#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:39:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180048 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/42/7034231.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_7034231
loop_
_publ_author_name
'Osten, K. M.'
'Aluthge, D. C.'
'Mehrkhodavandi, P.'
_publ_section_title
;
 The effect of steric changes on the isoselectivity of dinuclear indium
 catalysts for lactide polymerization.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6126
_journal_page_last               6139
_journal_paper_doi               10.1039/c5dt00222b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C34 H39 Cl2 In N2 O Si'
_chemical_formula_weight         705.48
_chemical_name_systematic
;
 ?
;
_chemical_properties_physical
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-01-16 deposited with the CCDC.
2015-01-28 downloaded from the CCDC.
;
_cell_angle_alpha                105.831(2)
_cell_angle_beta                 91.856(2)
_cell_angle_gamma                111.387(2)
_cell_formula_units_Z            2
_cell_length_a                   9.4897(10)
_cell_length_b                   12.2095(12)
_cell_length_c                   15.9328(16)
_cell_measurement_reflns_used    9857
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      30.04
_cell_measurement_theta_min      2.36
_cell_volume                     1635.7(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX DUO'
_diffrn_measurement_method       'area detector'
_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  0.0378
_diffrn_reflns_av_sigmaI/netI    0.0182
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            108779
_diffrn_reflns_theta_full        30.08
_diffrn_reflns_theta_max         30.08
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    0.952
_exptl_absorpt_correction_T_max  0.8752
_exptl_absorpt_correction_T_min  0.8177
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'TWINABS (Sheldrick, 2008)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Irregular
_exptl_crystal_F_000             724
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.882
_refine_diff_density_min         -0.587
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         9600
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0228
_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)+(0.0261P)²+1.1207P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0537
_refine_ls_wR_factor_ref         0.0572
_reflns_number_gt                8593
_reflns_number_total             9600
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c5dt00222b2.cif
_cod_data_source_block           pm097
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3086 2015-02-26 13:12:21Z robertas 

 Adding full bibliography for 7034231--7034234.cif.
;
_cod_database_code               7034231
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.60419(15) 0.59197(13) 0.27782(9) 0.0124(2) Uani 1 1 d . . .
H1 H 0.5898 0.5345 0.2186 0.013(4) Uiso 1 1 calc R . .
C2 C 0.76963(15) 0.63132(13) 0.32143(9) 0.0124(2) Uani 1 1 d . . .
H2 H 0.7835 0.6929 0.3786 0.014(4) Uiso 1 1 calc R . .
C3 C 0.88279(17) 0.69649(14) 0.26673(10) 0.0167(3) Uani 1 1 d . . .
H3A H 0.9867 0.7224 0.2949 0.021(5) Uiso 1 1 calc R . .
H3B H 0.8704 0.6394 0.2085 0.017(5) Uiso 1 1 calc R . .
C4 C 0.85519(18) 0.80936(14) 0.25822(11) 0.0199(3) Uani 1 1 d . . .
H4A H 0.8743 0.8689 0.3162 0.023(5) Uiso 1 1 calc R . .
H4B H 0.9259 0.8483 0.2225 0.026(5) Uiso 1 1 calc R . .
C5 C 0.69129(19) 0.77214(15) 0.21601(12) 0.0222(3) Uani 1 1 d . . .
H5A H 0.6747 0.8453 0.2140 0.026(5) Uiso 1 1 calc R . .
H5B H 0.6750 0.7187 0.1560 0.023(5) Uiso 1 1 calc R . .
C6 C 0.57761(18) 0.70476(14) 0.26849(11) 0.0192(3) Uani 1 1 d . . .
H6A H 0.4744 0.6784 0.2391 0.020(5) Uiso 1 1 calc R . .
H6B H 0.5874 0.7611 0.3267 0.022(5) Uiso 1 1 calc R . .
C7 C 0.33930(16) 0.44542(13) 0.27426(10) 0.0143(3) Uani 1 1 d . . .
