#------------------------------------------------------------------------------
#$Date: 2018-11-13 01:24:40 +0200 (Tue, 13 Nov 2018) $
#$Revision: 211906 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/02/1550228.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_1550228
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         'C36 H66 K2 N2 O3 Si2'
_chemical_formula_sum            'C36 H66 K2 N2 O3 Si2'
_chemical_formula_weight         709.28
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -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             2015-05-20T17:50:42-00:00
_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                93.171(4)
_cell_angle_beta                 96.478(4)
_cell_angle_gamma                92.102(4)
_cell_formula_units_Z            2
_cell_length_a                   10.0422(4)
_cell_length_b                   11.9620(6)
_cell_length_c                   17.7445(10)
_cell_measurement_reflns_used    3927
_cell_measurement_temperature    120.01(10)
_cell_measurement_theta_max      28.517
_cell_measurement_theta_min      3.778
_cell_measurement_wavelength     0.71073
_cell_volume                     2112.72(18)
_computing_cell_refinement
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
        (compiled Feb  9 2015,16:26:32)
;
_computing_data_collection
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
        (compiled Feb  9 2015,16:26:32)
;
_computing_data_reduction
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
        (compiled Feb  9 2015,16:26:32)
;
_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      120.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1712
_diffrn_measured_fraction_theta_full 0.9871
_diffrn_measured_fraction_theta_max 0.8209
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0082073
_diffrn_orient_matrix_UB_12      -0.0583648
_diffrn_orient_matrix_UB_13      -0.0058406
_diffrn_orient_matrix_UB_21      0.0081422
_diffrn_orient_matrix_UB_22      0.007301
_diffrn_orient_matrix_UB_23      -0.038637
_diffrn_orient_matrix_UB_31      0.070207
_diffrn_orient_matrix_UB_32      0.0085821
_diffrn_orient_matrix_UB_33      0.0098651
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_unetI/netI     0.0681
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.821
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            15308
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.821
_diffrn_reflns_theta_full        26.3154
_diffrn_reflns_theta_max         29.2917
_diffrn_reflns_theta_min         3.3452
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.312
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.958
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
        (compiled Feb  9 2015,16:26:32)
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_density_diffrn    1.115
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.2348
_exptl_crystal_size_mid          0.1728
_exptl_crystal_size_min          0.0389
_refine_diff_density_max         0.445
_refine_diff_density_min         -0.296
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     406
_refine_ls_number_reflns         9496
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.1066
_refine_ls_R_factor_gt           0.0646
