.1054(4) 0.6412(5) 0.043(2) Uani 1 1 d .
C36 C 0.4498(11) -0.1091(6) 0.8361(9) 0.077(5) Uani 1 1 d .
H36A H 0.5241 -0.1025 0.8449 0.115 Uiso 1 1 calc R
H36B H 0.4253 -0.1308 0.7859 0.115 Uiso 1 1 calc R
H36C H 0.4339 -0.1380 0.8767 0.115 Uiso 1 1 calc R
C27 C 0.9493(11) 0.0298(9) 0.5813(8) 0.094(5) Uani 1 1 d .
H27A H 0.9590 -0.0164 0.5642 0.141 Uiso 1 1 calc R
H27B H 1.0161 0.0521 0.5967 0.141 Uiso 1 1 calc R
H27C H 0.9064 0.0552 0.5390 0.141 Uiso 1 1 calc R
C37 C 0.1230(9) 0.0175(8) 0.8148(9) 0.089(5) Uani 1 1 d .
H37A H 0.0973 0.0635 0.8186 0.133 Uiso 1 1 calc R
H37B H 0.1027 -0.0112 0.8539 0.133 Uiso 1 1 calc R
H37C H 0.0942 -0.0008 0.7635 0.133 Uiso 1 1 calc R
C28 C 0.8004(10) 0.1498(10) 0.7778(8) 0.085(5) Uani 1 1 d .
H28A H 0.7633 0.1426 0.8191 0.128 Uiso 1 1 calc R
H28B H 0.7588 0.1777 0.7373 0.128 Uiso 1 1 calc R
H28C H 0.8653 0.1729 0.7986 0.128 Uiso 1 1 calc R
C44 C 0.5742(11) 0.3552(8) 0.4812(10) 0.090(5) Uani 1 1 d .
H44 H 0.6259 0.3741 0.4584 0.108 Uiso 1 1 calc R
C61 C 0.7563(10) 0.2422(6) 0.5183(10) 0.059(4) Uani 1 1 d .
C25 C 0.8209(8) 0.0846(10) 0.7455(8) 0.065(4) Uani 1 1 d U
C62 C 0.8295(11) 0.2078(8) 0.4916(10) 0.075(5) Uani 1 1 d .
H62 H 0.8971 0.2057 0.5221 0.091 Uiso 1 1 calc R
C60 C 0.6558(9) 0.2474(6) 0.4719(9) 0.049(4) Uani 1 1 d .
C45 C 0.5747(9) 0.2868(7) 0.4967(8) 0.058(4) Uani 1 1 d .
C63 C 0.8073(11) 0.1756(7) 0.4198(11) 0.064(5) Uani 1 1 d .
C56 C 0.2249(10) 0.2649(8) 0.4511(10) 0.079(5) Uani 1 1 d .
H56A H 0.2855 0.2834 0.4357 0.118 Uiso 1 1 calc R
H56B H 0.1670 0.2958 0.4349 0.118 Uiso 1 1 calc R
H56C H 0.2080 0.2208 0.4265 0.118 Uiso 1 1 calc R
C34 C 0.2933(9) 0.0802(8) 0.8452(7) 0.056(4) Uani 1 1 d .
H34 H 0.2578 0.1214 0.8481 0.067 Uiso 1 1 calc R
C43 C 0.4973(11) 0.3973(8) 0.4989(13) 0.116(8) Uani 1 1 d .
H43 H 0.4956 0.4443 0.4880 0.139 Uiso 1 1 calc R
C26 C 0.7875(10) -0.1128(9) 0.7570(9) 0.081(5) Uani 1 1 d .
H26A H 0.7529 -0.1069 0.7999 0.121 Uiso 1 1 calc R
H26B H 0.8488 -0.1407 0.7738 0.121 Uiso 1 1 calc R
H26C H 0.7409 -0.1351 0.7141 0.121 Uiso 1 1 calc R
C58 C 0.4641(11) 0.2838(8) 0.7169(9) 0.095(6) Uani 1 1 d .