H7A H 0.3043 0.4932 0.2453 0.012(4) Uiso 1 1 calc R . .
H7B H 0.2667 0.4189 0.3133 0.019(5) Uiso 1 1 calc R . .
C8 C 0.33783(15) 0.33206(13) 0.20483(9) 0.0127(2) Uani 1 1 d . . .
C9 C 0.39402(15) 0.24810(13) 0.22466(9) 0.0120(2) Uani 1 1 d . . .
C10 C 0.35507(15) 0.12932(13) 0.16306(9) 0.0135(3) Uani 1 1 d . A .
C11 C 0.27044(16) 0.09997(14) 0.08087(10) 0.0171(3) Uani 1 1 d . . .
H11 H 0.2447 0.0218 0.0408 0.019(5) Uiso 1 1 calc R . .
C12 C 0.22350(17) 0.18491(15) 0.05726(10) 0.0182(3) Uani 1 1 d . . .
C13 C 0.25710(16) 0.29928(14) 0.12056(10) 0.0166(3) Uani 1 1 d . . .
H13 H 0.2246 0.3560 0.1062 0.019(5) Uiso 1 1 calc R . .
C14 C 0.1336(2) 0.15213(18) -0.03235(11) 0.0279(4) Uani 1 1 d . . .
H14A H 0.1855 0.1201 -0.0774 0.050(8) Uiso 1 1 calc R . .
H14B H 0.1249 0.2247 -0.0403 0.043(7) Uiso 1 1 calc R . .
H14C H 0.0333 0.0908 -0.0362 0.055(8) Uiso 1 1 calc R . .
C15 C 0.79999(18) 0.43070(14) 0.25939(11) 0.0189(3) Uani 1 1 d . . .
H15A H 0.8891 0.4662 0.2337 0.023(5) Uiso 1 1 calc R . .
H15B H 0.7099 0.4040 0.2176 0.023(5) Uiso 1 1 calc R . .
H15C H 0.8044 0.3612 0.2748 0.018(5) Uiso 1 1 calc R . .
C16 C 0.94013(17) 0.56957(15) 0.40103(11) 0.0202(3) Uani 1 1 d . . .
H16A H 0.9501 0.5013 0.4158 0.022(5) Uiso 1 1 calc R . .
H16B H 0.9389 0.6301 0.4538 0.022(5) Uiso 1 1 calc R . .
H16C H 1.0250 0.6061 0.3728 0.022(5) Uiso 1 1 calc R . .
C23 C 0.63525(16) 0.08606(13) 0.22275(11) 0.0166(3) Uani 1 1 d . A .
C24 C 0.71393(17) 0.11559(14) 0.15373(11) 0.0195(3) Uani 1 1 d . . .
H24 H 0.6588 0.1063 0.1012 0.025(5) Uiso 1 1 calc R . .
C25 C 0.87291(18) 0.15847(15) 0.16238(12) 0.0227(3) Uani 1 1 d . . .
H25 H 0.9229 0.1768 0.1157 0.032(6) Uiso 1 1 calc R . .
C26 C 0.95662(18) 0.17381(15) 0.24086(13) 0.0245(3) Uani 1 1 d . . .
H26 H 1.0626 0.2003 0.2463 0.035(6) Uiso 1 1 calc R . .
C27 C 0.88193(19) 0.14951(16) 0.31113(13) 0.0262(4) Uani 1 1 d . . .
H27 H 0.9381 0.1623 0.3643 0.029(6) Uiso 1 1 calc R . .
C28 C 0.72216(18) 0.10580(15) 0.30205(12) 0.0212(3) Uani 1 1 d . . .
H28 H 0.6730 0.0896 0.3495 0.025(5) Uiso 1 1 calc R . .
C29 C 0.33760(16) -0.00221(14) 0.30676(11) 0.0177(3) Uani 1 1 d . A .
C30 C 0.3745(2) -0.07880(19) 0.34727(17) 0.0373(5) Uani 1 1 d . . .
H30 H 0.4374 -0.1178 0.3220 0.048(7) Uiso 1 1 calc R . .