_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)+(0.0633P)²+1.1161P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1375
_refine_ls_wR_factor_ref         0.1593
_reflns_number_gt                6409
_reflns_number_total             9496
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8sc04078h2.cif
_cod_data_source_block           1-(Et2O)2
_cod_original_cell_volume        2112.73(18)
_cod_database_code               1550228
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_calc_flag
K1 K 0.87143(7) 0.68100(5) 0.19563(4) 0.03397(18) Uani 1 d
K2 K 0.77297(8) 0.21609(5) 0.30513(4) 0.0383(2) Uani 1 d
Si1 Si 0.68797(8) 0.79479(6) 0.33117(5) 0.02525(19) Uani 1 d
Si2 Si 0.71671(8) 0.53866(6) 0.36276(5) 0.0280(2) Uani 1 d
O1 O 0.73186(18) 0.66275(15) 0.32669(11) 0.0251(4) Uani 1 d
O2 O 0.9978(2) 0.78085(18) 0.08798(12) 0.0352(5) Uani 1 d
O3 O 0.6575(2) 0.18780(19) 0.43199(14) 0.0464(6) Uani 1 d
N1 N 0.7512(2) 0.85336(18) 0.26041(13) 0.0261(5) Uani 1 d
N2 N 0.7702(2) 0.44010(19) 0.30586(14) 0.0320(6) Uani 1 d
C1 C 0.7850(3) 0.9495(2) 0.22992(15) 0.0223(6) Uani 1 d
C2 C 0.6922(3) 1.0034(2) 0.17729(17) 0.0280(6) Uani 1 d
C3 C 0.7330(3) 1.0953(2) 0.13986(17) 0.0335(7) Uani 1 d
H3 H 0.6701 1.1282 0.1045 0.04 Uiso 1 calc
C4 C 0.8636(3) 1.1403(2) 0.15283(18) 0.0373(8) Uani 1 d
H4 H 0.8899 1.2038 0.1273 0.045 Uiso 1 calc
C5 C 0.9543(3) 1.0909(2) 0.20352(18) 0.0341(7) Uani 1 d
H5 H 1.0442 1.1205 0.2118 0.041 Uiso 1 calc
C6 C 0.9185(3) 0.9991(2) 0.24309(16) 0.0263(6) Uani 1 d
C7 C 0.5513(3) 0.9512(3) 0.1583(2) 0.0400(8) Uani 1 d
H7 H 0.5272 0.9145 0.2045 0.048 Uiso 1 calc
C8 C 0.4447(4) 1.0358(4) 0.1379(3) 0.0664(12) Uani 1 d
H8C H 0.4476 1.0942 0.1791 0.1 Uiso 1 calc
H8B H 0.4623 1.0701 0.0909 0.1 Uiso 1 calc
H8A H 0.3559 0.9975 0.1305 0.1 Uiso 1 calc
C9 C 0.5480(4) 0.8607(4) 0.0952(3) 0.0657(12) Uani 1 d
H9C H 0.4566 0.828 0.0836 0.099 Uiso 1 calc
H9B H 0.5763 0.8932 0.0497 0.099 Uiso 1 calc
H9A H 0.6091 0.8023 0.1112 0.099 Uiso 1 calc
C10 C 1.0222(3) 0.9508(3) 0.29984(18) 0.0328(7) Uani 1 d
H10 H 0.9818 0.8795 0.3158 0.039 Uiso 1 calc
C11 C 1.0536(4) 1.0288(3) 0.3710(2) 0.0534(10) Uani 1 d
H11C H 1.1206 0.9956 0.4066 0.08 Uiso 1 calc
H11B H 1.0889 1.1013 0.3571 0.08 Uiso 1 calc
H11A H 0.9715 1.0395 0.3951 0.08 Uiso 1 calc
C12 C 1.1501(3) 0.9219(4) 0.2661(2) 0.0592(11) Uani 1 d
H12C H 1.2132 0.8912 0.305 0.089 Uiso 1 calc
H12B H 1.1288 0.8661 0.2234 0.089 Uiso 1 calc
H12A H 1.1907 0.9897 0.248 0.089 Uiso 1 calc
C13 C 0.7498(4) 0.8599(3) 0.42744(18) 0.0406(8) Uani 1 d
H13C H 0.7075 0.8203 0.466 0.061 Uiso 1 calc
H13B H 0.8474 0.8547 0.4366 0.061 Uiso 1 calc
H13A H 0.7269 0.9388 0.4302 0.061 Uiso 1 calc
C14 C 0.4999(3) 0.7912(3) 0.3265(2) 0.0401(8) Uani 1 d
H14C H 0.4721 0.755 0.3707 0.06 Uiso 1 calc
H14B H 0.4688 0.8679 0.3263 0.06 Uiso 1 calc
H14A H 0.4607 0.7488 0.2799 0.06 Uiso 1 calc
C15 C 0.8139(4) 0.5497(3) 0.45981(18) 0.0488(9) Uani 1 d
H15C H 0.7783 0.6091 0.4911 0.073 Uiso 1 calc
H15B H 0.8056 0.4782 0.4836 0.073 Uiso 1 calc
H15A H 0.9086 0.5676 0.4554 0.073 Uiso 1 calc
C16 C 0.5382(3) 0.5109(3) 0.3807(2) 0.0474(9) Uani 1 d
H16C H 0.5111 0.5713 0.4146 0.071 Uiso 1 calc
H16B H 0.4798 0.5076 0.3324 0.071 Uiso 1 calc
H16A H 0.5304 0.4393 0.4045 0.071 Uiso 1 calc
C17 C 0.8185(3) 0.4403(2) 0.23705(17) 0.0298(7) Uani 1 d
