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#$Date: 2023-09-07 08:44:46 +0300 (Thu, 07 Sep 2023) $
#$Revision: 286259 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/80/4348009.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_4348009
loop_
_publ_author_name
'Ojeda-Amador, Ana I'
'Martínez-Martínez, Antonio J'
'Kennedy, Alan R.'
'O'Hara, Charles T'
_publ_section_title
;
 Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium
 Bis(trimethylsilyl)amide (HMDS) Complexes.
;
_journal_issue                   11
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5719
_journal_page_last               5728
_journal_paper_doi               10.1021/acs.inorgchem.6b00839
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C12 H36 Cs N2 Na Si4, C7 H8'
_chemical_formula_sum            'C19 H44 Cs N2 Na Si4'
_chemical_formula_weight         568.82
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                106.202(4)
_cell_angle_beta                 93.447(4)
_cell_angle_gamma                114.110(5)
_cell_formula_units_Z            2
_cell_length_a                   11.4391(6)
_cell_length_b                   11.6765(6)
_cell_length_c                   12.9108(5)
_cell_measurement_reflns_used    6956
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      72.8840
_cell_measurement_theta_min      4.6000
_cell_volume                     1481.41(15)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0466
_diffrn_reflns_av_unetI/netI     0.0487
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14379
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         69.995
_diffrn_reflns_theta_min         3.638
_exptl_absorpt_coefficient_mu    11.489
_exptl_absorpt_correction_T_max  0.421
_exptl_absorpt_correction_T_min  0.067
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.275
_exptl_crystal_description       plate
_exptl_crystal_F_000             588
_exptl_crystal_size_max          0.4078
_exptl_crystal_size_mid          0.3438
_exptl_crystal_size_min          0.0972
_refine_diff_density_max         1.619
_refine_diff_density_min         -0.915
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     258
_refine_ls_number_reflns         5572
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0378
_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)+(0.0589P)²+0.3194P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0962
_refine_ls_wR_factor_ref         0.1000
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5091
_reflns_number_total             5572
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b00839_si_002.cif
_cod_data_source_block           amao413ABSCORR
_cod_depositor_comments
;

2023-09-06
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C38 H88 Cs2 N4 Na2 Si8'
_cod_original_formula_weight         1137.64
_cod_original_formula_moiety         'C38 H88 Cs2 N4 Na2 Si8'
_cod_original_formula_units_Z            1
_cod_original_cell_volume        1481.40(14)
_cod_database_code               4348009
_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
_atom_site_refinement_flags_occupancy
Cs1 Cs 0.48977(2) 0.82192(2) 0.76141(2) 0.02986(10) Uani 0.989(2) 1 d . . P
Na1 Na 0.13884(13) 0.63063(15) 0.68507(12) 0.0322(4) Uani 1 1 d . . .
Si1 Si 0.27520(9) 0.72714(10) 0.46620(8) 0.0277(2) Uani 1 1 d . . .
Si2 Si 0.21066(10) 0.90417(10) 0.64920(9) 0.0291(2) Uani 1 1 d . . .
Si3 Si 0.26624(10) 0.46006(10) 0.77072(8) 0.0279(2) Uani 1 1 d . . .
Si4 Si 0.24143(9) 0.66934(9) 0.95071(8) 0.0274(2) Uani 1 1 d . . .
N1 N 0.2518(3) 0.7802(3) 0.5941(3) 0.0275(6) Uani 1 1 d . . .
N2 N 0.2610(3) 0.6069(3) 0.8222(2) 0.0274(6) Uani 1 1 d . . .
C1 C 0.4207(4) 0.6896(4) 0.4620(4) 0.0396(9) Uani 1 1 d . . .
H1A H 0.4240 0.6496 0.3853 0.059 Uiso 1 1 calc R U .
H1B H 0.4128 0.6275 0.5019 0.059 Uiso 1 1 calc R U .
H1C H 0.5010 0.7723 0.4966 0.059 Uiso 1 1 calc R U .
C2 C 0.1288(4) 0.5671(4) 0.3809(4) 0.0418(10) Uani 1 1 d . . .
