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#$Date: 2025-08-21 16:09:30 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301850 $
#$URL: svn://www.crystallography.net/cod/cif/7/04/28/7042879.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_7042879
loop_
_publ_author_name
'Ojeda-Amador, Ana I.'
'Martínez-Martínez, Antonio J.'
'Robertson, Gemma M.'
'Robertson, Stuart D.'
'Kennedy, Alan R.'
'O'Hara, Charles T.'
_publ_section_title
;
 Exploring the solid state and solution structural chemistry of the
 utility amide potassium hexamethyldisilazide (KHMDS)
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT01118K
_journal_year                    2017
_chemical_formula_moiety         'C19 H44 K2 N2 Si4'
_chemical_formula_sum            'C19 H44 K2 N2 Si4'
_chemical_formula_weight         491.12
_chemical_properties_physical
', Air-sensitive,Moisture-sensitive,Oxygen-sensitive'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2017-03-14 deposited with the CCDC.
2017-04-17 downloaded from the CCDC.
;
_cell_angle_alpha                90.218(4)
_cell_angle_beta                 105.593(4)
_cell_angle_gamma                117.417(5)
_cell_formula_units_Z            2
_cell_length_a                   9.7944(5)
_cell_length_b                   10.5685(6)
_cell_length_c                   16.9623(7)
_cell_measurement_reflns_used    8911
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      72.8764
_cell_measurement_theta_min      4.7631
_cell_volume                     1484.42(15)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
(compiled Nov 25 2010,17:55:46)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
(compiled Nov 25 2010,17:55:46)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
(compiled Nov 25 2010,17:55:46)
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Oxford Diffraction Gemini S'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0226
_diffrn_reflns_av_unetI/netI     0.0203
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            14198
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        70.000
_diffrn_reflns_theta_max         73.031
_diffrn_reflns_theta_min         4.767
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    4.414
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.19027
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
(compiled Nov 25 2010,17:55:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.099
_exptl_crystal_description       plate
_exptl_crystal_F_000             532
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.508
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         5806
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0396
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0725P)²+0.6495P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1155
_refine_ls_wR_factor_ref         0.1167
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5512
_reflns_number_total             5806
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt01118k2.cif
_cod_data_source_block           ajmao41
_cod_original_cell_volume        1484.42(14)
_cod_database_code               7042879
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
K1 K 0.70616(4) 0.11582(4) 0.24374(2) 0.02412(11) Uani 1 1 d . .
K2 K 1.08504(4) 0.11303(4) 0.24144(2) 0.02500(11) Uani 1 1 d . .
Si1 Si 0.69341(6) -0.18497(5) 0.13472(3) 0.02134(12) Uani 1 1 d . .
Si2 Si 0.79627(5) -0.16617(5) 0.32399(3) 0.02053(12) Uani 1 1 d . .
Si3 Si 1.00150(6) 0.39751(5) 0.16614(3) 0.02246(13) Uani 1 1 d . .
Si4 Si 1.09679(5) 0.41340(5) 0.35517(3) 0.02143(13) Uani 1 1 d . .
N1 N 0.78150(17) -0.10413(15) 0.23311(8) 0.0211(3) Uani 1 1 d . .
N2 N 1.01397(17) 0.33354(15) 0.25651(9) 0.0218(3) Uani 1 1 d . .
C1 C 0.5823(3) -0.0947(2) 0.07196(11) 0.0350(4) Uani 1 1 d . .
H1A H 0.4956 -0.1044 0.0938 0.052 Uiso 1 1 calc R U
H1B H 0.5361 -0.1406 0.0140 0.052 Uiso 1 1 calc R U
H1C H 0.6577 0.0077 0.0754 0.052 Uiso 1 1 calc R U
C2 C 0.5419(3) -0.3821(2) 0.11431(13) 0.0376(5) Uani 1 1 d . .