C18 C 0.9596(3) 0.4371(2) 0.23222(18) 0.0312(7) Uani 1 d
C19 C 1.0079(4) 0.4379(3) 0.1620(2) 0.0397(8) Uani 1 d
H19 H 1.1019 0.4364 0.1598 0.048 Uiso 1 calc
C20 C 0.9241(4) 0.4406(3) 0.0954(2) 0.0474(10) Uani 1 d
H20 H 0.9597 0.4425 0.0481 0.057 Uiso 1 calc
C21 C 0.7871(4) 0.4407(3) 0.0985(2) 0.0464(9) Uani 1 d
H21 H 0.729 0.4422 0.0524 0.056 Uiso 1 calc
C22 C 0.7317(3) 0.4388(2) 0.16680(19) 0.0360(7) Uani 1 d
C23 C 1.0561(3) 0.4407(3) 0.30414(19) 0.0383(8) Uani 1 d
H23 H 1.0055 0.4128 0.3452 0.046 Uiso 1 calc
C24 C 1.1775(4) 0.3677(3) 0.2998(3) 0.0650(12) Uani 1 d
H24C H 1.2347 0.3749 0.3485 0.098 Uiso 1 calc
H24B H 1.1466 0.2892 0.2886 0.098 Uiso 1 calc
H24A H 1.2289 0.3923 0.2594 0.098 Uiso 1 calc
C25 C 1.1047(4) 0.5609(3) 0.3279(2) 0.0494(9) Uani 1 d
H25C H 1.1672 0.5619 0.3745 0.074 Uiso 1 calc
H25B H 1.1505 0.5923 0.2874 0.074 Uiso 1 calc
H25A H 1.0278 0.6058 0.337 0.074 Uiso 1 calc
C26 C 0.5809(3) 0.4363(3) 0.1682(2) 0.0482(9) Uani 1 d
H26 H 0.5623 0.4086 0.2183 0.058 Uiso 1 calc
C27 C 0.5024(5) 0.3590(4) 0.1067(4) 0.105(2) Uani 1 d
H27A H 0.5371 0.2836 0.1089 0.158 Uiso 1 calc
H27B H 0.4074 0.356 0.1148 0.158 Uiso 1 calc
H27C H 0.512 0.3875 0.0568 0.158 Uiso 1 calc
C28 C 0.5243(4) 0.5508(3) 0.1627(3) 0.0667(12) Uani 1 d
H28A H 0.427 0.5449 0.1639 0.1 Uiso 1 calc
H28B H 0.5652 0.6002 0.2057 0.1 Uiso 1 calc
H28C H 0.544 0.5819 0.115 0.1 Uiso 1 calc
C29 C 0.9155(3) 0.8590(3) 0.0499(2) 0.0446(9) Uani 1 d
H29B H 0.9719 0.9249 0.0398 0.054 Uiso 1 calc
H29A H 0.849 0.885 0.0833 0.054 Uiso 1 calc
C30 C 0.8443(4) 0.8107(5) -0.0227(2) 0.0775(15) Uani 1 d
H30C H 0.789 0.8675 -0.0469 0.116 Uiso 1 calc
H30B H 0.9098 0.7862 -0.0564 0.116 Uiso 1 calc
H30A H 0.7868 0.7463 -0.0129 0.116 Uiso 1 calc
C31 C 1.1258(3) 0.7768(3) 0.06313(19) 0.0386(8) Uani 1 d
H31B H 1.1739 0.8507 0.0737 0.046 Uiso 1 calc
H31A H 1.1171 0.7585 0.0077 0.046 Uiso 1 calc
C32 C 1.2032(3) 0.6887(3) 0.1042(2) 0.0489(9) Uani 1 d
H32C H 1.2926 0.6854 0.0871 0.073 Uiso 1 calc
H32B H 1.2121 0.7076 0.159 0.073 Uiso 1 calc
H32A H 1.1555 0.6157 0.0931 0.073 Uiso 1 calc
C33 C 0.5193(4) 0.1686(4) 0.4310(3) 0.0759(15) Uani 1 d
H33B H 0.4801 0.2341 0.4554 0.091 Uiso 1 calc
H33A H 0.5011 0.1022 0.4597 0.091 Uiso 1 calc
C34 C 0.4577(5) 0.1498(4) 0.3512(4) 0.099(2) Uani 1 d
H34C H 0.3607 0.1363 0.3502 0.149 Uiso 1 calc
H34B H 0.4754 0.2161 0.3233 0.149 Uiso 1 calc
H34A H 0.4963 0.0846 0.3275 0.149 Uiso 1 calc
C35 C 0.7245(5) 0.2135(4) 0.5071(2) 0.0702(13) Uani 1 d
H35B H 0.707 0.1517 0.54 0.084 Uiso 1 calc
H35A H 0.6897 0.2828 0.5292 0.084 Uiso 1 calc
C36 C 0.8700(5) 0.2289(4) 0.5037(3) 0.0806(15) Uani 1 d
H36C H 0.9155 0.2464 0.555 0.121 Uiso 1 calc
H36B H 0.9043 0.1598 0.4823 0.121 Uiso 1 calc
H36A H 0.887 0.2906 0.4715 0.121 Uiso 1 calc
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 0 '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 0.006 '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'
K K 0.2009 0.2494 '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
7 -2 20 0.113
4 16 -2 0.0272
7 8 -20 0.0819
-7 -8 20 0.0752
4 -6 22 0.0833
13 5 -10 0.0838
-10 3 -15 0.059
-5 -16 4 0.0042
-1 -4 25 0.1018
-10 -4 19 0.1086
-14 -2 2 0.0812
-7 2 -20 0.0753
6 4 -23 0.0839
-2 -16 5 0.0235
13 4 -11 0.0743
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
N1 K1 O2 102.56(7) . .
