#------------------------------------------------------------------------------
#$Date: 2018-11-13 01:24:40 +0200 (Tue, 13 Nov 2018) $
#$Revision: 211906 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/02/1550229.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_1550229
loop_
_publ_author_name
'Anker, Mathew'
'Lein, Matthias'
'Coles, Martyn P.'
_publ_section_title
;
 Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity
 Studies of Indium-Nitrogen Multiple Bonds
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/C8SC04078H
_journal_year                    2019
_chemical_formula_moiety         'C56 H92 In2 K2 N4 O2 Si4, 0.5(C6 H14)'
_chemical_formula_sum            'C59 H99 In2 K2 N4 O2 Si4'
_chemical_formula_weight         1316.62
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_atom_sites_solution_hydrogens   geom
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2018-05-07T12:13:17-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2018-08-23 deposited with the CCDC.
2018-11-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.5063(14)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.2852(3)
_cell_length_b                   17.27697(18)
_cell_length_c                   36.4720(5)
_cell_measurement_reflns_used    24607
_cell_measurement_temperature    120.00(10)
_cell_measurement_theta_max      73.465
_cell_measurement_theta_min      5.223
_cell_measurement_wavelength     1.54184
_cell_volume                     13913.9(3)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0856
_diffrn_measured_fraction_theta_full 0.9986
_diffrn_measured_fraction_theta_max 0.9987
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0138371
_diffrn_orient_matrix_UB_12      0.0470878
_diffrn_orient_matrix_UB_13      -0.0376991
_diffrn_orient_matrix_UB_21      0.02781
_diffrn_orient_matrix_UB_22      -0.0647594
_diffrn_orient_matrix_UB_23      -0.018032
_diffrn_orient_matrix_UB_31      -0.0624216
_diffrn_orient_matrix_UB_32      -0.0392815
_diffrn_orient_matrix_UB_33      -0.0154703
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            47273
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        66.4915
_diffrn_reflns_theta_max         66.5974
_diffrn_reflns_theta_min         3.7195
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    7.268
_exptl_absorpt_correction_T_max  0.801
_exptl_absorpt_correction_T_min  0.446
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
        CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
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            'intense yellow'
_exptl_crystal_density_diffrn    1.257
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5512
_exptl_crystal_size_max          0.187
_exptl_crystal_size_mid          0.123
_exptl_crystal_size_min          0.095
_refine_diff_density_max         2.339
_refine_diff_density_min         -1.481
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     703
_refine_ls_number_reflns         12283
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0464P)²+57.4133P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1034
_refine_ls_wR_factor_ref         0.1065
_reflns_number_gt                11198
_reflns_number_total             12283
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8sc04078h2.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      i_1_2/a_1
_cod_database_code               1550229
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
In1 In 0.11459(2) 0.14107(2) 0.11062(2) 0.02962(8) Uani 1 d . .
In2 In -0.00586(2) 0.36242(2) 0.10531(2) 0.03341(8) Uani 1 d . .
K1 K -0.03100(3) 0.13676(5) 0.12405(2) 0.03588(18) Uani 1 d . .
K2 K 0.15276(3) 0.36599(5) 0.12153(3) 0.03555(18) Uani 1 d . .
Si1 Si 0.18663(4) -0.03728(5) 0.13442(3) 0.02309(18) Uani 1 d . .
Si2 Si 0.22100(4) 0.06568(5) 0.07510(3) 0.02369(18) Uani 1 d . .
Si3 Si -0.05344(4) 0.54231(5) 0.13116(2) 0.02186(18) Uani 1 d . .
Si4 Si -0.14643(4) 0.43629(5) 0.07458(3) 0.02516(19) Uani 1 d . .
O1 O 0.21903(13) -0.00440(14) 0.10410(9) 0.0405(7) Uani 1 d . .
O2 O -0.11777(10) 0.50261(14) 0.10751(8) 0.0346(6) Uani 1 d . .
N1 N 0.12569(11) 0.01947(15) 0.13156(7) 0.0197(5) Uani 1 d . .
N2 N 0.19173(12) 0.14638(15) 0.08847(8) 0.0209(5) Uani 1 d . .
N3 N 0.00326(11) 0.48443(15) 0.12719(7) 0.0198(5) Uani 1 d . .
N4 N -0.10449(12) 0.35487(15) 0.08583(8) 0.0229(6) Uani 1 d . .
C1 C 0.07696(14) 0.00090(18) 0.14468(9) 0.0209(6) Uani 1 d . .
C2 C 0.02419(15) -0.0359(2) 0.11962(10) 0.0276(7) Uani 1 d . .
C3 C -0.02598(16) -0.0479(2) 0.13192(12) 0.0371(8) Uani 1 d . .
H3 H -0.0606 -0.0733 0.1151 0.044 Uiso 1 calc . .
C4 C -0.02677(18) -0.0240(3) 0.16774(12) 0.0425(9) Uani 1 d . .
H4 H -0.0619 -0.0314 0.1752 0.051 Uiso 1 calc . .
C5 C 0.02399(17) 0.0108(2) 0.19264(11) 0.0351(8) Uani 1 d . .
H5 H 0.0237 0.0261 0.2176 0.042 Uiso 1 calc . .
C6 C 0.07597(15) 0.0240(2) 0.18198(9) 0.0248(7) Uani 1 d . .
C8 C -0.0180(2) -0.0005(4) 0.05024(13) 0.0743(19) Uani 1 d . .
H8A H -0.0581 0.0033 0.0534 0.111 Uiso 1 calc A 1
H8B H -0.0222 -0.0172 0.0238 0.111 Uiso 1 calc A 1
H8C H 0.0019 0.0502 0.055 0.111 Uiso 1 calc A 1
C10 C 0.13015(16) 0.0622(2) 0.21086(10) 0.0335(8) Uani 1 d . .
H10 H 0.1624 0.0677 0.1983 0.04 Uiso 1 calc . .
C11 C 0.1145(2) 0.1437(3) 0.22155(14) 0.0541(12) Uani 1 d . .