H2A H 0.5977 -0.4382 0.1335 0.056 Uiso 1 1 calc R U
H2B H 0.4858 -0.4117 0.0548 0.056 Uiso 1 1 calc R U
H2C H 0.4633 -0.3991 0.1440 0.056 Uiso 1 1 calc R U
C3 C 0.8438(3) -0.1727(3) 0.08090(12) 0.0378(5) Uani 1 1 d . .
H3A H 0.9123 -0.0716 0.0770 0.057 Uiso 1 1 calc R U
H3B H 0.7859 -0.2281 0.0251 0.057 Uiso 1 1 calc R U
H3C H 0.9111 -0.2121 0.1126 0.057 Uiso 1 1 calc R U
C4 C 0.6749(2) -0.1326(2) 0.38308(12) 0.0350(4) Uani 1 1 d . .
H4A H 0.7148 -0.0287 0.3949 0.053 Uiso 1 1 calc R U
H4B H 0.6861 -0.1719 0.4352 0.053 Uiso 1 1 calc R U
H4C H 0.5609 -0.1798 0.3498 0.053 Uiso 1 1 calc R U
C5 C 0.7296(3) -0.3642(2) 0.32137(13) 0.0383(5) Uani 1 1 d . .
H5A H 0.6121 -0.4193 0.2966 0.057 Uiso 1 1 calc R U
H5B H 0.7597 -0.3846 0.3779 0.057 Uiso 1 1 calc R U
H5C H 0.7822 -0.3920 0.2883 0.057 Uiso 1 1 calc R U
C6 C 1.0109(2) -0.0728(2) 0.39445(11) 0.0316(4) Uani 1 1 d . .
H6A H 1.0794 -0.0923 0.3690 0.047 Uiso 1 1 calc R U
H6B H 1.0152 -0.1088 0.4477 0.047 Uiso 1 1 calc R U
H6C H 1.0499 0.0314 0.4033 0.047 Uiso 1 1 calc R U
C7 C 0.7951(3) 0.3769(3) 0.11387(14) 0.0429(5) Uani 1 1 d . .
H7A H 0.7146 0.2746 0.1030 0.064 Uiso 1 1 calc R U
H7B H 0.7941 0.4157 0.0615 0.064 Uiso 1 1 calc R U
H7C H 0.7694 0.4297 0.1500 0.064 Uiso 1 1 calc R U
C8 C 1.0379(3) 0.2955(3) 0.08968(13) 0.0434(5) Uani 1 1 d . .
H8A H 1.1464 0.3058 0.1119 0.065 Uiso 1 1 calc R U
H8B H 1.0287 0.3344 0.0373 0.065 Uiso 1 1 calc R U
H8C H 0.9575 0.1932 0.0801 0.065 Uiso 1 1 calc R U
C9 C 1.1433(3) 0.5942(2) 0.16870(14) 0.0438(5) Uani 1 1 d . .
H9A H 1.1081 0.6535 0.1932 0.066 Uiso 1 1 calc R U
H9B H 1.1427 0.6136 0.1122 0.066 Uiso 1 1 calc R U
H9C H 1.2529 0.6177 0.2020 0.066 Uiso 1 1 calc R U
C10 C 0.9510(2) 0.3290(2) 0.41681(11) 0.0340(4) Uani 1 1 d . .
H10A H 0.8566 0.3432 0.3943 0.051 Uiso 1 1 calc R U
H10B H 1.0043 0.3745 0.4748 0.051 Uiso 1 1 calc R U
H10C H 0.9163 0.2256 0.4133 0.051 Uiso 1 1 calc R U
C11 C 1.2783(2) 0.3920(3) 0.41086(13) 0.0392(5) Uani 1 1 d . .
H11A H 1.2466 0.2892 0.4091 0.059 Uiso 1 1 calc R U
H11B H 1.3202 0.4379 0.4686 0.059 Uiso 1 1 calc R U
H11C H 1.3623 0.4377 0.3838 0.059 Uiso 1 1 calc R U
C12 C 1.1680(3) 0.6129(2) 0.37491(13) 0.0358(4) Uani 1 1 d . .