N1 K1 O1 56.48(6) . .
O2 K1 O1 158.33(6) . .
N1 K1 C17 121.25(7) . .
O2 K1 C17 135.68(7) . .
O1 K1 C17 65.92(7) . .
N1 K1 C18 139.21(8) . .
O2 K1 C18 115.97(7) . .
O1 K1 C18 83.54(7) . .
C17 K1 C18 26.55(8) . .
N1 K1 C22 122.14(8) . .
O2 K1 C22 122.14(8) . .
O1 K1 C22 77.86(7) . .
C17 K1 C22 26.67(8) . .
C18 K1 C22 45.55(8) . .
N1 K1 C21 138.80(9) . .
O2 K1 C21 97.49(8) . .
O1 K1 C21 102.55(8) . .
C17 K1 C21 45.04(8) . .
C18 K1 C21 50.90(9) . .
C22 K1 C21 24.74(8) . .
N1 K1 C19 163.82(8) . .
O2 K1 C19 92.58(7) . .
O1 K1 C19 107.81(7) . .
C17 K1 C19 44.88(8) . .
C18 K1 C19 24.62(7) . .
C22 K1 C19 50.87(8) . .
C21 K1 C19 42.05(9) . .
N1 K1 C20 162.48(9) . .
O2 K1 C20 84.21(7) . .
O1 K1 C20 117.43(7) . .
C17 K1 C20 51.94(8) . .
C18 K1 C20 43.15(8) . .
C22 K1 C20 43.33(9) . .
C21 K1 C20 23.83(9) . .
C19 K1 C20 23.61(8) . .
N1 K1 C1 21.88(6) . .
O2 K1 C1 80.73(6) . .
O1 K1 C1 78.10(6) . .
C17 K1 C1 143.08(7) . .
C18 K1 C1 157.99(7) . .
C22 K1 C1 138.86(8) . .
C21 K1 C1 145.52(9) . .
C19 K1 C1 170.26(8) . .
C20 K1 C1 158.79(8) . .
N1 K1 Si1 27.89(5) . .
O2 K1 Si1 130.29(5) . .
O1 K1 Si1 28.59(4) . .
C17 K1 Si1 93.91(6) . .
C18 K1 Si1 111.84(6) . .
C22 K1 Si1 100.68(6) . .
C21 K1 Si1 123.47(7) . .
C19 K1 Si1 136.32(6) . .
C20 K1 Si1 143.59(6) . .
C1 K1 Si1 49.60(4) . .
N1 K1 C29 85.79(7) . .
O2 K1 C29 22.19(7) . .
O1 K1 C29 141.41(7) . .
C17 K1 C29 146.20(9) . .
C18 K1 C29 134.84(8) . .
C22 K1 C29 123.17(9) . .
C21 K1 C29 101.45(9) . .
C19 K1 C29 110.28(8) . .
C20 K1 C29 96.02(8) . .
C1 K1 C29 65.10(7) . .
Si1 K1 C29 113.32(6) . .
O3 K2 N2 98.46(7) . .
O3 K2 C17 124.96(7) . .
N2 K2 C17 26.63(7) . .