H2A H 0.0507 0.5824 0.3775 0.063 Uiso 1 1 calc R U .
H2B H 0.1159 0.4985 0.4146 0.063 Uiso 1 1 calc R U .
H2C H 0.1439 0.5376 0.3062 0.063 Uiso 1 1 calc R U .
C3 C 0.3022(4) 0.8423(4) 0.3831(3) 0.0396(9) Uani 1 1 d . . .
H3A H 0.3244 0.8052 0.3135 0.059 Uiso 1 1 calc R U .
H3B H 0.3740 0.9297 0.4247 0.059 Uiso 1 1 calc R U .
H3C H 0.2223 0.8518 0.3680 0.059 Uiso 1 1 calc R U .
C4 C 0.1167(4) 0.8689(5) 0.7602(4) 0.0421(10) Uani 1 1 d . . .
H4A H 0.0338 0.7885 0.7277 0.063 Uiso 1 1 calc R U .
H4B H 0.0990 0.9444 0.7958 0.063 Uiso 1 1 calc R U .
H4C H 0.1682 0.8554 0.8150 0.063 Uiso 1 1 calc R U .
C5 C 0.3548(5) 1.0693(5) 0.7189(6) 0.0636(16) Uani 1 1 d . . .
H5A H 0.4096 1.0937 0.6658 0.095 Uiso 1 1 calc R U .
H5B H 0.4057 1.0638 0.7795 0.095 Uiso 1 1 calc R U .
H5C H 0.3244 1.1370 0.7480 0.095 Uiso 1 1 calc R U .
C6 C 0.1015(6) 0.9318(7) 0.5543(4) 0.0619(15) Uani 1 1 d . . .
H6A H 0.1511 0.9719 0.5039 0.093 Uiso 1 1 calc R U .
H6B H 0.0688 0.9915 0.5976 0.093 Uiso 1 1 calc R U .
H6C H 0.0276 0.8464 0.5117 0.093 Uiso 1 1 calc R U .
C7 C 0.2739(6) 0.4243(5) 0.6198(4) 0.0520(12) Uani 1 1 d . . .
H7A H 0.2738 0.3373 0.5899 0.078 Uiso 1 1 calc R U .
H7B H 0.3540 0.4934 0.6114 0.078 Uiso 1 1 calc R U .
H7C H 0.1978 0.4236 0.5800 0.078 Uiso 1 1 calc R U .
C8 C 0.1195(4) 0.3111(4) 0.7753(3) 0.0368(9) Uani 1 1 d . . .
H8A H 0.0410 0.3038 0.7333 0.055 Uiso 1 1 calc R U .
H8B H 0.1103 0.3213 0.8519 0.055 Uiso 1 1 calc R U .
H8C H 0.1307 0.2306 0.7431 0.055 Uiso 1 1 calc R U .
C9 C 0.4149(4) 0.4555(4) 0.8369(4) 0.0433(10) Uani 1 1 d . . .
H9A H 0.4210 0.3752 0.7939 0.065 Uiso 1 1 calc R U .
H9B H 0.4077 0.4546 0.9119 0.065 Uiso 1 1 calc R U .
H9C H 0.4934 0.5344 0.8393 0.065 Uiso 1 1 calc R U .
C10 C 0.3527(4) 0.8541(4) 1.0145(3) 0.0403(10) Uani 1 1 d . . .
H10A H 0.4440 0.8690 1.0240 0.060 Uiso 1 1 calc R U .
H10B H 0.3330 0.8883 1.0862 0.060 Uiso 1 1 calc R U .
H10C H 0.3385 0.9006 0.9661 0.060 Uiso 1 1 calc R U .
C11 C 0.2789(4) 0.5983(4) 1.0553(3) 0.0392(9) Uani 1 1 d . . .
H11A H 0.2229 0.5021 1.0306 0.059 Uiso 1 1 calc R U .
H11B H 0.2623 0.6404 1.1262 0.059 Uiso 1 1 calc R U .
H11C H 0.3708 0.6153 1.0637 0.059 Uiso 1 1 calc R U .
C12 C 0.0715(4) 0.6539(4) 0.9549(4) 0.0378(9) Uani 1 1 d . . .