H12A H 1.2624 0.6658 0.3558 0.054 Uiso 1 1 calc R U
H12B H 1.1973 0.6437 0.4343 0.054 Uiso 1 1 calc R U
H12C H 1.0812 0.6330 0.3449 0.054 Uiso 1 1 calc R U
C13 C 0.4327(2) 0.1117(2) 0.32629(11) 0.0260(4) Uani 1 1 d . .
C14 C 0.3439(2) -0.0154(2) 0.27003(12) 0.0266(4) Uani 1 1 d . .
H14 H 0.3094 -0.1055 0.2900 0.032 Uiso 1 1 calc R U
C15 C 0.3050(2) -0.0128(2) 0.18535(12) 0.0298(4) Uani 1 1 d . .
H15 H 0.2448 -0.1005 0.1478 0.036 Uiso 1 1 calc R U
C16 C 0.3544(2) 0.1185(2) 0.15538(12) 0.0328(4) Uani 1 1 d . .
H16 H 0.3276 0.1209 0.0974 0.039 Uiso 1 1 calc R U
C17 C 0.4429(2) 0.2458(2) 0.21064(14) 0.0324(4) Uani 1 1 d . .
H17 H 0.4772 0.3357 0.1905 0.039 Uiso 1 1 calc R U
C18 C 0.4817(2) 0.2425(2) 0.29513(13) 0.0292(4) Uani 1 1 d . .
H18 H 0.5426 0.3305 0.3324 0.035 Uiso 1 1 calc R U
C19 C 0.4751(3) 0.1084(3) 0.41820(12) 0.0423(5) Uani 1 1 d . .
H19A H 0.4593 0.1803 0.4455 0.063 Uiso 1 1 calc R U
H19B H 0.5883 0.1304 0.4399 0.063 Uiso 1 1 calc R U
H19C H 0.4054 0.0124 0.4290 0.063 Uiso 1 1 calc R U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
K K 0.3868 1.0657 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0181 0.0091 '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'
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 N2 94.58(4) . .
N1 K1 C14 109.47(4) . .
N2 K1 C14 153.81(5) . .
N1 K1 C13 125.85(5) . .
N2 K1 C13 130.33(5) . .
C14 K1 C13 24.20(5) . .
N1 K1 C18 149.94(5) . .
N2 K1 C18 112.07(5) . .
C14 K1 C18 42.15(5) . .
C13 K1 C18 24.22(5) . .
N1 K1 C15 110.93(5) . .
N2 K1 C15 150.55(5) . .
C14 K1 C15 23.99(5) . .
C13 K1 C15 42.53(5) . .
C18 K1 C15 48.93(5) . .
N1 K1 C17 152.35(5) . .
N2 K1 C17 110.70(5) . .
C14 K1 C17 48.87(5) . .
C13 K1 C17 42.42(5) . .
C18 K1 C17 23.85(5) . .
C15 K1 C17 41.83(5) . .
N1 K1 C16 129.34(5) . .
N2 K1 C16 126.73(5) . .
C14 K1 C16 42.07(5) . .
C13 K1 C16 49.41(5) . .
C18 K1 C16 41.92(5) . .
C15 K1 C16 23.85(5) . .
C17 K1 C16 23.69(5) . .
N1 K1 Si1 26.43(3) . .
N2 K1 Si1 101.67(3) . .
C14 K1 Si1 104.49(4) . .
C13 K1 Si1 127.57(4) . .
C18 K1 Si1 144.41(3) . .
C15 K1 Si1 95.67(4) . .
C17 K1 Si1 131.20(4) . .
C16 K1 Si1 107.72(4) . .
N1 K1 Si4 101.38(3) . .
N2 K1 Si4 26.36(3) . .
C14 K1 Si4 132.79(4) . .
C13 K1 Si4 108.81(3) . .
C18 K1 Si4 97.27(3) . .
C15 K1 Si4 146.01(4) . .
C17 K1 Si4 106.25(4) . .
C16 K1 Si4 128.87(4) . .