O3 K2 C4 154.69(8) . 1_545
N2 K2 C4 105.53(8) . 1_545
C17 K2 C4 78.94(8) . 1_545
O3 K2 C5 139.40(8) . 1_545
N2 K2 C5 119.10(8) . 1_545
C17 K2 C5 93.98(8) . 1_545
C4 K2 C5 26.02(8) 1_545 1_545
O3 K2 C3 133.69(8) . 1_545
N2 K2 C3 113.81(8) . 1_545
C17 K2 C3 90.11(8) . 1_545
C4 K2 C3 25.70(8) 1_545 1_545
C5 K2 C3 44.75(8) 1_545 1_545
O3 K2 C6 114.63(7) . 1_545
N2 K2 C6 144.01(7) . 1_545
C17 K2 C6 119.39(7) . 1_545
C4 K2 C6 45.39(8) 1_545 1_545
C5 K2 C6 25.41(7) 1_545 1_545
C3 K2 C6 51.63(8) 1_545 1_545
O3 K2 C2 111.32(7) . 1_545
N2 K2 C2 136.01(8) . 1_545
C17 K2 C2 114.27(8) . 1_545
C4 K2 C2 44.41(7) 1_545 1_545
C5 K2 C2 51.21(8) 1_545 1_545
C3 K2 C2 24.51(7) 1_545 1_545
C6 K2 C2 43.65(7) 1_545 1_545
O3 K2 C1 102.90(7) . 1_545
N2 K2 C1 156.96(7) . 1_545
C17 K2 C1 130.91(7) . 1_545
C4 K2 C1 52.24(7) 1_545 1_545
C5 K2 C1 44.21(7) 1_545 1_545
C3 K2 C1 43.80(7) 1_545 1_545
C6 K2 C1 24.84(7) 1_545 1_545
C2 K2 C1 24.67(7) 1_545 1_545
N1 Si1 O1 105.74(10) . .
N1 Si1 C13 114.72(14) . .
O1 Si1 C13 108.78(13) . .
N1 Si1 C14 115.53(13) . .
O1 Si1 C14 106.56(13) . .
C13 Si1 C14 105.13(16) . .
N1 Si1 K1 49.93(8) . .
O1 Si1 K1 55.82(6) . .
C13 Si1 K1 128.48(11) . .
C14 Si1 K1 126.15(12) . .
N2 Si2 O1 110.23(11) . .
N2 Si2 C15 112.82(15) . .
O1 Si2 C15 106.96(14) . .
N2 Si2 C16 112.45(15) . .
O1 Si2 C16 109.59(13) . .
C15 Si2 C16 104.50(17) . .
N2 Si2 K1 71.07(8) . .
O1 Si2 K1 39.53(6) . .
C15 Si2 K1 118.70(12) . .
C16 Si2 K1 131.57(12) . .
Si1 O1 Si2 145.39(12) . .
Si1 O1 K1 95.59(8) . .
Si2 O1 K1 118.84(9) . .
C31 O2 C29 112.9(2) . .
C31 O2 K1 135.53(18) . .
C29 O2 K1 111.54(17) . .
C33 O3 C35 112.9(3) . .
C33 O3 K2 122.3(3) . .
C35 O3 K2 123.6(2) . .
C1 N1 Si1 146.6(2) . .
C1 N1 K1 109.90(16) . .
Si1 N1 K1 102.18(10) . .
C17 N2 Si2 133.79(19) . .
C17 N2 K2 91.67(15) . .
Si2 N2 K2 134.29(12) . .
N1 C1 C6 122.0(2) . .
N1 C1 C2 121.7(3) . .
C6 C1 C2 116.1(2) . .
N1 C1 K1 48.23(13) . .
C6 C1 K1 97.24(15) . .
C2 C1 K1 121.53(18) . .
N1 C1 K2 128.06(17) . 1_565
C6 C1 K2 70.82(14) . 1_565
C2 C1 K2 74.87(15) . 1_565
K1 C1 K2 163.37(10) . 1_565
C3 C2 C1 121.0(3) . .
C3 C2 C7 120.4(3) . .
C1 C2 C7 118.4(2) . .
C3 C2 K2 71.53(18) . 1_565
C1 C2 K2 80.47(16) . 1_565
C7 C2 K2 124.04(19) . 1_565
C2 C3 C4 121.5(3) . .
C2 C3 K2 83.96(18) . 1_565
C4 C3 K2 72.15(18) . 1_565
C2 C3 H3 119.2 . .