H58A H 0.5103 0.2983 0.6841 0.143 Uiso 1 1 calc R
H58B H 0.4938 0.2448 0.7478 0.143 Uiso 1 1 calc R
H58C H 0.4544 0.3209 0.7511 0.143 Uiso 1 1 calc R
C65 C 0.6292(10) 0.2149(7) 0.3996(9) 0.054(4) Uani 1 1 d .
C57 C 0.1058(10) 0.1963(8) 0.6915(9) 0.086(5) Uani 1 1 d .
H57A H 0.1309 0.1948 0.7474 0.129 Uiso 1 1 calc R
H57B H 0.0877 0.1506 0.6721 0.129 Uiso 1 1 calc R
H57C H 0.0451 0.2254 0.6791 0.129 Uiso 1 1 calc R
C42 C 0.4253(12) 0.3678(8) 0.5322(10) 0.088(6) Uani 1 1 d .
H42 H 0.3730 0.3956 0.5442 0.106 Uiso 1 1 calc R
In1 In 0.55438(6) 0.03456(5) 0.68862(5) 0.0367(2) Uani 1 1 d .
In2 In 0.49214(6) 0.15331(4) 0.55131(5) 0.0372(2) Uani 1 1 d .
C68 C 0.5252(10) 0.2199(8) 0.3490(8) 0.081(5) Uani 1 1 d .
H68A H 0.5229 0.1932 0.3022 0.121 Uiso 1 1 calc R
H68B H 0.5100 0.2673 0.3351 0.121 Uiso 1 1 calc R
H68C H 0.4744 0.2025 0.3764 0.121 Uiso 1 1 calc R
C32 C 0.2913(8) -0.0412(8) 0.8250(7) 0.056(4) Uani 1 1 d .
H32 H 0.2538 -0.0822 0.8147 0.068 Uiso 1 1 calc R
C20 C 0.7932(8) 0.0168(9) 0.7664(7) 0.060(5) Uani 1 1 d .
C31 C 0.3989(8) -0.0429(7) 0.8370(7) 0.049(3) Uani 1 1 d .
C33 C 0.2387(8) 0.0190(9) 0.8277(7) 0.060(5) Uani 1 1 d .
C10 C 0.6217(7) 0.0210(6) 0.8086(6) 0.036(3) Uani 1 1 d .
C40 C 0.4992(8) 0.2580(6) 0.5312(7) 0.044(3) Uani 1 1 d .
C23 C 0.8977(9) 0.0277(14) 0.6490(9) 0.090(6) Uani 1 1 d .
C30 C 0.4506(8) 0.0185(7) 0.8507(6) 0.044(3) Uani 1 1 d .
C54 C 0.1879(11) 0.2243(7) 0.6544(10) 0.061(4) Uani 1 1 d .
C50 C 0.3588(10) 0.2635(6) 0.6655(9) 0.059(4) Uani 1 1 d .
C53 C 0.1707(9) 0.2303(7) 0.5764(11) 0.061(4) Uani 1 1 d .
H53 H 0.1063 0.2167 0.5463 0.073 Uiso 1 1 calc R
C13 C 0.7237(9) -0.0025(11) 0.9602(7) 0.121(9) Uani 1 1 d .
H13 H 0.7583 -0.0114 1.0117 0.145 Uiso 1 1 calc R
C21 C 0.8170(8) -0.0466(9) 0.7320(8) 0.064(4) Uani 1 1 d .
C52 C 0.2467(10) 0.2566(7) 0.5378(10) 0.062(4) Uani 1 1 d .
C15 C 0.7282(9) 0.0143(7) 0.8264(7) 0.057(4) Uani 1 1 d .
C12 C 0.6193(8) 0.0060(7) 0.9446(7) 0.068(5) Uani 1 1 d .
H12 H 0.5831 0.0070 0.9850 0.081 Uiso 1 1 calc R
C22 C 0.8664(10) -0.0358(10) 0.6727(8) 0.074(5) Uani 1 1 d .