H11A H 0.0986 0.1747 0.198 0.081 Uiso 1 calc . .
H11B H 0.1511 0.1684 0.2387 0.081 Uiso 1 calc . .
H11C H 0.0839 0.14 0.2347 0.081 Uiso 1 calc . .
C12 C 0.1557(2) 0.0127(4) 0.24688(12) 0.0581(14) Uani 1 d . .
H12A H 0.1251 0.0068 0.26 0.087 Uiso 1 calc . .
H12B H 0.1918 0.0378 0.2644 0.087 Uiso 1 calc . .
H12C H 0.1667 -0.0384 0.2395 0.087 Uiso 1 calc . .
C13 C 0.16706(19) -0.1405(2) 0.12250(14) 0.0423(10) Uani 1 d . .
H13A H 0.1434 -0.1451 0.0951 0.063 Uiso 1 calc . .
H13B H 0.1431 -0.1598 0.1383 0.063 Uiso 1 calc . .
H13C H 0.2043 -0.171 0.1278 0.063 Uiso 1 calc . .
C14 C 0.24700(18) -0.0340(3) 0.18249(13) 0.0484(11) Uani 1 d . .
H14A H 0.2833 -0.0604 0.1808 0.073 Uiso 1 calc . .
H14B H 0.2326 -0.06 0.2018 0.073 Uiso 1 calc . .
H14C H 0.2568 0.02 0.1901 0.073 Uiso 1 calc . .
C16 C 0.3025(2) 0.0806(2) 0.07902(16) 0.0513(12) Uani 1 d . .
H16A H 0.3275 0.0779 0.1062 0.077 Uiso 1 calc . .
H16B H 0.3073 0.1315 0.0685 0.077 Uiso 1 calc . .
H16C H 0.3152 0.0402 0.0644 0.077 Uiso 1 calc . .
C17 C 0.21481(13) 0.22109(18) 0.08867(9) 0.0186(6) Uani 1 d . .
C18 C 0.19263(14) 0.27186(19) 0.05659(9) 0.0223(6) Uani 1 d . .
C19 C 0.21689(16) 0.3459(2) 0.05808(10) 0.0289(7) Uani 1 d . .
H19 H 0.2019 0.3794 0.0365 0.035 Uiso 1 calc . .
C20 C 0.26240(16) 0.3719(2) 0.09034(11) 0.0319(8) Uani 1 d . .
H20 H 0.279 0.4222 0.0907 0.038 Uiso 1 calc . .
C21 C 0.28332(14) 0.3238(2) 0.12205(10) 0.0289(7) Uani 1 d . .
H21 H 0.3139 0.3421 0.1444 0.035 Uiso 1 calc . .
C22 C 0.26074(13) 0.24928(19) 0.12209(9) 0.0236(6) Uani 1 d . .
C23 C 0.14248(15) 0.2468(2) 0.02041(9) 0.0270(7) Uani 1 d . .
H23 H 0.1327 0.1915 0.0238 0.032 Uiso 1 calc . .
C24 C 0.08519(16) 0.2939(3) 0.01440(12) 0.0418(9) Uani 1 d . .
H24A H 0.0714 0.2883 0.037 0.063 Uiso 1 calc . .
H24B H 0.0536 0.2752 -0.0087 0.063 Uiso 1 calc . .
H24C H 0.0936 0.3485 0.011 0.063 Uiso 1 calc . .
C25 C 0.16172(19) 0.2521(3) -0.01558(12) 0.0502(11) Uani 1 d . .
H25A H 0.1717 0.3059 -0.0195 0.075 Uiso 1 calc . .
H25B H 0.1285 0.2344 -0.038 0.075 Uiso 1 calc . .
H25C H 0.1974 0.2194 -0.0124 0.075 Uiso 1 calc . .
C26 C 0.28499(17) 0.1994(2) 0.15789(10) 0.0340(8) Uani 1 d . .
H26 H 0.2729 0.1446 0.1504 0.041 Uiso 1 calc . .
C27 C 0.2570(2) 0.2234(3) 0.18888(11) 0.0470(10) Uani 1 d . .
H27A H 0.2695 0.2763 0.1974 0.071 Uiso 1 calc . .
H27B H 0.2709 0.1881 0.211 0.071 Uiso 1 calc . .
H27C H 0.2128 0.221 0.1781 0.071 Uiso 1 calc . .
C28 C 0.35451(19) 0.2021(3) 0.17458(13) 0.0506(11) Uani 1 d . .
H28A H 0.3721 0.1924 0.1539 0.076 Uiso 1 calc . .
H28B H 0.3685 0.1625 0.1947 0.076 Uiso 1 calc . .
H28C H 0.3672 0.2533 0.1858 0.076 Uiso 1 calc . .
C29 C 0.06564(14) 0.50177(18) 0.14111(9) 0.0206(6) Uani 1 d . .
C30 C 0.09467(15) 0.53907(19) 0.11701(10) 0.0261(7) Uani 1 d . .
C31 C 0.15712(16) 0.5507(2) 0.13016(12) 0.0344(8) Uani 1 d . .
H31 H 0.1759 0.576 0.1138 0.041 Uiso 1 calc . .
C32 C 0.19243(16) 0.5262(3) 0.16648(12) 0.0397(9) Uani 1 d . .
H32 H 0.235 0.5344 0.175 0.048 Uiso 1 calc . .
C33 C 0.16486(16) 0.4897(2) 0.19012(11) 0.0356(8) Uani 1 d . .
H33 H 0.1889 0.473 0.2151 0.043 Uiso 1 calc . .
C34 C 0.10205(15) 0.4766(2) 0.17807(10) 0.0277(7) Uani 1 d . .
C35 C 0.05967(17) 0.5626(3) 0.07600(11) 0.0396(9) Uani 1 d . .
H35 H 0.0156 0.5617 0.0734 0.047 Uiso 1 calc . .
C36 C 0.0702(2) 0.5028(4) 0.04765(13) 0.0727(18) Uani 1 d . .
H36A H 0.1136 0.4998 0.0509 0.109 Uiso 1 calc . .