C31 C 0.3200(3) -0.0981(2) 0.42378(19) 0.0487(7) Uani 1 1 d . . .
H31 H 0.3484 -0.1480 0.4497 0.060(8) Uiso 1 1 calc R . .
C32 C 0.2241(2) -0.0437(2) 0.46144(15) 0.0384(5) Uani 1 1 d . . .
H32 H 0.1864 -0.0574 0.5124 0.044(7) Uiso 1 1 calc R . .
C33 C 0.1838(2) 0.03159(17) 0.42321(12) 0.0259(3) Uani 1 1 d . . .
H33 H 0.1187 0.0685 0.4483 0.034(6) Uiso 1 1 calc R . .
C34 C 0.24075(17) 0.05220(14) 0.34693(10) 0.0180(3) Uani 1 1 d . . .
H34 H 0.2135 0.1036 0.3221 0.022(5) Uiso 1 1 calc R . .
N1 N 0.49122(13) 0.52762(11) 0.32874(8) 0.0118(2) Uani 1 1 d . . .
N2 N 0.79464(14) 0.52482(11) 0.34002(8) 0.0132(2) Uani 1 1 d . . .
O1 O 0.47910(12) 0.26972(9) 0.30044(7) 0.01354(19) Uani 1 1 d . . .
Si1 Si 0.41984(4) 0.02350(4) 0.20451(3) 0.01547(8) Uani 1 1 d . . .
Cl1 Cl 0.66848(4) 0.63434(3) 0.52999(2) 0.01749(7) Uani 1 1 d . . .
Cl2 Cl 0.70327(5) 0.34815(4) 0.49327(3) 0.02245(8) Uani 1 1 d . . .
In1 In 0.586870(11) 0.429586(9) 0.403474(6) 0.01164(3) Uani 1 1 d . . .
C17 C 0.349(2) -0.1283(14) 0.1120(9) 0.0127(12) Uani 0.521(7) 1 d P A 1
C18 C 0.427(2) -0.172(2) 0.0527(12) 0.0136(14) Uani 0.521(7) 1 d P A 1
H18 H 0.5259 -0.1177 0.0527 0.026(15) Uiso 0.521(7) 1 calc PR A 1
C19 C 0.380(2) -0.290(2) -0.0098(8) 0.0165(14) Uani 0.521(7) 1 d P A 1
H19 H 0.4451 -0.3131 -0.0461 0.03(2) Uiso 0.521(7) 1 calc PR A 1
C20B C 0.2332(9) -0.3676(7) -0.0142(5) 0.0274(10) Uani 0.521(7) 1 d P A 1
H20B H 0.1971 -0.4482 -0.0519 0.052(16) Uiso 0.521(7) 1 calc PR A 1
C21A C 0.1371(5) -0.3262(4) 0.0379(4) 0.0361(13) Uani 0.521(7) 1 d P A 1
H21A H 0.0343 -0.3770 0.0317 0.038(12) Uiso 0.521(7) 1 calc PR A 1
C22A C 0.1941(5) -0.2095(4) 0.0991(4) 0.0306(11) Uani 0.521(7) 1 d P A 1
H22A H 0.1276 -0.1835 0.1329 0.029(11) Uiso 0.521(7) 1 calc PR A 1
C17B C 0.351(2) -0.1419(15) 0.1271(10) 0.0127(12) Uani 0.479(7) 1 d P A 2
C18B C 0.448(2) -0.175(2) 0.0648(14) 0.0136(14) Uani 0.479(7) 1 d P A 2
H18B H 0.5447 -0.1181 0.0637 0.07(3) Uiso 0.479(7) 1 calc PR A 2
C19B C 0.391(3) -0.293(2) 0.0072(9) 0.0165(14) Uani 0.479(7) 1 d P A 2
H19B H 0.4485 -0.3143 -0.0358 0.04(3) Uiso 0.479(7) 1 calc PR A 2
C20 C 0.2531(10) -0.3823(7) 0.0099(5) 0.0274(10) Uani 0.479(7) 1 d P A 2
H20 H 0.2159 -0.4598 -0.0323 0.039(15) Uiso 0.479(7) 1 calc PR A 2
C21B C 0.1707(6) -0.3541(4) 0.0769(4) 0.0382(14) Uani 0.479(7) 1 d P A 2
H21B H 0.0827 -0.4155 0.0837 0.063(18) Uiso 0.479(7) 1 calc PR A 2
C22B C 0.2194(5) -0.2338(4) 0.1343(4) 0.0300(12) Uani 0.479(7) 1 d P A 2
H22B H 0.1618 -0.2157 0.1782 0.035(13) Uiso 0.479(7) 1 calc PR A 2
H35 H 0.479(2) 0.5828(19) 0.3697(14) 0.019(5) Uiso 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'
N N 0.0061 0.0033 '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'
Si Si 0.0817 0.0704 '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'
In In -0.7276 1.3100 '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_3
N1 C1 C6 110.58(11) .