H12A H 0.0527 0.7023 0.9104 0.057 Uiso 1 1 calc R U .
H12B H 0.0653 0.6917 1.0311 0.057 Uiso 1 1 calc R U .
H12C H 0.0082 0.5598 0.9253 0.057 Uiso 1 1 calc R U .
C13 C 0.7869(4) 0.8163(4) 0.8790(3) 0.0339(8) Uani 1 1 d . . .
C14 C 0.8347(4) 0.9457(4) 0.8749(4) 0.0386(9) Uani 1 1 d . . .
H14 H 0.8654 1.0191 0.9415 0.046 Uiso 1 1 calc R U .
C15 C 0.8377(4) 0.9681(5) 0.7755(5) 0.0492(12) Uani 1 1 d . . .
H15 H 0.8716 1.0565 0.7739 0.059 Uiso 1 1 calc R U .
C16 C 0.7913(4) 0.8612(6) 0.6775(4) 0.0503(12) Uani 1 1 d . . .
H16 H 0.7921 0.8760 0.6087 0.060 Uiso 1 1 calc R U .
C17 C 0.7440(4) 0.7339(5) 0.6814(4) 0.0447(11) Uani 1 1 d . . .
H17 H 0.7124 0.6606 0.6147 0.054 Uiso 1 1 calc R U .
C18 C 0.7419(4) 0.7112(4) 0.7802(4) 0.0366(9) Uani 1 1 d . . .
H18 H 0.7093 0.6225 0.7811 0.044 Uiso 1 1 calc R U .
C19 C 0.7826(5) 0.7916(5) 0.9879(4) 0.0521(12) Uani 1 1 d . . .
H19A H 0.7411 0.6955 0.9746 0.078 Uiso 1 1 calc R U .
H19B H 0.7321 0.8319 1.0293 0.078 Uiso 1 1 calc R U .
H19C H 0.8717 0.8312 1.0303 0.078 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
Cs Cs -0.7457 7.9052 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 '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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0 3 -8 0.2190 0.0046 3.0005 -7.9971 0.0112 -0.7482 -0.6073
0 -3 8 0.1252 -0.0046 -3.0005 7.9971 -0.0112 0.7482 0.6073
3 -4 -6 0.2258 2.9988 -4.0063 -5.9920 -0.0327 -1.0035 0.2806
3 -7 4 0.1774 2.9934 -7.0061 4.0034 0.0122 -0.0175 0.9550
-4 6 3 0.0848 -3.9962 6.0074 2.9927 -0.0443 0.7886 -0.6171
-3 7 -4 0.1950 -2.9934 7.0061 -4.0034 -0.0122 0.0175 -0.9550
5 2 -1 0.0473 4.9992 2.0020 -1.0051 0.8792 -0.0158 -0.2110
-6 -2 1 0.0421 -5.9988 -2.0020 1.0057 -1.0292 0.0222 0.2012
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 Cs1 N1 79.92(8) . .
N2 Cs1 C16 137.38(11) . .
N1 Cs1 C16 120.33(10) . .
N2 Cs1 C17 115.20(10) . .
N1 Cs1 C17 123.98(9) . .
C16 Cs1 C17 22.21(12) . .
N2 Cs1 C15 143.64(10) . .
N1 Cs1 C15 133.18(10) . .
C16 Cs1 C15 22.38(12) . .
C17 Cs1 C15 38.83(12) . .
N2 Cs1 Na1 39.77(6) . .
N1 Cs1 Na1 40.16(6) . .
C16 Cs1 Na1 144.68(9) . .
C17 Cs1 Na1 130.54(8) . .
C15 Cs1 Na1 166.96(10) . .
N2 Cs1 C18 101.08(9) . .
N1 Cs1 C18 141.37(9) . .
C16 Cs1 C18 38.83(11) . .
C17 Cs1 C18 21.96(10) . .
C15 Cs1 C18 44.88(10) . .
Na1 Cs1 C18 129.78(7) . .
N2 Cs1 C1 102.65(9) . .
N1 Cs1 C1 51.24(8) . .