H22 H 0.8809 -0.0744 0.6451 0.089 Uiso 1 1 calc R
C41 C 0.4245(9) 0.2975(7) 0.5498(8) 0.054(4) Uani 1 1 d .
C14 C 0.7805(9) 0.0014(11) 0.9036(7) 0.126(10) Uani 1 1 d .
H14 H 0.8527 -0.0045 0.9160 0.152 Uiso 1 1 calc R
C11 C 0.5672(7) 0.0134(6) 0.8671(7) 0.045(3) Uani 1 1 d .
C51 C 0.3408(11) 0.2724(7) 0.5825(9) 0.059(4) Uani 1 1 d .
C24 C 0.8743(9) 0.0848(9) 0.6854(8) 0.068(5) Uani 1 1 d .
H24 H 0.8955 0.1271 0.6690 0.082 Uiso 1 1 calc R
C55 C 0.2813(11) 0.2420(7) 0.6977(10) 0.076(5) Uani 1 1 d .
H55 H 0.2924 0.2392 0.7522 0.091 Uiso 1 1 calc R
O3 O 0.6172(5) -0.0382(5) 0.6224(5) 0.048(2) Uani 1 1 d .
O4 O 0.4096(5) -0.0304(4) 0.6489(4) 0.0398(19) Uani 1 1 d .
O6 O 0.5176(6) 0.0848(4) 0.4584(5) 0.050(2) Uani 1 1 d .
C38 C 0.4599(11) 0.1467(9) 0.8774(10) 0.105(6) Uani 1 1 d .
H38A H 0.5336 0.1386 0.8843 0.158 Uiso 1 1 calc R
H38B H 0.4454 0.1655 0.9249 0.158 Uiso 1 1 calc R
H38C H 0.4376 0.1787 0.8350 0.158 Uiso 1 1 calc R
O5 O 0.3607(5) 0.1089(4) 0.4697(5) 0.047(2) Uani 1 1 d .
C1 C 0.3247(9) 0.0088(6) 0.6093(7) 0.053(4) Uani 1 1 d .
H1A H 0.2600 -0.0114 0.6172 0.063 Uiso 1 1 calc R
H1B H 0.3231 0.0086 0.5534 0.063 Uiso 1 1 calc R
C67 C 0.8871(9) 0.1392(8) 0.3881(9) 0.083(5) Uani 1 1 d .
H67A H 0.8564 0.1215 0.3369 0.124 Uiso 1 1 calc R
H67B H 0.9146 0.1017 0.4224 0.124 Uiso 1 1 calc R
H67C H 0.9425 0.1706 0.3843 0.124 Uiso 1 1 calc R
C2 C 0.3339(8) 0.0829(7) 0.6398(8) 0.055(4) Uani 1 1 d .
H2A H 0.2838 0.1123 0.6057 0.066 Uiso 1 1 calc R
H2B H 0.3199 0.0847 0.6923 0.066 Uiso 1 1 calc R
C35 C 0.4018(9) 0.0792(7) 0.8583(7) 0.054(4) Uani 1 1 d .
C66 C 0.7792(10) 0.2755(9) 0.5952(10) 0.109(7) Uani 1 1 d .
H66A H 0.7175 0.2982 0.6039 0.164 Uiso 1 1 calc R
H66B H 0.8339 0.3088 0.5971 0.164 Uiso 1 1 calc R
H66C H 0.8011 0.2413 0.6353 0.164 Uiso 1 1 calc R
C64 C 0.7067(11) 0.1801(7) 0.3739(9) 0.066(4) Uani 1 1 d .
H64 H 0.6917 0.1591 0.3247 0.079 Uiso 1 1 calc R
C3 C 0.4177(10) 0.0781(6) 0.4324(7) 0.041(3) 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'
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
In2 O2 In1 103.1(3) .
In2 O1 In1 103.9(3) .
C2 O1 In1 115.0(7) .
C2 O1 In2 127.8(7) .
C45 C44 C43 120.4(14) .