N1 C1 C2 111.32(11) .
C6 C1 C2 110.08(11) .
N1 C1 H1 108.3 .
C6 C1 H1 108.3 .
C2 C1 H1 108.3 .
N2 C2 C3 114.93(11) .
N2 C2 C1 111.33(11) .
C3 C2 C1 109.80(12) .
N2 C2 H2 106.8 .
C3 C2 H2 106.8 .
C1 C2 H2 106.8 .
C4 C3 C2 110.48(12) .
C4 C3 H3A 109.6 .
C2 C3 H3A 109.6 .
C4 C3 H3B 109.6 .
C2 C3 H3B 109.6 .
H3A C3 H3B 108.1 .
C5 C4 C3 110.90(13) .
C5 C4 H4A 109.5 .
C3 C4 H4A 109.5 .
C5 C4 H4B 109.5 .
C3 C4 H4B 109.5 .
H4A C4 H4B 108.0 .
C6 C5 C4 110.52(13) .
C6 C5 H5A 109.5 .
C4 C5 H5A 109.5 .
C6 C5 H5B 109.5 .
C4 C5 H5B 109.5 .
H5A C5 H5B 108.1 .
C5 C6 C1 111.73(13) .
C5 C6 H6A 109.3 .
C1 C6 H6A 109.3 .
C5 C6 H6B 109.3 .
C1 C6 H6B 109.3 .
H6A C6 H6B 107.9 .
N1 C7 C8 114.99(11) .
N1 C7 H7A 108.5 .
C8 C7 H7A 108.5 .
N1 C7 H7B 108.5 .
C8 C7 H7B 108.5 .
H7A C7 H7B 107.5 .
C13 C8 C9 118.33(13) .
C13 C8 C7 118.29(13) .
C9 C8 C7 122.67(12) .
O1 C9 C8 124.76(12) .
O1 C9 C10 115.46(13) .
C8 C9 C10 119.73(13) .
C11 C10 C9 119.40(14) .
C11 C10 Si1 126.27(11) .
C9 C10 Si1 114.29(11) .
C10 C11 C12 121.78(14) .
C10 C11 H11 119.1 .
C12 C11 H11 119.1 .
C11 C12 C13 117.72(14) .
C11 C12 C14 121.08(15) .
C13 C12 C14 121.14(15) .
C12 C13 C8 122.74(14) .
C12 C13 H13 118.6 .
C8 C13 H13 118.6 .
C12 C14 H14A 109.5 .
C12 C14 H14B 109.5 .
H14A C14 H14B 109.5 .
C12 C14 H14C 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
N2 C15 H15A 109.5 .
N2 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
N2 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
N2 C16 H16A 109.5 .
N2 C16 H16B 109.5 .
H16A C16 H16B 109.5 .
N2 C16 H16C 109.5 .
H16A C16 H16C 109.5 .
H16B C16 H16C 109.5 .
C28 C23 C24 117.75(14) .
C28 C23 Si1 123.49(12) .