C4 C3 H3 119.2 . .
K2 C3 H3 114.9 1_565 .
C5 C4 C3 118.6(3) . .
C5 C4 K2 77.98(18) . 1_565
C3 C4 K2 82.15(17) . 1_565
C5 C4 H4 120.7 . .
C3 C4 H4 120.7 . .
K2 C4 H4 109.7 1_565 .
C4 C5 C6 122.2(3) . .
C4 C5 K2 76.00(17) . 1_565
C6 C5 K2 83.43(16) . 1_565
C4 C5 H5 118.9 . .
C6 C5 H5 118.9 . .
K2 C5 H5 111.6 1_565 .
C5 C6 C1 120.4(3) . .
C5 C6 C10 119.6(3) . .
C1 C6 C10 120.0(2) . .
C5 C6 K2 71.17(16) . 1_565
C1 C6 K2 84.34(15) . 1_565
C10 C6 K2 115.59(18) . 1_565
C9 C7 C2 110.5(3) . .
C9 C7 C8 110.1(3) . .
C2 C7 C8 113.9(3) . .
C9 C7 H7 107.4 . .
C2 C7 H7 107.4 . .
C8 C7 H7 107.4 . .
C7 C8 H8C 109.5 . .
C7 C8 H8B 109.5 . .
H8C C8 H8B 109.5 . .
C7 C8 H8A 109.5 . .
H8C C8 H8A 109.5 . .
H8B C8 H8A 109.5 . .
C7 C9 H9C 109.5 . .
C7 C9 H9B 109.5 . .
H9C C9 H9B 109.5 . .
C7 C9 H9A 109.5 . .
H9C C9 H9A 109.5 . .
H9B C9 H9A 109.5 . .
C6 C10 C12 112.9(3) . .
C6 C10 C11 111.2(3) . .
C12 C10 C11 110.8(3) . .
C6 C10 H10 107.2 . .
C12 C10 H10 107.2 . .
C11 C10 H10 107.2 . .
C10 C11 H11C 109.5 . .
C10 C11 H11B 109.5 . .
H11C C11 H11B 109.5 . .
C10 C11 H11A 109.5 . .
H11C C11 H11A 109.5 . .
H11B C11 H11A 109.5 . .
C10 C12 H12C 109.5 . .
C10 C12 H12B 109.5 . .
H12C C12 H12B 109.5 . .
C10 C12 H12A 109.5 . .
H12C C12 H12A 109.5 . .
H12B C12 H12A 109.5 . .
Si1 C13 H13C 109.5 . .
Si1 C13 H13B 109.5 . .
H13C C13 H13B 109.5 . .
Si1 C13 H13A 109.5 . .
H13C C13 H13A 109.5 . .
H13B C13 H13A 109.5 . .
Si1 C14 H14C 109.5 . .
Si1 C14 H14B 109.5 . .
H14C C14 H14B 109.5 . .
Si1 C14 H14A 109.5 . .
H14C C14 H14A 109.5 . .
H14B C14 H14A 109.5 . .
Si2 C15 H15C 109.5 . .
Si2 C15 H15B 109.5 . .
H15C C15 H15B 109.5 . .
Si2 C15 H15A 109.5 . .
H15C C15 H15A 109.5 . .
H15B C15 H15A 109.5 . .
Si2 C16 H16C 109.5 . .
Si2 C16 H16B 109.5 . .
H16C C16 H16B 109.5 . .
Si2 C16 H16A 109.5 . .
H16C C16 H16A 109.5 . .
H16B C16 H16A 109.5 . .
N2 C17 C18 120.5(3) . .
N2 C17 C22 122.2(3) . .
C18 C17 C22 117.2(3) . .
N2 C17 K2 61.71(13) . .
C18 C17 K2 99.49(17) . .
C22 C17 K2 106.91(18) . .
N2 C17 K1 109.93(16) . .
C18 C17 K1 80.91(16) . .
C22 C17 K1 80.92(16) . .
K2 C17 K1 170.62(12) . .
C19 C18 C17 120.1(3) . .
C19 C18 C23 120.1(3) . .
C17 C18 C23 119.7(3) . .
C19 C18 K1 83.88(18) . .
C17 C18 K1 72.55(15) . .
C23 C18 K1 110.47(18) . .
C20 C19 C18 122.1(3) . .
C20 C19 K1 81.18(19) . .