H36B H 0.0481 0.5185 0.0211 0.109 Uiso 1 calc . .
H36C H 0.0557 0.452 0.0528 0.109 Uiso 1 calc . .
C37 C 0.0749(3) 0.6435(4) 0.0660(2) 0.090(3) Uani 1 d . .
H37A H 0.067 0.6806 0.0841 0.135 Uiso 1 calc . .
H37B H 0.0499 0.6563 0.0396 0.135 Uiso 1 calc . .
H37C H 0.1178 0.6458 0.0678 0.135 Uiso 1 calc . .
C38 C 0.07570(16) 0.4341(2) 0.20549(10) 0.0341(8) Uani 1 d . .
H38 H 0.0308 0.4315 0.1929 0.041 Uiso 1 calc . .
C39 C 0.0994(2) 0.3508(3) 0.21273(13) 0.0462(10) Uani 1 d . .
H39A H 0.0888 0.3228 0.1881 0.069 Uiso 1 calc . .
H39B H 0.0809 0.3249 0.2301 0.069 Uiso 1 calc . .
H39C H 0.1435 0.3515 0.2246 0.069 Uiso 1 calc . .
C40 C 0.0877(2) 0.4774(3) 0.24371(11) 0.0528(12) Uani 1 d . .
H40A H 0.1311 0.4756 0.2582 0.079 Uiso 1 calc . .
H40B H 0.0648 0.4531 0.259 0.079 Uiso 1 calc . .
H40C H 0.0749 0.5315 0.2385 0.079 Uiso 1 calc . .
C41 C -0.05183(19) 0.6417(2) 0.11218(14) 0.0405(9) Uani 1 d . .
H41A H -0.0664 0.6405 0.0838 0.061 Uiso 1 calc . .
H41B H -0.0102 0.6615 0.1211 0.061 Uiso 1 calc . .
H41C H -0.078 0.6755 0.1215 0.061 Uiso 1 calc . .
C42 C -0.0556(2) 0.5535(3) 0.18183(12) 0.0518(12) Uani 1 d . .
H42A H -0.0925 0.5813 0.1814 0.078 Uiso 1 calc . .
H42B H -0.02 0.5828 0.1972 0.078 Uiso 1 calc . .
H42C H -0.0554 0.5022 0.1934 0.078 Uiso 1 calc . .
C43 C -0.1448(3) 0.4797(3) 0.02888(14) 0.0741(18) Uani 1 d . .
H43A H -0.1629 0.5315 0.0261 0.111 Uiso 1 calc . .
H43B H -0.1679 0.4472 0.0072 0.111 Uiso 1 calc . .
H43C H -0.1028 0.4836 0.029 0.111 Uiso 1 calc . .
C44 C -0.22569(17) 0.4182(3) 0.07403(19) 0.0619(15) Uani 1 d . .
H44A H -0.2271 0.4182 0.1006 0.093 Uiso 1 calc . .
H44B H -0.2394 0.3679 0.062 0.093 Uiso 1 calc . .
H44C H -0.2522 0.459 0.0592 0.093 Uiso 1 calc . .
C45 C -0.12671(13) 0.28058(19) 0.08837(10) 0.0230(6) Uani 1 d . .
C46 C -0.13708(14) 0.22687(19) 0.05756(10) 0.0256(7) Uani 1 d . .
C47 C -0.15963(16) 0.1534(2) 0.06114(11) 0.0330(8) Uani 1 d . .
H47 H -0.1666 0.1177 0.0404 0.04 Uiso 1 calc . .
C48 C -0.17213(17) 0.1313(2) 0.09433(13) 0.0371(9) Uani 1 d . .
H48 H -0.1884 0.0815 0.0961 0.045 Uiso 1 calc . .
C49 C -0.16072(16) 0.1825(2) 0.12487(12) 0.0346(8) Uani 1 d . .
H49 H -0.1685 0.1668 0.1478 0.041 Uiso 1 calc . .
C50 C -0.13802(15) 0.2565(2) 0.12292(11) 0.0289(7) Uani 1 d . .
C51 C -0.12418(17) 0.2479(2) 0.02052(10) 0.0317(8) Uani 1 d . .
H51 H -0.1126 0.3038 0.0222 0.038 Uiso 1 calc . .
C52 C -0.1786(2) 0.2373(4) -0.01549(13) 0.0611(14) Uani 1 d . .
H52A H -0.1908 0.1827 -0.0179 0.092 Uiso 1 calc . .
H52B H -0.1679 0.2529 -0.0383 0.092 Uiso 1 calc . .
H52C H -0.2122 0.2693 -0.0135 0.092 Uiso 1 calc . .
C53 C -0.0712(2) 0.2015(3) 0.01588(14) 0.0530(12) Uani 1 d . .
H53A H -0.0351 0.2108 0.0382 0.08 Uiso 1 calc . .
H53B H -0.0633 0.2178 -0.0078 0.08 Uiso 1 calc . .
H53C H -0.0812 0.1463 0.0143 0.08 Uiso 1 calc . .
C54 C -0.1251(2) 0.3097(2) 0.15762(11) 0.0405(9) Uani 1 d . .
H54 H -0.1184 0.363 0.1491 0.049 Uiso 1 calc . .
C55 C -0.0675(2) 0.2845(3) 0.18904(14) 0.0581(12) Uani 1 d . .
H55A H -0.0735 0.233 0.1985 0.087 Uiso 1 calc . .
H55B H -0.0581 0.3215 0.2105 0.087 Uiso 1 calc . .
H55C H -0.0338 0.2827 0.1784 0.087 Uiso 1 calc . .
C56 C -0.1779(3) 0.3131(4) 0.17409(16) 0.0676(15) Uani 1 d . .
H56A H -0.2152 0.3259 0.1534 0.101 Uiso 1 calc . .
H56B H -0.1697 0.3529 0.1943 0.101 Uiso 1 calc . .
H56C H -0.1824 0.2627 0.1852 0.101 Uiso 1 calc . .
C57 C 0.1121(5) 0.7142(7) 0.2000(3) 0.159(5) Uani 1 d . .