C24 C23 Si1 118.75(12) .
C25 C24 C23 121.33(16) .
C25 C24 H24 119.3 .
C23 C24 H24 119.3 .
C26 C25 C24 119.89(16) .
C26 C25 H25 120.1 .
C24 C25 H25 120.1 .
C27 C26 C25 119.88(15) .
C27 C26 H26 120.1 .
C25 C26 H26 120.1 .
C26 C27 C28 120.05(17) .
C26 C27 H27 120.0 .
C28 C27 H27 120.0 .
C23 C28 C27 121.02(16) .
C23 C28 H28 119.5 .
C27 C28 H28 119.5 .
C34 C29 C30 116.38(16) .
C34 C29 Si1 123.75(12) .
C30 C29 Si1 119.87(13) .
C31 C30 C29 122.05(19) .
C31 C30 H30 119.0 .
C29 C30 H30 119.0 .
C32 C31 C30 120.10(18) .
C32 C31 H31 120.0 .
C30 C31 H31 120.0 .
C31 C32 C33 119.71(18) .
C31 C32 H32 120.1 .
C33 C32 H32 120.1 .
C32 C33 C34 119.93(18) .
C32 C33 H33 120.0 .
C34 C33 H33 120.0 .
C33 C34 C29 121.82(15) .
C33 C34 H34 119.1 .
C29 C34 H34 119.1 .
C1 N1 C7 113.01(11) .
C1 N1 In1 111.91(8) .
C7 N1 In1 112.78(9) .
C1 N1 H35 107.1(14) .
C7 N1 H35 108.4(14) .
In1 N1 H35 102.9(14) .
C15 N2 C16 108.02(12) .
C15 N2 C2 113.57(11) .
C16 N2 C2 110.68(11) .
C15 N2 In1 107.60(9) .
C16 N2 In1 110.73(9) .
C2 N2 In1 106.21(8) .
C9 O1 In1 131.01(9) .
C10 Si1 C29 112.00(7) .
C10 Si1 C23 109.37(7) .
C29 Si1 C23 111.95(7) .
C10 Si1 C17 105.8(3) .
C29 Si1 C17 109.7(4) .
C23 Si1 C17 107.7(5) .
C10 Si1 C17B 114.9(3) .
C29 Si1 C17B 101.5(4) .
C23 Si1 C17B 106.9(6) .
C17 Si1 C17B 10.0(5) .
In1 Cl1 In1 94.901(12) 2_666
O1 In1 N1 88.02(4) .
O1 In1 N2 98.88(4) .
N1 In1 N2 78.12(4) .
O1 In1 Cl2 98.16(3) .
N1 In1 Cl2 173.76(3) .
N2 In1 Cl2 99.99(3) .
O1 In1 Cl1 168.19(3) .
N1 In1 Cl1 83.92(3) .
N2 In1 Cl1 87.92(3) .
Cl2 In1 Cl1 90.086(15) .
O1 In1 Cl1 86.09(3) 2_666
N1 In1 Cl1 88.65(3) 2_666
N2 In1 Cl1 165.63(3) 2_666
Cl2 In1 Cl1 92.577(15) 2_666
Cl1 In1 Cl1 85.099(12) 2_666
C18 C17 C22A 112.1(14) .
C18 C17 Si1 128.6(14) .
C22A C17 Si1 119.3(10) .
C17 C18 C19 128(2) .
C17 C18 H18 115.8 .
C19 C18 H18 115.8 .
C20B C19 C18 116.5(17) .
C20B C19 H19 121.8 .
C18 C19 H19 121.8 .
C19 C20B C21A 119.6(10) .
C19 C20B H20B 120.2 .
C21A C20B H20B 120.2 .
C22A C21A C20B 120.2(4) .
C22A C21A H21A 119.9 .
C20B C21A H21A 119.9 .
C21A C22A C17 122.6(7) .
C21A C22A H22A 118.7 .
C17 C22A H22A 118.7 .
C22B C17B C18B 118.6(16) .