Si1 K1 Si4 118.268(14) . .
N1 K1 Si3 101.96(3) . .
N2 K1 Si3 26.35(3) . .
C14 K1 Si3 145.25(3) . .
C13 K1 Si3 131.94(4) . .
C18 K1 Si3 108.09(4) . .
C15 K1 Si3 128.31(4) . .
C17 K1 Si3 96.53(3) . .
C16 K1 Si3 105.44(4) . .
Si1 K1 Si3 96.980(14) . .
Si4 K1 Si3 50.186(12) . .
N1 K1 Si2 25.83(3) . .
N2 K1 Si2 100.61(3) . .
C14 K1 Si2 97.07(3) . .
C13 K1 Si2 105.90(3) . .
C18 K1 Si2 129.28(4) . .
C15 K1 Si2 108.76(4) . .
C17 K1 Si2 145.82(3) . .
C16 K1 Si2 132.31(4) . .
Si1 K1 Si2 50.078(11) . .
Si4 K1 Si2 95.623(14) . .
Si3 K1 Si2 117.626(13) . .
N2 K2 N1 95.13(4) . .
N2 K2 C17 108.88(5) . 1_655
N1 K2 C17 154.13(5) . 1_655
N2 K2 C18 110.00(5) . 1_655
N1 K2 C18 150.44(5) . 1_655
C17 K2 C18 24.12(5) 1_655 1_655
N2 K2 C14 151.80(5) . 1_655
N1 K2 C14 110.32(4) . 1_655
C17 K2 C14 49.31(5) 1_655 1_655
C18 K2 C14 42.29(5) 1_655 1_655
N2 K2 C16 125.69(5) . 1_655
N1 K2 C16 130.77(5) . 1_655
C17 K2 C16 24.10(5) 1_655 1_655
C18 K2 C16 42.46(5) 1_655 1_655
C14 K2 C16 42.50(5) 1_655 1_655
N2 K2 C15 149.74(5) . 1_655
N1 K2 C15 112.10(5) . 1_655
C17 K2 C15 42.37(5) 1_655 1_655
C18 K2 C15 49.32(5) 1_655 1_655
C14 K2 C15 24.11(5) 1_655 1_655
C16 K2 C15 24.19(5) 1_655 1_655
N2 K2 C13 128.27(5) . 1_655
N1 K2 C13 126.20(5) . 1_655
C17 K2 C13 42.75(5) 1_655 1_655
C18 K2 C13 24.28(5) 1_655 1_655
C14 K2 C13 24.20(5) 1_655 1_655
C16 K2 C13 49.87(5) 1_655 1_655
C15 K2 C13 42.70(5) 1_655 1_655
N2 K2 Si1 102.11(3) . .
N1 K2 Si1 26.41(3) . .
C17 K2 Si1 133.22(4) 1_655 .
C18 K2 Si1 146.42(4) 1_655 .
C14 K2 Si1 106.09(3) 1_655 .
C16 K2 Si1 109.36(4) 1_655 .
C15 K2 Si1 97.34(4) 1_655 .
C13 K2 Si1 128.99(4) 1_655 .
N2 K2 Si3 26.29(3) . .
N1 K2 Si3 102.14(3) . .
C17 K2 Si3 95.77(3) 1_655 .
C18 K2 Si3 107.28(4) 1_655 .
C14 K2 Si3 145.00(3) 1_655 .
C16 K2 Si3 105.20(4) 1_655 .
C15 K2 Si3 128.58(4) 1_655 .
C13 K2 Si3 131.14(4) 1_655 .
Si1 K2 Si3 97.067(14) . .
N2 K2 Si2 101.65(3) . .
N1 K2 Si2 26.18(3) . .
C17 K2 Si2 145.68(3) 1_655 .
C18 K2 Si2 128.36(4) 1_655 .
C14 K2 Si2 96.59(3) 1_655 .
C16 K2 Si2 132.53(4) 1_655 .
C15 K2 Si2 108.61(4) 1_655 .