C62 C61 C60 119.7(15) .
C62 C61 C66 121.4(14) .
C60 C61 C66 118.9(13) .
C20 C25 C28 129.2(14) .
C24 C25 C28 117.7(15) .
C24 C25 C20 113.2(16) .
C61 C62 C63 121.3(14) .
C61 C60 C45 121.9(14) .
C65 C60 C61 121.1(13) .
C65 C60 C45 117.0(12) .
C44 C45 C60 115.4(13) .
C44 C45 C40 120.6(13) .
C40 C45 C60 123.9(12) .
C62 C63 C67 122.3(15) .
C62 C63 C64 119.0(13) .
C64 C63 C67 118.6(16) .
C33 C34 C35 119.1(13) .
C42 C43 C44 117.5(15) .
C60 C65 C68 122.7(13) .
C64 C65 C60 117.5(13) .
C64 C65 C68 119.8(15) .
C43 C42 C41 123.4(14) .
O2 In1 In2 38.18(18) .
O2 In1 O4 130.1(3) .
O1 In1 O2 72.6(3) .
O1 In1 In2 37.9(2) .
O1 In1 C10 126.0(4) .
O1 In1 O4 75.2(3) .
C10 In1 O2 117.3(3) .
C10 In1 In2 142.6(3) .
C10 In1 O4 112.3(3) .
O3 In1 O2 85.9(3) .
O3 In1 O1 124.5(3) .
O3 In1 In2 97.8(2) .
O3 In1 C10 109.4(4) .
O3 In1 O4 82.0(3) .
O4 In1 In2 96.1(2) .
O2 In2 In1 38.8(2) .
O2 In2 O6 89.4(3) .
O2 In2 O5 132.9(3) .
O2 In2 C3 113.6(3) .
O1 In2 O2 73.5(3) .
O1 In2 In1 38.23(18) .
O1 In2 O6 115.0(3) .
O1 In2 O5 87.6(3) .
O1 In2 C3 102.8(4) .
C40 In2 O2 116.2(4) .
C40 In2 O1 127.0(4) .
C40 In2 In1 142.8(3) .
C40 In2 O6 117.0(4) .
C40 In2 O5 109.7(4) .
C40 In2 C3 116.6(4) .
O6 In2 In1 93.5(2) .
O6 In2 C3 30.6(3) .
O5 In2 In1 103.7(2) .
O5 In2 O6 59.7(3) .
O5 In2 C3 29.2(3) .
C3 In2 In1 100.5(3) .
C33 C32 C31 121.6(13) .
C25 C20 C21 126.3(13) .
C25 C20 C15 115.2(13) .
C21 C20 C15 118.4(14) .
C32 C31 C36 118.6(13) .
C30 C31 C36 124.2(10) .
C30 C31 C32 117.3(13) .
C34 C33 C37 120.9(14) .
C32 C33 C37 119.0(14) .
C32 C33 C34 120.0(10) .
C15 C10 In1 115.2(8) .
C15 C10 C11 119.3(9) .
C11 C10 In1 125.3(7) .
C45 C40 In2 122.2(9) .
C41 C40 C45 120.4(12) .
C41 C40 In2 117.3(9) .
C22 C23 C27 118(2) .
C24 C23 C27 123(2) .
C24 C23 C22 118.6(13) .
C31 C30 C11 115.1(12) .
C35 C30 C31 123.1(11) .
C35 C30 C11 121.4(11) .
C53 C54 C57 120.0(15) .
C53 C54 C55 119.1(15) .
C55 C54 C57 120.9(16) .
C51 C50 C58 119.7(13) .
C55 C50 C58 120.7(16) .
C55 C50 C51 119.5(14) .
C54 C53 C52 122.4(14) .
C12 C13 C14 122.5(12) .
C20 C21 C26 122.9(13) .
C22 C21 C26 125.3(17) .
C22 C21 C20 111.8(16) .
C53 C52 C56 121.5(13) .
C51 C52 C56 121.1(13) .