C22B C17B Si1 122.1(12) .
C18B C17B Si1 119.0(14) .
C19B C18B C17B 117(2) .
C19B C18B H18B 121.4 .
C17B C18B H18B 121.4 .
C20 C19B C18B 123.5(19) .
C20 C19B H19B 118.3 .
C18B C19B H19B 118.3 .
C19B C20 C21B 118.5(11) .
C19B C20 H20 120.7 .
C21B C20 H20 120.7 .
C20 C21B C22B 120.2(5) .
C20 C21B H21B 119.9 .
C22B C21B H21B 119.9 .
C17B C22B C21B 121.2(8) .
C17B C22B H22B 119.4 .
C21B C22B H22B 119.4 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.4882(18) .
C1 C6 1.531(2) .
C1 C2 1.5413(19) .
C1 H1 0.9800 .
C2 N2 1.5052(18) .
C2 C3 1.5368(19) .
C2 H2 0.9800 .
C3 C4 1.533(2) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C5 1.526(2) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.525(2) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 N1 1.4925(18) .
C7 C8 1.513(2) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C13 1.402(2) .
C8 C9 1.414(2) .
C9 O1 1.3368(17) .
C9 C10 1.4185(19) .
C10 C11 1.398(2) .
C10 Si1 1.8712(16) .
C11 C12 1.398(2) .
C11 H11 0.9300 .
C12 C13 1.398(2) .
C12 C14 1.512(2) .
C13 H13 0.9300 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 N2 1.4882(19) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 N2 1.4909(19) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C23 C28 1.399(2) .
C23 C24 1.404(2) .
C23 Si1 1.8837(15) .
C24 C25 1.393(2) .
C24 H24 0.9300 .
C25 C26 1.389(3) .
C25 H25 0.9300 .
C26 C27 1.387(3) .
C26 H26 0.9300 .
C27 C28 1.399(2) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 C34 1.395(2) .
C29 C30 1.402(2) .
C29 Si1 1.8826(17) .
C30 C31 1.385(3) .
C30 H30 0.9300 .
C31 C32 1.375(4) .
C31 H31 0.9300 .
C32 C33 1.381(3) .
C32 H32 0.9300 .
C33 C34 1.394(2) .
C33 H33 0.9300 .
C34 H34 0.9300 .
N1 In1 2.2747(12) .
N1 H35 0.85(2) .
N2 In1 2.3152(12) .
O1 In1 2.0586(10) .
Si1 C17 1.897(16) .
Si1 C17B 1.911(18) .
Cl1 In1 2.5788(4) .
Cl1 In1 2.6160(4) 2_666
Cl2 In1 2.3938(4) .
In1 Cl1 2.6160(4) 2_666
C17 C18 1.34(3) .
C17 C22A 1.414(17) .
C18 C19 1.41(3) .
C18 H18 0.9300 .
C19 C20B 1.35(2) .
C19 H19 0.9300 .
C20B C21A 1.390(9) .
C20B H20B 0.9300 .
C21A C22A 1.385(5) .
C21A H21A 0.9300 .
C22A H22A 0.9300 .
C17B C22B 1.373(18) .
C17B C18B 1.45(3) .
C18B C19B 1.38(3) .
C18B H18B 0.9300 .
C19B C20 1.37(2) .
C19B H19B 0.9300 .
C20 C21B 1.385(10) .
C20 H20 0.9300 .
C21B C22B 1.397(6) .
C21B H21B 0.9300 .
C22B H22B 0.9300 .
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_4
N1 C1 C2 N2 51.17(15) . .
C6 C1 C2 N2 174.16(12) . .
N1 C1 C2 C3 179.60(11) . .
C6 C1 C2 C3 -57.42(15) . .
N2 C2 C3 C4 -175.38(12) . .
C1 C2 C3 C4 58.20(15) . .
C2 C3 C4 C5 -57.86(17) . .
C3 C4 C5 C6 56.28(18) . .
C4 C5 C6 C1 -56.22(18) . .