H57A H 0.085 0.6698 0.1979 0.239 Uiso 1 calc . .
H57B H 0.0949 0.7597 0.2087 0.239 Uiso 1 calc . .
H57C H 0.1166 0.7247 0.1747 0.239 Uiso 1 calc . .
C58 C 0.1755(6) 0.6954(7) 0.2299(3) 0.158(5) Uani 1 d . .
H58A H 0.1701 0.6833 0.2551 0.189 Uiso 1 calc . .
H58B H 0.1918 0.6484 0.2211 0.189 Uiso 1 calc . .
C59 C 0.2183(4) 0.7546(5) 0.23532(18) 0.100(3) Uani 1 d . .
H59A H 0.2002 0.8017 0.2426 0.12 Uiso 1 calc . .
H59B H 0.2236 0.7651 0.2099 0.12 Uiso 1 calc . .
C7 C 0.02017(17) -0.0593(3) 0.07897(12) 0.0407(9) Uani 0.45(5) d B 1
H7 H 0.0618 -0.0609 0.0767 0.049 Uiso 0.45(5) calc B 1
C9 C -0.0132(11) -0.1345(11) 0.0626(9) 0.059(5) Uani 0.45(5) d B 1
H9A H 0.0057 -0.1779 0.0794 0.089 Uiso 0.45(5) calc B 1
H9B H -0.0109 -0.1434 0.0366 0.089 Uiso 0.45(5) calc B 1
H9C H -0.0557 -0.1302 0.0614 0.089 Uiso 0.45(5) calc B 1
C7A C 0.02017(17) -0.0593(3) 0.07897(12) 0.0407(9) Uani 0.55(5) d B 2
H7A H 0.0622 -0.0543 0.0775 0.049 Uiso 0.55(5) calc B 2
C9A C 0.0049(13) -0.1476(9) 0.0745(9) 0.073(6) Uani 0.55(5) d B 2
H9A1 H 0.0352 -0.1765 0.0948 0.109 Uiso 0.55(5) calc B 2
H9A2 H 0.0055 -0.1654 0.0491 0.109 Uiso 0.55(5) calc B 2
H9A3 H -0.0353 -0.1564 0.0769 0.109 Uiso 0.55(5) calc B 2
C15 C 0.1860(9) 0.0390(16) 0.0231(4) 0.046(5) Uani 0.45(5) d B 1
H15A H 0.2032 -0.0099 0.018 0.069 Uiso 0.45(5) calc B 1
H15B H 0.1942 0.0798 0.0068 0.069 Uiso 0.45(5) calc B 1
H15C H 0.1421 0.0332 0.0173 0.069 Uiso 0.45(5) calc B 1
C15A C 0.1691(13) 0.0229(13) 0.0294(5) 0.069(6) Uani 0.55(5) d B 2
H15D H 0.1857 -0.0265 0.0242 0.104 Uiso 0.55(5) calc B 2
H15E H 0.1653 0.0586 0.0078 0.104 Uiso 0.55(5) calc B 2
H15F H 0.1291 0.0142 0.0322 0.104 Uiso 0.55(5) calc B 2
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3868 1.0657 '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
-1 -11 -7 0.049
10 7 4 0.0733
13 4 1 0.0705
7 -10 -7 0.0437
-12 -4 -5 0.0962
12 7 -6 0.0801
4 -3 18 0.0442
1 -5 19 0.0441
-9 -8 13 0.0727
-1 0 23 0.0463
6 3 16 0.054
-4 6 20 0.0577
-11 4 19 0.076
-7 10 5 0.0608
3 11 5 0.0685
-4 9 -10 0.0551
5 10 -7 0.0688
1 4 -22 0.0439
5 5 -21 0.0526
-6 -10 4 0.0605
0 -11 6 0.0385
3 -10 7 0.042
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
N2 In1 N1 98.43(9) . .
N2 In1 K1 166.96(7) . .
N1 In1 K1 86.86(7) . .
N2 In1 K2 79.21(7) . .
N1 In1 K2 153.02(7) . .
K1 In1 K2 101.421(18) . .
N4 In2 N3 98.24(9) . .
N4 In2 K2 170.76(8) . .
N3 In2 K2 87.03(6) . .
N4 In2 K1 78.64(7) . .
N3 In2 K1 148.41(7) . .
K2 In2 K1 100.826(18) . .
C48 K1 C49 25.52(11) . .
C48 K1 C47 25.51(10) . .
C49 K1 C47 44.61(10) . .
C48 K1 C4 90.53(10) . .
C49 K1 C4 95.27(10) . .
C47 K1 C4 108.33(10) . .
C48 K1 C3 90.31(10) . .
C49 K1 C3 104.97(10) . .
C47 K1 C3 98.93(10) . .
C4 K1 C3 24.86(10) . .
C48 K1 C50 44.84(10) . .
C49 K1 C50 25.26(9) . .
C47 K1 C50 51.81(10) . .
C4 K1 C50 117.76(10) . .
C3 K1 C50 130.20(9) . .
C48 K1 C5 111.15(10) . .
C49 K1 C5 107.85(9) . .
C47 K1 C5 132.11(10) . .
C4 K1 C5 24.68(10) . .
C3 K1 C5 43.18(10) . .
C50 K1 C5 123.49(9) . .
C48 K1 C46 44.67(9) . .
C49 K1 C46 51.72(9) . .
C47 K1 C46 25.08(9) . .
C4 K1 C46 133.20(10) . .
C3 K1 C46 122.72(9) . .
C50 K1 C46 44.30(9) . .
C5 K1 C46 155.80(9) . .
C48 K1 C2 110.02(9) . .
C49 K1 C2 128.71(10) . .
C47 K1 C2 110.13(9) . .
C4 K1 C2 43.95(9) . .
C3 K1 C2 24.82(9) . .
C50 K1 C2 153.76(9) . .
C5 K1 C2 50.48(9) . .
C46 K1 C2 128.03(9) . .
C48 K1 C45 51.92(9) . .