C16 Cs1 C1 72.71(10) . .
C17 Cs1 C1 72.76(10) . .
C15 Cs1 C1 92.48(11) . .
Na1 Cs1 C1 75.18(7) . .
C18 Cs1 C1 91.85(10) . .
N2 Cs1 C14 124.60(9) . .
N1 Cs1 C14 154.89(9) . .
C16 Cs1 C14 38.90(11) . .
C17 Cs1 C14 44.83(11) . .
C15 Cs1 C14 21.95(11) . .
Na1 Cs1 C14 163.94(8) . .
C18 Cs1 C14 38.39(9) . .
C1 Cs1 C14 111.60(10) . .
N2 Cs1 C13 105.00(9) . .
N1 Cs1 C13 162.55(8) . .
C16 Cs1 C13 45.38(11) . .
C17 Cs1 C13 38.68(10) . .
C15 Cs1 C13 38.78(10) . .
Na1 Cs1 C13 142.40(7) . .
C18 Cs1 C13 21.92(9) . .
C1 Cs1 C13 111.42(9) . .
C14 Cs1 C13 22.04(9) . .
N2 Cs1 C10 112.90(8) . 2_677
N1 Cs1 C10 115.75(10) . 2_677
C16 Cs1 C10 92.44(11) . 2_677
C17 Cs1 C10 106.94(10) . 2_677
C15 Cs1 C10 70.38(11) . 2_677
Na1 Cs1 C10 121.87(7) . 2_677
C18 Cs1 C10 99.60(10) . 2_677
C1 Cs1 C10 139.44(10) . 2_677
C14 Cs1 C10 63.02(10) . 2_677
C13 Cs1 C10 78.24(10) . 2_677
N2 Cs1 C10 50.73(8) . .
N1 Cs1 C10 99.19(9) . .
C16 Cs1 C10 139.95(11) . .
C17 Cs1 C10 133.16(11) . .
C15 Cs1 C10 121.01(11) . .
Na1 Cs1 C10 71.42(7) . .
C18 Cs1 C10 111.28(10) . .
C1 Cs1 C10 146.52(9) . .
C14 Cs1 C10 101.31(10) . .
C13 Cs1 C10 96.70(10) . .
C10 Cs1 C10 62.23(11) 2_677 .
N2 Na1 N1 118.09(12) . .
N2 Na1 C4 111.32(14) . .
N1 Na1 C4 68.27(12) . .
N2 Na1 C2 113.76(14) . 2_566
N1 Na1 C2 126.96(14) . 2_566
C4 Na1 C2 102.80(14) . 2_566
N2 Na1 Si2 122.65(9) . .
N1 Na1 Si2 32.01(8) . .
C4 Na1 Si2 36.39(9) . .
C2 Na1 Si2 118.62(11) 2_566 .
N2 Na1 Si3 29.30(8) . .
N1 Na1 Si3 121.63(9) . .
C4 Na1 Si3 140.61(11) . .
C2 Na1 Si3 98.58(11) 2_566 .
Si2 Na1 Si3 142.75(5) . .
N2 Na1 Si4 26.80(7) . .
N1 Na1 Si4 124.10(9) . .
C4 Na1 Si4 88.80(11) . .
C2 Na1 Si4 107.13(11) 2_566 .
Si2 Na1 Si4 112.04(5) . .
Si3 Na1 Si4 53.15(3) . .
N2 Na1 Cs1 58.73(8) . .
N1 Na1 Cs1 59.38(8) . .
C4 Na1 Cs1 88.68(10) . .
C2 Na1 Cs1 168.29(11) 2_566 .
Si2 Na1 Cs1 72.19(3) . .
Si3 Na1 Cs1 70.57(3) . .
Si4 Na1 Cs1 70.35(3) . .
N1 Si1 C1 112.93(18) . .
N1 Si1 C3 117.04(18) . .
C1 Si1 C3 104.3(2) . .
N1 Si1 C2 110.48(18) . .
C1 Si1 C2 106.2(2) . .
C3 Si1 C2 105.0(2) . .
N1 Si1 Cs1 48.20(11) . .
C1 Si1 Cs1 65.05(14) . .