C13 K2 Si2 105.07(3) 1_655 .
Si1 K2 Si2 50.262(12) . .
Si3 K2 Si2 118.406(14) . .
N2 K2 Si4 25.76(3) . .
N1 K2 Si4 100.70(3) . .
C17 K2 Si4 105.12(4) 1_655 .
C18 K2 Si4 96.02(4) 1_655 .
C14 K2 Si4 131.61(4) 1_655 .
C16 K2 Si4 128.21(4) 1_655 .
C15 K2 Si4 145.18(4) 1_655 .
C13 K2 Si4 107.64(4) 1_655 .
Si1 K2 Si4 117.460(14) . .
Si3 K2 Si4 49.996(11) . .
Si2 K2 Si4 95.521(14) . .
N1 Si1 C2 117.81(8) . .
N1 Si1 C1 110.76(8) . .
C2 Si1 C1 105.17(10) . .
N1 Si1 C3 112.73(8) . .
C2 Si1 C3 104.20(10) . .
C1 Si1 C3 105.12(10) . .
N1 Si1 K1 47.34(5) . .
C2 Si1 K1 130.35(7) . .
C1 Si1 K1 63.42(6) . .
C3 Si1 K1 125.42(8) . .
N1 Si1 K2 47.23(5) . .
C2 Si1 K2 151.38(7) . .
C1 Si1 K2 103.32(7) . .
C3 Si1 K2 70.50(7) . .
K1 Si1 K2 62.377(12) . .
N1 Si2 C5 117.15(8) . .
N1 Si2 C6 111.34(8) . .
C5 Si2 C6 105.13(10) . .
N1 Si2 C4 112.53(8) . .
C5 Si2 C4 104.34(10) . .
C6 Si2 C4 105.37(9) . .
N1 Si2 K2 46.66(5) . .
C5 Si2 K2 132.12(8) . .
C6 Si2 K2 64.72(6) . .
C4 Si2 K2 123.54(7) . .
N1 Si2 K1 45.96(5) . .
C5 Si2 K1 147.94(7) . .
C6 Si2 K1 106.73(7) . .
C4 Si2 K1 70.42(7) . .
K2 Si2 K1 61.786(11) . .
N2 Si3 C7 112.64(9) . .
N2 Si3 C9 117.10(9) . .
C7 Si3 C9 104.05(11) . .
N2 Si3 C8 111.23(9) . .
C7 Si3 C8 105.13(11) . .
C9 Si3 C8 105.71(11) . .
N2 Si3 K2 46.66(5) . .
C7 Si3 K2 125.63(8) . .
C9 Si3 K2 130.32(8) . .
C8 Si3 K2 64.58(7) . .
N2 Si3 K1 47.28(5) . .
C7 Si3 K1 70.44(7) . .
C9 Si3 K1 150.46(8) . .
C8 Si3 K1 103.70(8) . .
K2 Si3 K1 62.152(12) . .
N2 Si4 C12 117.25(8) . .
N2 Si4 C10 111.22(8) . .
C12 Si4 C10 105.09(9) . .
N2 Si4 C11 112.65(9) . .
C12 Si4 C11 104.94(10) . .
C10 Si4 C11 104.63(10) . .
N2 Si4 K1 47.37(5) . .
C12 Si4 K1 131.13(7) . .
C10 Si4 K1 63.86(6) . .
C11 Si4 K1 123.91(8) . .
N2 Si4 K2 45.59(5) . .
C12 Si4 K2 148.96(7) . .
C10 Si4 K2 105.66(7) . .
C11 Si4 K2 71.05(7) . .
K1 Si4 K2 61.870(11) . .
Si1 N1 Si2 133.24(9) . .
Si1 N1 K2 106.35(7) . .
Si2 N1 K2 107.16(6) . .
Si1 N1 K1 106.23(6) . .
Si2 N1 K1 108.21(7) . .
K2 N1 K1 85.14(4) . .
Si4 N2 Si3 132.94(9) . .
Si4 N2 K2 108.65(7) . .