C18 C19 K1 71.50(17) . .
C20 C19 H19 118.9 . .
C18 C19 H19 118.9 . .
K1 C19 H19 119.1 . .
C19 C20 C21 118.9(3) . .
C19 C20 K1 75.21(18) . .
C21 C20 K1 74.62(19) . .
C19 C20 H20 120.6 . .
C21 C20 H20 120.6 . .
K1 C20 H20 120.8 . .
C20 C21 C22 122.1(3) . .
C20 C21 K1 81.6(2) . .
C22 C21 K1 72.07(18) . .
C20 C21 H21 119 . .
C22 C21 H21 119 . .
K1 C21 H21 118 . .
C21 C22 C17 119.6(3) . .
C21 C22 C26 120.9(3) . .
C17 C22 C26 119.5(3) . .
C21 C22 K1 83.20(19) . .
C17 C22 K1 72.41(15) . .
C26 C22 K1 114.06(19) . .
C18 C23 C25 110.4(3) . .
C18 C23 C24 114.8(3) . .
C25 C23 C24 109.3(3) . .
C18 C23 H23 107.4 . .
C25 C23 H23 107.4 . .
C24 C23 H23 107.4 . .
C23 C24 H24C 109.5 . .
C23 C24 H24B 109.5 . .
H24C C24 H24B 109.5 . .
C23 C24 H24A 109.5 . .
H24C C24 H24A 109.5 . .
H24B C24 H24A 109.5 . .
C23 C25 H25C 109.5 . .
C23 C25 H25B 109.5 . .
H25C C25 H25B 109.5 . .
C23 C25 H25A 109.5 . .
H25C C25 H25A 109.5 . .
H25B C25 H25A 109.5 . .
C28 C26 C22 112.5(3) . .
C28 C26 C27 107.6(3) . .
C22 C26 C27 114.5(3) . .
C28 C26 H26 107.3 . .
C22 C26 H26 107.3 . .
C27 C26 H26 107.3 . .
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 . .
O2 C29 C30 112.4(3) . .
O2 C29 K1 46.28(13) . .
C30 C29 K1 110.1(3) . .
O2 C29 H29B 109.1 . .
C30 C29 H29B 109.1 . .
K1 C29 H29B 139.8 . .
O2 C29 H29A 109.1 . .
C30 C29 H29A 109.1 . .
K1 C29 H29A 66.7 . .
H29B C29 H29A 107.9 . .
C29 C30 H30C 109.5 . .
C29 C30 H30B 109.5 . .
H30C C30 H30B 109.5 . .
C29 C30 H30A 109.5 . .
H30C C30 H30A 109.5 . .
H30B C30 H30A 109.5 . .
O2 C31 C32 109.0(3) . .
O2 C31 H31B 109.9 . .
C32 C31 H31B 109.9 . .
O2 C31 H31A 109.9 . .
C32 C31 H31A 109.9 . .
H31B C31 H31A 108.3 . .
C31 C32 H32C 109.5 . .
C31 C32 H32B 109.5 . .
H32C C32 H32B 109.5 . .
C31 C32 H32A 109.5 . .
H32C C32 H32A 109.5 . .
H32B C32 H32A 109.5 . .
O3 C33 C34 109.1(4) . .
O3 C33 H33B 109.9 . .
C34 C33 H33B 109.9 . .
O3 C33 H33A 109.9 . .
C34 C33 H33A 109.9 . .
H33B C33 H33A 108.3 . .
C33 C34 H34C 109.5 . .
C33 C34 H34B 109.5 . .
H34C C34 H34B 109.5 . .
C33 C34 H34A 109.5 . .
H34C C34 H34A 109.5 . .
H34B C34 H34A 109.5 . .
O3 C35 C36 109.7(3) . .
O3 C35 H35B 109.7 . .
C36 C35 H35B 109.7 . .
O3 C35 H35A 109.7 . .
C36 C35 H35A 109.7 . .
H35B C35 H35A 108.2 . .
C35 C36 H36C 109.5 . .
C35 C36 H36B 109.5 . .
H36C C36 H36B 109.5 . .
C35 C36 H36A 109.5 . .
H36C C36 H36A 109.5 . .
H36B C36 H36A 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 N1 2.695(2) .
K1 O2 2.716(2) .
K1 O1 2.8618(18) .