C3 Si1 Cs1 125.02(14) . .
C2 Si1 Cs1 129.95(15) . .
N1 Si2 C5 113.5(2) . .
N1 Si2 C6 116.9(2) . .
C5 Si2 C6 106.6(3) . .
N1 Si2 C4 109.80(18) . .
C5 Si2 C4 104.9(3) . .
C6 Si2 C4 104.0(2) . .
N1 Si2 Na1 47.92(11) . .
C5 Si2 Na1 129.7(2) . .
C6 Si2 Na1 123.5(2) . .
C4 Si2 Na1 62.14(14) . .
N1 Si2 Cs1 48.91(11) . .
C5 Si2 Cs1 74.54(18) . .
C6 Si2 Cs1 161.09(17) . .
C4 Si2 Cs1 93.64(15) . .
Na1 Si2 Cs1 59.46(3) . .
N2 Si3 C8 115.22(18) . .
N2 Si3 C9 113.80(18) . .
C8 Si3 C9 107.2(2) . .
N2 Si3 C7 109.97(19) . .
C8 Si3 C7 104.6(2) . .
C9 Si3 C7 105.2(2) . .
N2 Si3 Na1 42.74(11) . .
C8 Si3 Na1 103.44(14) . .
C9 Si3 Na1 148.29(15) . .
C7 Si3 Na1 74.40(16) . .
N2 Si3 Cs1 47.97(11) . .
C8 Si3 Cs1 161.00(14) . .
C9 Si3 Cs1 89.89(14) . .
C7 Si3 Cs1 78.05(16) . .
Na1 Si3 Cs1 58.68(3) . .
N2 Si4 C11 116.64(18) . .
N2 Si4 C12 112.68(18) . .
C11 Si4 C12 106.4(2) . .
N2 Si4 C10 111.88(17) . .
C11 Si4 C10 103.4(2) . .
C12 Si4 C10 104.8(2) . .
N2 Si4 Na1 38.69(11) . .
C11 Si4 Na1 149.58(14) . .
C12 Si4 Na1 79.46(14) . .
C10 Si4 Na1 103.77(15) . .
N2 Si4 Cs1 46.13(11) . .
C11 Si4 Cs1 124.56(14) . .
C12 Si4 Cs1 129.03(14) . .
C10 Si4 Cs1 65.92(13) . .
Na1 Si4 Cs1 57.28(3) . .
Si1 N1 Si2 128.1(2) . .
Si1 N1 Na1 121.90(16) . .
Si2 N1 Na1 100.08(14) . .
Si1 N1 Cs1 108.47(13) . .
Si2 N1 Cs1 107.30(13) . .
Na1 N1 Cs1 80.46(9) . .
Si3 N2 Si4 125.0(2) . .
Si3 N2 Na1 107.96(15) . .
Si4 N2 Na1 114.50(16) . .
Si3 N2 Cs1 108.40(13) . .
Si4 N2 Cs1 110.96(13) . .
Na1 N2 Cs1 81.50(10) . .
Si1 C1 Cs1 86.93(14) . .
Si1 C1 H1A 109.5 . .
Cs1 C1 H1A 163.6 . .
Si1 C1 H1B 109.5 . .
Cs1 C1 H1B 62.5 . .
H1A C1 H1B 109.5 . .
Si1 C1 H1C 109.5 . .
Cs1 C1 H1C 63.6 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
Si1 C2 Na1 157.5(2) . 2_566
Si1 C2 H2A 109.5 . .
Na1 C2 H2A 52.9 2_566 .
Si1 C2 H2B 109.5 . .
Na1 C2 H2B 70.2 2_566 .
H2A C2 H2B 109.5 . .
Si1 C2 H2C 109.5 . .
Na1 C2 H2C 91.1 2_566 .
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 Na1 81.48(15) . .
Si2 C4 H4A 109.5 . .
Na1 C4 H4A 64.8 . .
Si2 C4 H4B 109.5 . .
Na1 C4 H4B 169.0 . .
H4A C4 H4B 109.5 . .
Si2 C4 H4C 109.5 . .
Na1 C4 H4C 66.0 . .