Si3 N2 K2 107.05(7) . .
Si4 N2 K1 106.27(7) . .
Si3 N2 K1 106.37(7) . .
K2 N2 K1 85.11(4) . .
Si1 C1 H1A 109.5 . .
Si1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
Si1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
Si1 C2 H2A 109.5 . .
Si1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
Si1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
Si1 C3 H3A 109.5 . .
Si1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
Si1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
Si2 C4 H4A 109.5 . .
Si2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
Si2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
Si2 C5 H5A 109.5 . .
Si2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
Si2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
Si2 C6 H6A 109.5 . .
Si2 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
Si2 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
Si3 C7 H7A 109.5 . .
Si3 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
Si3 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
Si3 C8 H8A 109.5 . .
Si3 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
Si3 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
Si3 C9 H9A 109.5 . .
Si3 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
Si3 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
Si4 C10 H10A 109.5 . .
Si4 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
Si4 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
Si4 C11 H11A 109.5 . .
Si4 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
Si4 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
Si4 C12 H12A 109.5 . .
Si4 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
Si4 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C14 C13 C18 118.15(17) . .
C14 C13 C19 120.96(18) . .
C18 C13 C19 120.89(19) . .
C14 C13 K1 77.82(10) . .
C18 C13 K1 78.29(10) . .
C19 C13 K1 113.56(11) . .
C14 C13 K2 77.58(10) . 1_455
C18 C13 K2 77.37(10) . 1_455
C19 C13 K2 115.15(11) . 1_455
K1 C13 K2 131.29(6) . 1_455
C15 C14 C13 121.11(17) . .
C15 C14 K2 78.11(10) . 1_455
C13 C14 K2 78.22(10) . 1_455
C15 C14 K1 79.26(10) . .
C13 C14 K1 77.98(10) . .
K2 C14 K1 131.67(6) 1_455 .
C15 C14 H14 119.4 . .
C13 C14 H14 119.4 . .
K2 C14 H14 114.7 1_455 .
K1 C14 H14 113.7 . .
C14 C15 C16 119.96(18) . .
C14 C15 K2 77.78(10) . 1_455
C16 C15 K2 77.78(11) . 1_455
C14 C15 K1 76.75(10) . .
C16 C15 K1 79.20(11) . .
K2 C15 K1 130.34(6) 1_455 .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
K2 C15 H15 115.0 1_455 .
K1 C15 H15 114.6 . .
C17 C16 C15 119.51(18) . .
C17 C16 K2 77.73(11) . 1_455
C15 C16 K2 78.04(11) . 1_455
C17 C16 K1 77.59(11) . .
C15 C16 K1 76.95(10) . .
K2 C16 K1 129.43(6) 1_455 .
C17 C16 H16 120.2 . .
C15 C16 H16 120.2 . .
K2 C16 H16 114.6 1_455 .
K1 C16 H16 115.9 . .
C16 C17 C18 120.29(18) . .
C16 C17 K2 78.17(11) . 1_455
C18 C17 K2 77.94(10) . 1_455
C16 C17 K1 78.72(11) . .
C18 C17 K1 76.73(11) . .
K2 C17 K1 130.14(6) 1_455 .
C16 C17 H17 119.9 . .
C18 C17 H17 119.9 . .
K2 C17 H17 114.6 1_455 .
K1 C17 H17 115.3 . .
C17 C18 C13 120.97(18) . .
C17 C18 K2 77.93(11) . 1_455
C13 C18 K2 78.36(10) . 1_455
C17 C18 K1 79.42(11) . .
C13 C18 K1 77.49(10) . .
K2 C18 K1 131.38(6) 1_455 .
C17 C18 H18 119.5 . .
C13 C18 H18 119.5 . .
K2 C18 H18 114.6 1_455 .
K1 C18 H18 114.0 . .
C13 C19 H19A 109.5 . .
C13 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C13 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 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 2.7619(15) .
K1 N2 2.7726(15) .
K1 C14 3.3221(17) .