C49 K1 C45 44.32(9) . .
C47 K1 C45 44.08(9) . .
C4 K1 C45 139.41(9) . .
C3 K1 C45 141.51(9) . .
C50 K1 C45 25.18(8) . .
C5 K1 C45 148.64(9) . .
C46 K1 C45 24.89(8) . .
C2 K1 C45 152.79(9) . .
C48 K1 C6 134.06(9) . .
C49 K1 C6 132.07(9) . .
C47 K1 C6 149.28(9) . .
C4 K1 C6 43.63(9) . .
C3 K1 C6 50.40(9) . .
C50 K1 C6 143.18(9) . .
C5 K1 C6 24.54(8) . .
C46 K1 C6 171.32(9) . .
C2 K1 C6 43.35(8) . .
C45 K1 C6 163.78(9) . .
C48 K1 C1 133.69(9) . .
C49 K1 C1 146.40(9) . .
C47 K1 C1 134.38(9) . .
C4 K1 C1 51.29(9) . .
C3 K1 C1 43.73(8) . .
C50 K1 C1 166.92(9) . .
C5 K1 C1 43.45(8) . .
C46 K1 C1 147.26(9) . .
C2 K1 C1 24.88(8) . .
C45 K1 C1 167.82(8) . .
C6 K1 C1 24.63(8) . .
C20 K2 C21 25.62(10) . .
C20 K2 C19 25.57(10) . .
C21 K2 C19 44.75(9) . .
C20 K2 C32 91.27(10) . .
C21 K2 C32 94.41(9) . .
C19 K2 C32 110.18(10) . .
C20 K2 C31 89.97(9) . .
C21 K2 C31 103.40(9) . .
C19 K2 C31 100.05(10) . .
C32 K2 C31 24.97(10) . .
C20 K2 C22 44.93(9) . .
C21 K2 C22 25.28(9) . .
C19 K2 C22 51.93(9) . .
C32 K2 C22 116.16(9) . .
C31 K2 C22 128.53(9) . .
C20 K2 C33 112.42(10) . .
C21 K2 C33 107.71(9) . .
C19 K2 C33 134.16(10) . .
C32 K2 C33 24.77(10) . .
C31 K2 C33 43.42(10) . .
C22 K2 C33 122.22(9) . .
C20 K2 C18 44.79(9) . .
C21 K2 C18 51.90(8) . .
C19 K2 C18 25.12(8) . .
C32 K2 C18 134.83(9) . .
C31 K2 C18 124.31(9) . .
C22 K2 C18 44.44(8) . .
C33 K2 C18 157.18(9) . .
C20 K2 C30 109.08(9) . .
C21 K2 C30 126.99(9) . .
C19 K2 C30 110.47(9) . .
C32 K2 C30 44.04(9) . .
C31 K2 C30 24.86(8) . .
C22 K2 C30 152.21(9) . .
C33 K2 C30 50.70(9) . .
C18 K2 C30 129.25(9) . .
C20 K2 C34 135.20(10) . .
C21 K2 C34 132.38(9) . .
C19 K2 C34 150.79(9) . .
C32 K2 C34 43.93(9) . .
C31 K2 C34 50.74(9) . .
C22 K2 C34 142.59(9) . .
C33 K2 C34 24.85(8) . .
C18 K2 C34 172.41(9) . .
C30 K2 C34 43.52(9) . .
C20 K2 C17 52.18(8) . .
C21 K2 C17 44.51(8) . .
C19 K2 C17 44.32(8) . .
C32 K2 C17 138.92(9) . .
C31 K2 C17 141.92(9) . .
C22 K2 C17 25.27(8) . .
C33 K2 C17 147.31(8) . .
C18 K2 C17 25.08(8) . .
C30 K2 C17 153.99(8) . .
C34 K2 C17 162.36(9) . .
C20 K2 C29 133.13(9) . .
C21 K2 C29 145.43(9) . .
C19 K2 C29 134.46(9) . .
C32 K2 C29 51.40(9) . .
C31 K2 C29 43.83(8) . .
C22 K2 C29 165.88(8) . .
C33 K2 C29 43.67(8) . .
C18 K2 C29 147.86(8) . .
C30 K2 C29 24.91(8) . .
C34 K2 C29 24.67(8) . .
C17 K2 C29 168.77(8) . .
O1 Si1 N1 108.37(13) . .
O1 Si1 C13 107.97(18) . .
N1 Si1 C13 113.65(16) . .
O1 Si1 C14 104.7(2) . .
N1 Si1 C14 113.87(16) . .
C13 Si1 C14 107.7(2) . .
O1 Si2 N2 109.33(13) . .
O1 Si2 C15 112.7(9) . .
N2 Si2 C15 114.2(7) . .
O1 Si2 C15A 98.2(9) . .
N2 Si2 C15A 112.1(8) . .
O1 Si2 C16 106.92(18) . .
N2 Si2 C16 110.83(17) . .
C15 Si2 C16 102.5(8) . .
C15A Si2 C16 118.3(11) . .
O2 Si3 N3 108.48(13) . .
O2 Si3 C41 108.48(17) . .
N3 Si3 C41 113.85(16) . .
O2 Si3 C42 105.0(2) . .
N3 Si3 C42 114.17(16) . .
C41 Si3 C42 106.4(2) . .
O2 Si4 N4 109.56(13) . .
O2 Si4 C43 104.9(2) . .
N4 Si4 C43 112.6(2) . .
O2 Si4 C44 107.2(2) . .
N4 Si4 C44 110.93(17) . .
C43 Si4 C44 111.3(3) . .
Si2 O1 Si1 145.23(16) . .
Si3 O2 Si4 140.89(17) . .
C1 N1 Si1 126.7(2) . .
C1 N1 In1 108.38(19) . .
Si1 N1 In1 124.74(13) . .
C17 N2 Si2 125.0(2) . .
C17 N2 In1 113.30(19) . .
Si2 N2 In1 121.62(14) . .
C29 N3 Si3 125.7(2) . .
C29 N3 In2 107.37(19) . .
Si3 N3 In2 126.58(14) . .