N1 C1 C6 C5 -179.64(12) . .
C2 C1 C6 C5 56.94(16) . .
N1 C7 C8 C13 -136.68(13) . .
N1 C7 C8 C9 53.15(18) . .
C13 C8 C9 O1 176.49(13) . .
C7 C8 C9 O1 -13.3(2) . .
C13 C8 C9 C10 -6.2(2) . .
C7 C8 C9 C10 163.96(12) . .
O1 C9 C10 C11 -177.97(12) . .
C8 C9 C10 C11 4.5(2) . .
O1 C9 C10 Si1 4.16(16) . .
C8 C9 C10 Si1 -173.39(10) . .
C9 C10 C11 C12 0.4(2) . .
Si1 C10 C11 C12 177.95(11) . .
C10 C11 C12 C13 -3.3(2) . .
C10 C11 C12 C14 179.27(14) . .
C11 C12 C13 C8 1.4(2) . .
C14 C12 C13 C8 178.87(14) . .
C9 C8 C13 C12 3.3(2) . .
C7 C8 C13 C12 -167.30(13) . .
C28 C23 C24 C25 2.5(2) . .
Si1 C23 C24 C25 -177.95(12) . .
C23 C24 C25 C26 -0.6(2) . .
C24 C25 C26 C27 -1.7(3) . .
C25 C26 C27 C28 2.1(3) . .
C24 C23 C28 C27 -2.2(2) . .
Si1 C23 C28 C27 178.33(13) . .
C26 C27 C28 C23 -0.1(3) . .
C34 C29 C30 C31 -1.0(3) . .
Si1 C29 C30 C31 178.33(18) . .
C29 C30 C31 C32 1.4(4) . .
C30 C31 C32 C33 -0.8(4) . .
C31 C32 C33 C34 -0.2(3) . .
C32 C33 C34 C29 0.6(3) . .
C30 C29 C34 C33 0.0(2) . .
Si1 C29 C34 C33 -179.30(13) . .
C6 C1 N1 C7 80.42(14) . .
C2 C1 N1 C7 -156.89(11) . .
C6 C1 N1 In1 -150.96(10) . .
C2 C1 N1 In1 -28.26(13) . .
C8 C7 N1 C1 68.74(15) . .
C8 C7 N1 In1 -59.43(14) . .
C3 C2 N2 C15 -53.45(16) . .
C1 C2 N2 C15 72.18(14) . .
C3 C2 N2 C16 68.24(15) . .
C1 C2 N2 C16 -166.13(12) . .
C3 C2 N2 In1 -171.51(9) . .
C1 C2 N2 In1 -45.88(12) . .
C8 C9 O1 In1 -11.0(2) . .
C10 C9 O1 In1 171.58(9) . .
C11 C10 Si1 C29 -118.82(13) . .
C9 C10 Si1 C29 58.88(12) . .
C11 C10 Si1 C23 116.48(13) . .
C9 C10 Si1 C23 -65.82(12) . .
C11 C10 Si1 C17 0.7(5) . .
C9 C10 Si1 C17 178.4(5) . .
C11 C10 Si1 C17B -3.7(6) . .
C9 C10 Si1 C17B 174.0(6) . .
C34 C29 Si1 C10 -0.44(15) . .
C30 C29 Si1 C10 -179.74(14) . .
C34 C29 Si1 C23 122.82(13) . .
C30 C29 Si1 C23 -56.49(16) . .
C34 C29 Si1 C17 -117.6(5) . .
C30 C29 Si1 C17 63.1(5) . .
C34 C29 Si1 C17B -123.5(5) . .
C30 C29 Si1 C17B 57.2(5) . .
C28 C23 Si1 C10 127.19(13) . .
C24 C23 Si1 C10 -52.32(13) . .
C28 C23 Si1 C29 2.46(15) . .
C24 C23 Si1 C29 -177.05(11) . .
C28 C23 Si1 C17 -118.3(3) . .
C24 C23 Si1 C17 62.2(3) . .
C28 C23 Si1 C17B -107.9(3) . .