K1 C13 3.3240(17) .
K1 C18 3.3341(18) .
K1 C15 3.3532(18) .
K1 C17 3.3673(19) .
K1 C16 3.3812(19) .
K1 Si1 3.6063(6) .
K1 Si4 3.6177(7) .
K1 Si3 3.6207(6) .
K1 Si2 3.6497(6) .
K2 N2 2.7506(15) .
K2 N1 2.7593(15) .
K2 C17 3.3149(19) 1_655
K2 C18 3.3151(18) 1_655
K2 C14 3.3196(18) 1_655
K2 C16 3.3204(19) 1_655
K2 C15 3.3236(18) 1_655
K2 C13 3.3275(17) 1_655
K2 Si1 3.6066(7) .
K2 Si3 3.6157(6) .
K2 Si2 3.6251(6) .
K2 Si4 3.6482(6) .
Si1 N1 1.6720(14) .
Si1 C2 1.880(2) .
Si1 C1 1.8886(19) .
Si1 C3 1.889(2) .
Si2 N1 1.6740(14) .
Si2 C5 1.880(2) .
Si2 C6 1.8847(19) .
Si2 C4 1.8892(19) .
Si3 N2 1.6748(15) .
Si3 C7 1.884(2) .
Si3 C9 1.887(2) .
Si3 C8 1.888(2) .
Si4 N2 1.6734(14) .
Si4 C12 1.887(2) .
Si4 C10 1.8883(19) .
Si4 C11 1.891(2) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.393(3) .
C13 C18 1.397(3) .
C13 C19 1.507(3) .
C13 K2 3.3275(17) 1_455
C14 C15 1.387(3) .
C14 K2 3.3196(18) 1_455
C14 H14 0.9500 .
C15 C16 1.392(3) .
C15 K2 3.3236(18) 1_455
C15 H15 0.9500 .
C16 C17 1.385(3) .
C16 K2 3.3204(19) 1_455
C16 H16 0.9500 .
C17 C18 1.385(3) .
C17 K2 3.3150(19) 1_455
C17 H17 0.9500 .
C18 K2 3.3151(18) 1_455
C18 H18 0.9500 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
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
C2 Si1 N1 Si2 15.49(16) . .
C1 Si1 N1 Si2 136.59(13) . .
C3 Si1 N1 Si2 -105.96(14) . .
K1 Si1 N1 Si2 136.11(15) . .
K2 Si1 N1 Si2 -134.27(15) . .
C2 Si1 N1 K2 149.76(9) . .
C1 Si1 N1 K2 -89.15(9) . .
C3 Si1 N1 K2 28.31(10) . .
K1 Si1 N1 K2 -89.63(6) . .
C2 Si1 N1 K1 -120.61(9) . .
C1 Si1 N1 K1 0.48(10) . .
C3 Si1 N1 K1 117.94(9) . .
K2 Si1 N1 K1 89.63(6) . .
C5 Si2 N1 Si1 10.49(17) . .
C6 Si2 N1 Si1 131.50(13) . .
C4 Si2 N1 Si1 -110.46(13) . .
K2 Si2 N1 Si1 134.01(15) . .
K1 Si2 N1 Si1 -135.51(15) . .
C5 Si2 N1 K2 -123.53(9) . .
C6 Si2 N1 K2 -2.52(10) . .
C4 Si2 N1 K2 115.53(9) . .
K1 Si2 N1 K2 90.48(7) . .
C5 Si2 N1 K1 145.99(9) . .
C6 Si2 N1 K1 -92.99(9) . .
C4 Si2 N1 K1 25.05(10) . .
K2 Si2 N1 K1 -90.48(7) . .
C12 Si4 N2 Si3 10.17(16) . .
C10 Si4 N2 Si3 131.12(13) . .
C11 Si4 N2 Si3 -111.78(14) . .
K1 Si4 N2 Si3 132.28(15) . .
K2 Si4 N2 Si3 -137.45(15) . .
C12 Si4 N2 K2 147.63(8) . .