C51 C52 C53 117.4(15) .
C10 C15 C20 123.3(10) .
C10 C15 C14 120.1(11) .
C14 C15 C20 116.5(10) .
C13 C12 C11 118.5(11) .
C21 C22 C23 125.9(16) .
C42 C41 C51 117.6(13) .
C40 C41 C42 117.7(13) .
C40 C41 C51 124.6(12) .
C13 C14 C15 118.5(11) .
C10 C11 C30 121.5(9) .
C10 C11 C12 120.6(9) .
C12 C11 C30 117.7(10) .
C50 C51 C41 118.3(13) .
C52 C51 C50 119.5(13) .
C52 C51 C41 122.3(14) .
C23 C24 C25 124.1(16) .
C50 C55 C54 122.1(17) .
C3 O3 In1 136.1(7) 3_656
C1 O4 In1 112.1(7) .
C3 O6 In2 90.9(7) .
C3 O5 In2 92.9(7) .
O4 C1 C2 110.0(9) .
O1 C2 C1 107.5(9) .
C34 C35 C38 118.3(13) .
C30 C35 C34 118.7(13) .
C30 C35 C38 123.0(11) .
C65 C64 C63 121.4(15) .
O3 C3 In2 176.2(9) 3_656
O3 C3 O6 120.7(11) 3_656
O3 C3 O5 122.6(11) 3_656
O6 C3 In2 58.5(6) .
O5 C3 In2 57.9(6) .
O5 C3 O6 116.4(10) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O2 In1 2.160(8) .
O2 In2 2.132(7) .
O1 In1 2.143(7) .
O1 In2 2.126(8) .
O1 C2 1.437(12) .
C36 C31 1.478(17) .
C27 C23 1.512(19) .
C37 C33 1.514(16) .
C28 C25 1.46(2) .
C44 C45 1.382(19) .
C44 C43 1.409(19) .
C61 C62 1.359(18) .
C61 C60 1.422(16) .
C61 C66 1.49(2) .
C25 C20 1.46(2) .
C25 C24 1.408(19) .
C62 C63 1.40(2) .
C60 C45 1.477(17) .
C60 C65 1.413(18) .
C45 C40 1.407(17) .
C63 C67 1.494(18) .
C63 C64 1.418(18) .
C56 C52 1.516(19) .
C34 C33 1.412(19) .
C34 C35 1.419(15) .
C43 C42 1.36(2) .
C26 C21 1.46(2) .
C58 C50 1.557(17) .
C65 C68 1.489(16) .
C65 C64 1.400(18) .
C57 C54 1.503(19) .
C42 C41 1.426(18) .
In1 In2 3.361(2) .
In1 C10 2.147(10) .
In1 O3 2.141(8) .
In1 O4 2.304(7) .
In2 C40 2.107(12) .
In2 O6 2.219(8) .
In2 O5 2.206(7) .
In2 C3 2.602(12) .
C32 C31 1.409(14) .
C32 C33 1.389(19) .
C20 C21 1.46(2) .
C20 C15 1.515(17) .
C31 C30 1.392(16) .
C10 C15 1.398(14) .
C10 C11 1.400(15) .
C40 C41 1.364(16) .
C23 C22 1.41(2) .
C23 C24 1.37(2) .
C30 C11 1.527(14) .
C30 C35 1.388(17) .
C54 C53 1.361(19) .
C54 C55 1.366(19) .
C50 C51 1.454(19) .
C50 C55 1.355(18) .
C53 C52 1.439(19) .
C13 C12 1.374(15) .
C13 C14 1.387(18) .
C21 C22 1.38(2) .
C52 C51 1.372(17) .
C15 C14 1.422(16) .
C12 C11 1.411(15) .
C41 C51 1.456(18) .
O3 C3 1.263(12) 3_656
O4 C1 1.429(12) .
O6 C3 1.323(13) .
C38 C35 1.544(19) .
O5 C3 1.270(13) .
C1 C2 1.558(16) .
C3 O3 1.263(12) 3_656