C45 N4 Si4 125.7(2) . .
C45 N4 In2 114.01(19) . .
Si4 N4 In2 119.84(14) . .
N1 C1 C6 121.5(3) . .
N1 C1 C2 120.6(3) . .
C6 C1 C2 117.7(3) . .
N1 C1 K1 113.24(19) . .
C6 C1 K1 77.24(18) . .
C2 C1 K1 74.69(19) . .
C3 C2 C1 120.0(3) . .
C3 C2 C7A 118.6(3) . .
C1 C2 C7A 121.3(3) . .
C3 C2 C7 118.6(3) . .
C1 C2 C7 121.3(3) . .
C3 C2 K1 74.8(2) . .
C1 C2 K1 80.44(19) . .
C7A C2 K1 112.9(2) . .
C7 C2 K1 112.9(2) . .
C4 C3 C2 121.8(3) . .
C4 C3 K1 77.0(3) . .
C2 C3 K1 80.4(2) . .
C4 C3 H3 119.1 . .
C2 C3 H3 119.1 . .
K1 C3 H3 113.7 . .
C3 C4 C5 119.3(3) . .
C3 C4 K1 78.1(2) . .
C5 C4 K1 80.4(2) . .
C3 C4 H4 120.4 . .
C5 C4 H4 120.4 . .
K1 C4 H4 111.6 . .
C4 C5 C6 121.6(3) . .
C4 C5 K1 74.9(2) . .
C6 C5 K1 80.9(2) . .
C4 C5 H5 119.2 . .
C6 C5 H5 119.2 . .
K1 C5 H5 115.4 . .
C5 C6 C1 119.7(3) . .
C5 C6 C10 118.7(3) . .
C1 C6 C10 121.6(3) . .
C5 C6 K1 74.6(2) . .
C1 C6 K1 78.12(18) . .
C10 C6 K1 118.4(2) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C6 C10 C12 111.5(4) . .
C6 C10 C11 111.3(3) . .
C12 C10 C11 110.8(4) . .
C6 C10 H10 107.7 . .
C12 C10 H10 107.7 . .
C11 C10 H10 107.7 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
Si1 C13 H13A 109.5 . .
Si1 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
Si1 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
Si1 C14 H14A 109.5 . .
Si1 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
Si1 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
Si2 C16 H16A 109.5 . .
Si2 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
Si2 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N2 C17 C18 121.8(3) . .
N2 C17 C22 120.1(3) . .
C18 C17 C22 118.0(3) . .
N2 C17 K2 119.37(18) . .
C18 C17 K2 75.18(18) . .
C22 C17 K2 74.15(17) . .
C19 C18 C17 119.9(3) . .
C19 C18 C23 119.0(3) . .
C17 C18 C23 121.1(3) . .
C19 C18 K2 73.6(2) . .
C17 C18 K2 79.73(18) . .
C23 C18 K2 117.2(2) . .
C20 C19 C18 121.5(3) . .
C20 C19 K2 75.7(2) . .
C18 C19 K2 81.3(2) . .
C20 C19 H19 119.3 . .
C18 C19 H19 119.3 . .
K2 C19 H19 114 . .
C21 C20 C19 119.2(3) . .
C21 C20 K2 77.7(2) . .
C19 C20 K2 78.7(2) . .
C21 C20 H20 120.4 . .
C19 C20 H20 120.4 . .
K2 C20 H20 113.9 . .
C20 C21 C22 121.6(3) . .
C20 C21 K2 76.7(2) . .
C22 C21 K2 81.28(18) . .
C20 C21 H21 119.2 . .
C22 C21 H21 119.2 . .
K2 C21 H21 113 . .
C21 C22 C17 119.7(3) . .
C21 C22 C26 119.3(3) . .
C17 C22 C26 121.0(3) . .
C21 C22 K2 73.44(19) . .
C17 C22 K2 80.58(17) . .
C26 C22 K2 116.0(2) . .
C24 C23 C25 109.3(3) . .
C24 C23 C18 111.7(3) . .
C25 C23 C18 112.1(3) . .
C24 C23 H23 107.8 . .
C25 C23 H23 107.8 . .
C18 C23 H23 107.8 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C22 C26 C27 110.6(3) . .
C22 C26 C28 112.4(3) . .
C27 C26 C28 109.9(3) . .
C22 C26 H26 107.9 . .
C27 C26 H26 107.9 . .
C28 C26 H26 107.9 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
N3 C29 C34 121.0(3) . .
N3 C29 C30 120.7(3) . .
C34 C29 C30 118.0(3) . .
N3 C29 K2 113.69(19) . .
C34 C29 K2 76.45(19) . .
C30 C29 K2 75.21(18) . .
C31 C30 C29 120.1(3) . .
C31 C30 C35 118.5(3) . .
C29 C30 C35 121.3(3) . .
C31 C30 K2 75.2(2) . .
C29 C30 K2 79.88(18) . .
C35 C30 K2 112.4(2) . .
C32 C31 C30 121.5(3) . .
C32 C31 K2 77.3(2) . .
C30 C31 K2 80.0(2) . .
C32 C31 H31 119.2 . .
C30 C31 H31 119.2 . .
K2 C31 H31 113.8 . .
C33 C32 C31 119.0(3) . .
C33 C32 K2 79.0(2) . .
C31 C32 K2 77.7(2) . .
C33 C32 H32 120.5 . .
C31 C32 H32 120.5 . .
K2 C32 H32 113.5 . .
C32 C33 C34 121.5(3) . .
C32 C33 K2 76.3(2) . .
C34 C33 K2 79.9(2) . .
C32 C33 H33 119.3 . .
C34 C33 H33 119.3 . .
K2 C33 H33 114.9 . .
C33 C34 C29 119.9(3) . .
C33 C34 C38 118.0(3) . .
C29 C34 C38 122.1(3) . .
C33 C34 K2 75.2(2) . .
C29 C34 K2 78.88(19) . .
C38 C34 K2 115.6(2) . .
C37 C35 C30 113.1(4) . .