C10 Si4 N2 K2 -91.43(9) . .
C11 Si4 N2 K2 25.68(11) . .
K1 Si4 N2 K2 -90.27(7) . .
C12 Si4 N2 K1 -122.11(9) . .
C10 Si4 N2 K1 -1.16(10) . .
C11 Si4 N2 K1 115.95(9) . .
K2 Si4 N2 K1 90.27(7) . .
C7 Si3 N2 Si4 -103.77(14) . .
C9 Si3 N2 Si4 16.82(17) . .
C8 Si3 N2 Si4 138.49(14) . .
K2 Si3 N2 Si4 137.92(15) . .
K1 Si3 N2 Si4 -132.25(15) . .
C7 Si3 N2 K2 118.31(10) . .
C9 Si3 N2 K2 -121.10(10) . .
C8 Si3 N2 K2 0.57(11) . .
K1 Si3 N2 K2 89.83(7) . .
C7 Si3 N2 K1 28.48(11) . .
C9 Si3 N2 K1 149.07(10) . .
C8 Si3 N2 K1 -89.26(11) . .
K2 Si3 N2 K1 -89.83(7) . .
C18 C13 C14 C15 0.0(3) . .
C19 C13 C14 C15 -179.77(17) . .
K1 C13 C14 C15 -69.45(15) . .
K2 C13 C14 C15 68.17(15) 1_455 .
C18 C13 C14 K2 -68.17(14) . 1_455
C19 C13 C14 K2 112.05(16) . 1_455
K1 C13 C14 K2 -137.63(4) . 1_455
C18 C13 C14 K1 69.46(14) . .
C19 C13 C14 K1 -110.32(16) . .
K2 C13 C14 K1 137.63(4) 1_455 .
C13 C14 C15 C16 -0.2(3) . .
K2 C14 C15 C16 67.98(16) 1_455 .
K1 C14 C15 C16 -69.02(16) . .
C13 C14 C15 K2 -68.23(15) . 1_455
K1 C14 C15 K2 -137.01(5) . 1_455
C13 C14 C15 K1 68.77(15) . .
K2 C14 C15 K1 137.01(5) 1_455 .
C14 C15 C16 C17 0.3(3) . .
K2 C15 C16 C17 68.32(16) 1_455 .
K1 C15 C16 C17 -67.38(16) . .
C14 C15 C16 K2 -67.99(15) . 1_455
K1 C15 C16 K2 -135.69(5) . 1_455
C14 C15 C16 K1 67.71(15) . .
K2 C15 C16 K1 135.69(5) 1_455 .
C15 C16 C17 C18 -0.2(3) . .
K2 C16 C17 C18 68.31(16) 1_455 .
K1 C16 C17 C18 -67.19(16) . .
C15 C16 C17 K2 -68.48(16) . 1_455
K1 C16 C17 K2 -135.51(4) . 1_455
C15 C16 C17 K1 67.03(16) . .
K2 C16 C17 K1 135.51(4) 1_455 .
C16 C17 C18 C13 -0.1(3) . .
K2 C17 C18 C13 68.35(16) 1_455 .
K1 C17 C18 C13 -68.33(16) . .
C16 C17 C18 K2 -68.43(16) . 1_455
K1 C17 C18 K2 -136.68(5) . 1_455
C16 C17 C18 K1 68.25(16) . .
K2 C17 C18 K1 136.68(5) 1_455 .
C14 C13 C18 C17 0.2(3) . .
C19 C13 C18 C17 179.94(17) . .
K1 C13 C18 C17 69.35(16) . .
K2 C13 C18 C17 -68.13(16) 1_455 .
C14 C13 C18 K2 68.29(14) . 1_455
C19 C13 C18 K2 -111.93(16) . 1_455
K1 C13 C18 K2 137.48(5) . 1_455
C14 C13 C18 K1 -69.19(14) . .
C19 C13 C18 K1 110.59(16) . .
K2 C13 C18 K1 -137.48(5) 1_455 .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139170707