K1 C17 3.053(3) .
K1 C18 3.160(3) .
K1 C22 3.163(3) .
K1 C21 3.301(3) .
K1 C19 3.313(3) .
K1 C20 3.386(3) .
K1 C1 3.398(3) .
K1 Si1 3.4428(10) .
K1 C29 3.495(3) .
K2 O3 2.678(2) .
K2 N2 2.680(2) .
K2 C17 3.043(3) .
K2 C4 3.049(3) 1_545
K2 C5 3.074(3) 1_545
K2 C3 3.174(3) 1_545
K2 C6 3.226(3) 1_545
K2 C2 3.327(3) 1_545
K2 C1 3.399(3) 1_545
Si1 N1 1.648(2) .
Si1 O1 1.6554(19) .
Si1 C13 1.867(3) .
Si1 C14 1.880(3) .
Si2 N2 1.654(2) .
Si2 O1 1.6572(19) .
Si2 C15 1.877(4) .
Si2 C16 1.877(3) .
O2 C31 1.407(3) .
O2 C29 1.419(4) .
O3 C33 1.396(5) .
O3 C35 1.435(5) .
N1 C1 1.347(3) .
N2 C17 1.364(4) .
C1 C6 1.435(4) .
C1 C2 1.438(4) .
C1 K2 3.399(3) 1_565
C2 C3 1.388(4) .
C2 C7 1.520(4) .
C2 K2 3.328(3) 1_565
C3 C4 1.389(4) .
C3 K2 3.174(3) 1_565
C3 H3 0.95 .
C4 C5 1.378(5) .
C4 K2 3.049(3) 1_565
C4 H4 0.95 .
C5 C6 1.393(4) .
C5 K2 3.074(3) 1_565
C5 H5 0.95 .
C6 C10 1.518(4) .
C6 K2 3.226(3) 1_565
C7 C9 1.510(5) .
C7 C8 1.528(5) .
C7 H7 1 .
C8 H8C 0.98 .
C8 H8B 0.98 .
C8 H8A 0.98 .
C9 H9C 0.98 .
C9 H9B 0.98 .
C9 H9A 0.98 .
C10 C12 1.521(4) .
C10 C11 1.523(4) .
C10 H10 1 .
C11 H11C 0.98 .
C11 H11B 0.98 .
C11 H11A 0.98 .
C12 H12C 0.98 .
C12 H12B 0.98 .
C12 H12A 0.98 .
C13 H13C 0.98 .
C13 H13B 0.98 .
C13 H13A 0.98 .
C14 H14C 0.98 .
C14 H14B 0.98 .
C14 H14A 0.98 .
C15 H15C 0.98 .
C15 H15B 0.98 .
C15 H15A 0.98 .
C16 H16C 0.98 .
C16 H16B 0.98 .
C16 H16A 0.98 .
C17 C18 1.430(4) .
C17 C22 1.437(4) .
C18 C19 1.388(4) .
C18 C23 1.511(4) .
C19 C20 1.373(5) .
C19 H19 0.95 .
C20 C21 1.383(5) .
C20 H20 0.95 .
C21 C22 1.391(5) .
C21 H21 0.95 .
C22 C26 1.517(5) .
C23 C25 1.522(5) .
C23 C24 1.532(5) .
C23 H23 1 .
C24 H24C 0.98 .
C24 H24B 0.98 .
C24 H24A 0.98 .
C25 H25C 0.98 .
C25 H25B 0.98 .
C25 H25A 0.98 .
C26 C28 1.507(5) .
C26 C27 1.519(6) .
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 C30 1.478(5) .
C29 H29B 0.99 .
C29 H29A 0.99 .
C30 H30C 0.98 .
C30 H30B 0.98 .
C30 H30A 0.98 .
C31 C32 1.504(5) .
C31 H31B 0.99 .
C31 H31A 0.99 .
C32 H32C 0.98 .
C32 H32B 0.98 .
C32 H32A 0.98 .
C33 C34 1.480(7) .
C33 H33B 0.99 .
C33 H33A 0.99 .
C34 H34C 0.98 .
C34 H34B 0.98 .
C34 H34A 0.98 .
C35 C36 1.474(6) .
C35 H35B 0.99 .
C35 H35A 0.99 .
C36 H36C 0.98 .
C36 H36B 0.98 .
C36 H36A 0.98 .