C37 C35 C36 111.0(5) . .
C30 C35 C36 109.5(3) . .
C37 C35 H35 107.7 . .
C30 C35 H35 107.7 . .
C36 C35 H35 107.7 . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C35 C37 H37A 109.5 . .
C35 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C35 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C34 C38 C40 111.6(4) . .
C34 C38 C39 111.7(3) . .
C40 C38 C39 110.6(3) . .
C34 C38 H38 107.6 . .
C40 C38 H38 107.6 . .
C39 C38 H38 107.6 . .
C38 C39 H39A 109.5 . .
C38 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C38 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C38 C40 H40A 109.5 . .
C38 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C38 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
Si3 C41 H41A 109.5 . .
Si3 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
Si3 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
Si3 C42 H42A 109.5 . .
Si3 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
Si3 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
Si4 C43 H43A 109.5 . .
Si4 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
Si4 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
Si4 C44 H44A 109.5 . .
Si4 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
Si4 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
N4 C45 C46 121.5(3) . .
N4 C45 C50 120.1(3) . .
C46 C45 C50 118.4(3) . .
N4 C45 K1 119.81(19) . .
C46 C45 K1 75.21(18) . .
C50 C45 K1 74.00(18) . .
C47 C46 C45 119.7(3) . .
C47 C46 C51 119.1(3) . .
C45 C46 C51 121.1(3) . .
C47 C46 K1 73.4(2) . .
C45 C46 K1 79.90(18) . .
C51 C46 K1 117.3(2) . .
C48 C47 C46 121.5(4) . .
C48 C47 K1 75.7(2) . .
C46 C47 K1 81.5(2) . .
C48 C47 H47 119.3 . .
C46 C47 H47 119.3 . .
K1 C47 H47 113.8 . .
C49 C48 C47 119.3(3) . .
C49 C48 K1 77.8(2) . .
C47 C48 K1 78.7(2) . .
C49 C48 H48 120.4 . .
C47 C48 H48 120.4 . .
K1 C48 H48 113.7 . .
C48 C49 C50 121.7(3) . .
C48 C49 K1 76.7(2) . .
C50 C49 K1 81.27(19) . .
C48 C49 H49 119.2 . .
C50 C49 H49 119.2 . .
K1 C49 H49 113.1 . .
C49 C50 C45 119.4(3) . .
C49 C50 C54 119.5(3) . .
C45 C50 C54 121.1(3) . .
C49 C50 K1 73.5(2) . .
C45 C50 K1 80.82(18) . .
C54 C50 K1 115.5(2) . .
C46 C51 C52 113.2(3) . .
C46 C51 C53 111.6(3) . .
C52 C51 C53 108.8(4) . .
C46 C51 H51 107.6 . .
C52 C51 H51 107.6 . .
C53 C51 H51 107.6 . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C51 C53 H53A 109.5 . .
C51 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C51 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C50 C54 C55 110.4(3) . .
C50 C54 C56 112.3(4) . .
C55 C54 C56 109.9(4) . .
C50 C54 H54 108 . .
C55 C54 H54 108 . .
C56 C54 H54 108 . .
C54 C55 H55A 109.5 . .
C54 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C54 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C54 C56 H56A 109.5 . .
C54 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C54 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C58 C57 H57A 109.5 . .
C58 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
C58 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C59 C58 C57 114.8(10) . .
C59 C58 H58A 108.6 . .
C57 C58 H58A 108.6 . .
C59 C58 H58B 108.6 . .
C57 C58 H58B 108.6 . .
H58A C58 H58B 107.5 . .
C58 C59 C59 120.6(10) . 7_565
C58 C59 H59A 107.2 . .
C59 C59 H59A 107.2 7_565 .
C58 C59 H59B 107.2 . .
C59 C59 H59B 107.2 7_565 .
H59A C59 H59B 106.8 . .
C2 C7 C8 109.7(4) . .
C2 C7 C9 118.3(13) . .
C8 C7 C9 100.6(11) . .
C2 C7 H7 109.2 . .
C8 C7 H7 109.2 . .
C9 C7 H7 109.2 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C2 C7A C8 109.7(4) . .
C2 C7A C9A 107.7(11) . .
C8 C7A C9A 121.0(13) . .
C2 C7A H7A 105.8 . .
C8 C7A H7A 105.8 . .
C9A C7A H7A 105.8 . .
C7A C9A H9A1 109.5 . .
C7A C9A H9A2 109.5 . .
H9A1 C9A H9A2 109.5 . .
C7A C9A H9A3 109.5 . .
H9A1 C9A H9A3 109.5 . .
H9A2 C9A H9A3 109.5 . .
Si2 C15 H15A 109.5 . .
Si2 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
Si2 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
Si2 C15A H15D 109.5 . .
Si2 C15A H15E 109.5 . .
H15D C15A H15E 109.5 . .
Si2 C15A H15F 109.5 . .
H15D C15A H15F 109.5 . .
H15E C15A H15F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
In1 N2 2.193(2) .
In1 N1 2.222(3) .
In1 K1 3.5766(8) .
In1 K2 3.9780(9) .
In2 N4 2.182(3) .
In2 N3 2.240(3) .
In2 K2 3.5510(8) .
In2 K1 4.0327(9) .
K1 C48 3.118(4) .
K1 C49 3.131(3) .
K1 C47 3.155(4) .
K1 C4 3.189(4) .
K1 C3 3.202(4) .
K1 C50 3.229(3) .
K1 C5 3.256(4) .
K1 C46 3.256(3) .
K1 C2 3.273(4) .
K1 C45 3.316(3) .
K1 C6 3.335(3) .
K1 C1 3.346(3) .
K2 C20 3.109(4) .
K2 C21 3.121(3) .
K2 C19 3.146(4) .
K2 C32 3.200(4) .
K2 C31 3.205(4) .
K2 C22 3.218(3) .
K2 C33 3.234(4) .
K2 C18 3.242(3) .
K2 C30 3.265(3) .
K2 C34 3.293(4) .
K2 C17 3.300(3) .
K2 C29 3.324(3) .