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 Cs1 155.4(2) . 2_677
Si4 C10 Cs1 86.19(13) . .
Cs1 C10 Cs1 117.77(11) 2_677 .
Si4 C10 H10A 109.5 . .
Cs1 C10 H10A 79.0 2_677 .
Cs1 C10 H10A 64.1 . .
Si4 C10 H10B 109.5 . .
Cs1 C10 H10B 46.8 2_677 .
Cs1 C10 H10B 164.3 . .
H10A C10 H10B 109.5 . .
Si4 C10 H10C 109.5 . .
Cs1 C10 H10C 88.1 2_677 .
Cs1 C10 H10C 62.6 . .
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 . .
C18 C13 C14 118.2(4) . .
C18 C13 C19 120.9(4) . .
C14 C13 C19 120.9(4) . .
C18 C13 Cs1 77.4(2) . .
C14 C13 Cs1 77.8(2) . .
C19 C13 Cs1 113.9(3) . .
C15 C14 C13 120.8(4) . .
C15 C14 Cs1 77.4(2) . .
C13 C14 Cs1 80.1(2) . .
C15 C14 H14 119.6 . .
C13 C14 H14 119.6 . .
Cs1 C14 H14 113.2 . .
C14 C15 C16 120.1(4) . .
C14 C15 Cs1 80.7(2) . .
C16 C15 Cs1 77.3(2) . .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
Cs1 C15 H15 112.5 . .
C17 C16 C15 119.2(4) . .
C17 C16 Cs1 79.4(2) . .
C15 C16 Cs1 80.3(2) . .
C17 C16 H16 120.4 . .
C15 C16 H16 120.4 . .
Cs1 C16 H16 110.4 . .
C18 C17 C16 121.0(4) . .
C18 C17 Cs1 81.3(2) . .
C16 C17 Cs1 78.4(3) . .
C18 C17 H17 119.5 . .
C16 C17 H17 119.5 . .
Cs1 C17 H17 111.0 . .
C17 C18 C13 120.8(4) . .
C17 C18 Cs1 76.8(3) . .
C13 C18 Cs1 80.6(2) . .
C17 C18 H18 119.6 . .
C13 C18 H18 119.6 . .
Cs1 C18 H18 113.3 . .
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
Cs1 N2 3.121(3) .
Cs1 N1 3.152(3) .
Cs1 C16 3.566(4) .
Cs1 C17 3.577(4) .
Cs1 C15 3.603(4) .
Cs1 Na1 3.6119(14) .
Cs1 C18 3.632(4) .
Cs1 C1 3.641(4) .
Cs1 C14 3.643(4) .
Cs1 C13 3.671(4) .
Cs1 C10 3.691(4) 2_677
Cs1 C10 3.700(4) .
Na1 N2 2.336(4) .
Na1 N1 2.362(3) .
Na1 C4 2.801(5) .
Na1 C2 2.871(4) 2_566
Na1 Si2 3.1335(18) .
Na1 Si3 3.2742(19) .
Na1 Si4 3.4002(18) .
Si1 N1 1.674(3) .
Si1 C1 1.886(4) .
Si1 C3 1.886(4) .
Si1 C2 1.893(4) .
Si2 N1 1.687(3) .
Si2 C5 1.871(5) .
Si2 C6 1.879(5) .
Si2 C4 1.880(4) .
Si3 N2 1.684(3) .
Si3 C8 1.879(4) .
Si3 C9 1.884(4) .
Si3 C7 1.890(4) .
Si4 N2 1.685(3) .
Si4 C11 1.882(4) .
Si4 C12 1.883(4) .
Si4 C10 1.895(4) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 Na1 2.871(4) 2_566
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 Cs1 3.691(4) 2_677
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 C18 1.389(6) .
C13 C14 1.398(6) .
C13 C19 1.512(6) .
C14 C15 1.380(7) .
C14 H14 0.9500 .
C15 C16 1.392(7) .
C15 H15 0.9500 .
C16 C17 1.376(7) .
C16 H16 0.9500 .
C17 C18 1.374(6) .
C17 H17 0.9500 .