C24 C23 Si1 C17B 72.6(3) . .
C9 O1 In1 N1 0.89(12) . .
C9 O1 In1 N2 -76.76(12) . .
C9 O1 In1 Cl2 -178.28(11) . .
C9 O1 In1 Cl1 47.8(2) . .
C9 O1 In1 Cl1 89.67(11) . 2_666
C1 N1 In1 O1 -96.70(9) . .
C7 N1 In1 O1 32.05(9) . .
C1 N1 In1 N2 2.80(9) . .
C7 N1 In1 N2 131.55(10) . .
C1 N1 In1 Cl2 75.7(3) . .
C7 N1 In1 Cl2 -155.5(2) . .
C1 N1 In1 Cl1 91.95(9) . .
C7 N1 In1 Cl1 -139.30(9) . .
C1 N1 In1 Cl1 177.16(9) . 2_666
C7 N1 In1 Cl1 -54.09(9) . 2_666
C15 N2 In1 O1 -12.94(10) . .
C16 N2 In1 O1 -130.78(10) . .
C2 N2 In1 O1 109.00(8) . .
C15 N2 In1 N1 -99.01(9) . .
C16 N2 In1 N1 143.15(10) . .
C2 N2 In1 N1 22.93(8) . .
C15 N2 In1 Cl2 87.05(9) . .
C16 N2 In1 Cl2 -30.79(10) . .
C2 N2 In1 Cl2 -151.01(8) . .
C15 N2 In1 Cl1 176.77(9) . .
C16 N2 In1 Cl1 58.93(9) . .
C2 N2 In1 Cl1 -61.29(8) . .
C15 N2 In1 Cl1 -122.33(12) . 2_666
C16 N2 In1 Cl1 119.83(13) . 2_666
C2 N2 In1 Cl1 -0.39(19) . 2_666
In1 Cl1 In1 O1 41.91(15) 2_666 .
In1 Cl1 In1 N1 89.16(3) 2_666 .
In1 Cl1 In1 N2 167.43(3) 2_666 .
In1 Cl1 In1 Cl2 -92.580(16) 2_666 .
In1 Cl1 In1 Cl1 0.0 2_666 2_666
C10 Si1 C17 C18 100.2(11) . .
C29 Si1 C17 C18 -138.8(10) . .
C23 Si1 C17 C18 -16.7(11) . .
C17B Si1 C17 C18 -104(7) . .
C10 Si1 C17 C22A -78.5(6) . .
C29 Si1 C17 C22A 42.5(7) . .
C23 Si1 C17 C22A 164.6(5) . .
C17B Si1 C17 C22A 78(6) . .
C22A C17 C18 C19 -8.7(17) . .
Si1 C17 C18 C19 172.5(9) . .
C17 C18 C19 C20B 3.8(19) . .
C18 C19 C20B C21A 3.7(13) . .
C19 C20B C21A C22A -5.1(9) . .
C20B C21A C22A C17 -0.4(9) . .
C18 C17 C22A C21A 6.7(11) . .
Si1 C17 C22A C21A -174.4(5) . .
C10 Si1 C17B C22B -93.4(7) . .
C29 Si1 C17B C22B 27.7(9) . .
C23 Si1 C17B C22B 145.1(8) . .
C17 Si1 C17B C22B -119(7) . .
C10 Si1 C17B C18B 93.2(10) . .
C29 Si1 C17B C18B -145.8(9) . .
C23 Si1 C17B C18B -28.3(10) . .
C17 Si1 C17B C18B 68(6) . .
C22B C17B C18B C19B 9.4(17) . .
Si1 C17B C18B C19B -176.9(10) . .
C17B C18B C19B C20 -4.2(19) . .
C18B C19B C20 C21B -3.8(16) . .
C19B C20 C21B C22B 6.8(11) . .
C18B C17B C22B C21B -6.7(14) . .
Si1 C17B C22B C21B 179.8(6) . .
C20 C21B C22B C17B -1.5(11) . .