Si1 O1 1.626(2) .
Si1 N1 1.700(3) .
Si1 C13 1.857(4) .
Si1 C14 1.868(4) .
Si2 O1 1.618(3) .
Si2 N2 1.690(3) .
Si2 C15 1.868(11) .
Si2 C15A 1.874(11) .
Si2 C16 1.875(4) .
Si3 O2 1.624(2) .
Si3 N3 1.699(3) .
Si3 C41 1.856(4) .
Si3 C42 1.875(4) .
Si4 O2 1.641(3) .
Si4 N4 1.687(3) .
Si4 C43 1.839(5) .
Si4 C44 1.866(4) .
N1 C1 1.401(4) .
N2 C17 1.397(4) .
N3 C29 1.410(4) .
N4 C45 1.398(4) .
C1 C6 1.425(4) .
C1 C2 1.427(5) .
C2 C3 1.393(5) .
C2 C7A 1.510(5) .
C2 C7 1.510(5) .
C3 C4 1.376(6) .
C3 H3 0.95 .
C4 C5 1.379(6) .
C4 H4 0.95 .
C5 C6 1.403(5) .
C5 H5 0.95 .
C6 C10 1.514(5) .
C8 C7A 1.526(7) .
C8 C7 1.526(7) .
C8 H8A 0.98 .
C8 H8B 0.98 .
C8 H8C 0.98 .
C10 C12 1.522(6) .
C10 C11 1.535(6) .
C10 H10 1 .
C11 H11A 0.98 .
C11 H11B 0.98 .
C11 H11C 0.98 .
C12 H12A 0.98 .
C12 H12B 0.98 .
C12 H12C 0.98 .
C13 H13A 0.98 .
C13 H13B 0.98 .
C13 H13C 0.98 .
C14 H14A 0.98 .
C14 H14B 0.98 .
C14 H14C 0.98 .
C16 H16A 0.98 .
C16 H16B 0.98 .
C16 H16C 0.98 .
C17 C18 1.422(4) .
C17 C22 1.428(4) .
C18 C19 1.393(5) .
C18 C23 1.521(4) .
C19 C20 1.385(5) .
C19 H19 0.95 .
C20 C21 1.381(5) .
C20 H20 0.95 .
C21 C22 1.391(5) .
C21 H21 0.95 .
C22 C26 1.516(5) .
C23 C24 1.518(5) .
C23 C25 1.518(5) .
C23 H23 1 .
C24 H24A 0.98 .
C24 H24B 0.98 .
C24 H24C 0.98 .
C25 H25A 0.98 .
C25 H25B 0.98 .
C25 H25C 0.98 .
C26 C27 1.530(6) .
C26 C28 1.539(5) .
C26 H26 1 .
C27 H27A 0.98 .
C27 H27B 0.98 .
C27 H27C 0.98 .
C28 H28A 0.98 .
C28 H28B 0.98 .
C28 H28C 0.98 .
C29 C34 1.414(5) .
C29 C30 1.422(4) .
C30 C31 1.394(5) .
C30 C35 1.514(5) .
C31 C32 1.385(6) .
C31 H31 0.95 .
C32 C33 1.380(6) .
C32 H32 0.95 .
C33 C34 1.406(5) .
C33 H33 0.95 .
C34 C38 1.518(5) .
C35 C37 1.514(6) .
C35 C36 1.536(7) .
C35 H35 1 .
C36 H36A 0.98 .
C36 H36B 0.98 .
C36 H36C 0.98 .
C37 H37A 0.98 .
C37 H37B 0.98 .
C37 H37C 0.98 .
C38 C40 1.528(6) .
C38 C39 1.534(6) .
C38 H38 1 .
C39 H39A 0.98 .
C39 H39B 0.98 .
C39 H39C 0.98 .
C40 H40A 0.98 .
C40 H40B 0.98 .
C40 H40C 0.98 .
C41 H41A 0.98 .
C41 H41B 0.98 .
C41 H41C 0.98 .
C42 H42A 0.98 .
C42 H42B 0.98 .
C42 H42C 0.98 .
C43 H43A 0.98 .
C43 H43B 0.98 .
C43 H43C 0.98 .
C44 H44A 0.98 .
C44 H44B 0.98 .
C44 H44C 0.98 .
C45 C46 1.418(5) .
C45 C50 1.429(5) .
C46 C47 1.395(5) .
C46 C51 1.518(5) .
C47 C48 1.386(6) .
C47 H47 0.95 .
C48 C49 1.380(6) .
C48 H48 0.95 .
C49 C50 1.394(5) .
C49 H49 0.95 .
C50 C54 1.515(5) .
C51 C52 1.519(5) .
C51 C53 1.523(6) .
C51 H51 1 .
C52 H52A 0.98 .
C52 H52B 0.98 .
C52 H52C 0.98 .
C53 H53A 0.98 .
C53 H53B 0.98 .
C53 H53C 0.98 .
C54 C55 1.525(6) .
C54 C56 1.531(6) .
C54 H54 1 .
C55 H55A 0.98 .
C55 H55B 0.98 .
C55 H55C 0.98 .
C56 H56A 0.98 .
C56 H56B 0.98 .
C56 H56C 0.98 .
C57 C58 1.566(14) .
C57 H57A 0.98 .
C57 H57B 0.98 .
C57 H57C 0.98 .
C58 C59 1.398(12) .
C58 H58A 0.99 .
C58 H58B 0.99 .
C59 C59 1.531(16) 7_565
C59 H59A 0.99 .
C59 H59B 0.99 .
C7 C9 1.534(13) .
C7 H7 1 .
C9 H9A 0.98 .
C9 H9B 0.98 .
C9 H9C 0.98 .
C7A C9A 1.564(12) .
C7A H7A 1 .
C9A H9A1 0.98 .
C9A H9A2 0.98 .
C9A H9A3 0.98 .
C15 H15A 0.98 .
C15 H15B 0.98 .
C15 H15C 0.98 .
C15A H15D 0.98 .
C15A H15E 0.98 .
C15A H15F 0.98 .