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_4
C1 Si1 N1 Si2 138.3(2) .
C3 Si1 N1 Si2 17.2(3) .
C2 Si1 N1 Si2 -102.8(3) .
Cs1 Si1 N1 Si2 131.3(3) .
C1 Si1 N1 Na1 -83.1(2) .
C3 Si1 N1 Na1 155.81(19) .
C2 Si1 N1 Na1 35.7(3) .
Cs1 Si1 N1 Na1 -90.12(19) .
C1 Si1 N1 Cs1 7.0(2) .
C3 Si1 N1 Cs1 -114.07(18) .
C2 Si1 N1 Cs1 125.84(18) .
C5 Si2 N1 Si1 -91.7(3) .
C6 Si2 N1 Si1 33.1(4) .
C4 Si2 N1 Si1 151.2(2) .
Na1 Si2 N1 Si1 145.2(3) .
Cs1 Si2 N1 Si1 -131.7(3) .
C5 Si2 N1 Na1 123.1(3) .
C6 Si2 N1 Na1 -112.1(3) .
C4 Si2 N1 Na1 6.0(2) .
Cs1 Si2 N1 Na1 83.06(13) .
C5 Si2 N1 Cs1 40.0(3) .
C6 Si2 N1 Cs1 164.8(2) .
C4 Si2 N1 Cs1 -77.03(19) .
Na1 Si2 N1 Cs1 -83.06(13) .
C8 Si3 N2 Si4 56.9(3) .
C9 Si3 N2 Si4 -67.4(3) .
C7 Si3 N2 Si4 174.8(3) .
Na1 Si3 N2 Si4 139.4(3) .
Cs1 Si3 N2 Si4 -133.8(3) .
C8 Si3 N2 Na1 -82.5(2) .
C9 Si3 N2 Na1 153.20(18) .
C7 Si3 N2 Na1 35.4(3) .
Cs1 Si3 N2 Na1 86.80(15) .
C8 Si3 N2 Cs1 -169.26(16) .
C9 Si3 N2 Cs1 66.4(2) .
C7 Si3 N2 Cs1 -51.4(2) .
Na1 Si3 N2 Cs1 -86.80(15) .
C11 Si4 N2 Si3 19.4(3) .
C12 Si4 N2 Si3 -104.1(3) .
C10 Si4 N2 Si3 138.2(2) .
Na1 Si4 N2 Si3 -137.1(3) .
Cs1 Si4 N2 Si3 132.9(3) .
C11 Si4 N2 Na1 156.49(18) .
C12 Si4 N2 Na1 33.0(2) .
C10 Si4 N2 Na1 -84.8(2) .
Cs1 Si4 N2 Na1 -90.04(17) .
C11 Si4 N2 Cs1 -113.47(18) .
C12 Si4 N2 Cs1 123.02(17) .
C10 Si4 N2 Cs1 5.3(2) .
Na1 Si4 N2 Cs1 90.04(17) .
N1 Si1 C1 Cs1 -5.78(17) .
C3 Si1 C1 Cs1 122.32(15) .
C2 Si1 C1 Cs1 -127.03(17) .
N1 Si1 C2 Na1 24.9(7) 2_566
C1 Si1 C2 Na1 147.7(6) 2_566
C3 Si1 C2 Na1 -102.1(6) 2_566
Cs1 Si1 C2 Na1 77.0(7) 2_566
N1 Si2 C4 Na1 -5.06(18) .
C5 Si2 C4 Na1 -127.4(2) .
C6 Si2 C4 Na1 120.8(2) .
Cs1 Si2 C4 Na1 -52.44(9) .
N2 Si4 C10 Cs1 -171.6(5) 2_677
C11 Si4 C10 Cs1 -45.3(6) 2_677
C12 Si4 C10 Cs1 66.0(6) 2_677
Na1 Si4 C10 Cs1 148.5(5) 2_677
Cs1 Si4 C10 Cs1 -167.5(6) 2_677
N2 Si4 C10 Cs1 -4.16(18) .
C11 Si4 C10 Cs1 122.16(15) .
C12 Si4 C10 Cs1 -126.55(15) .
Na1 Si4 C10 Cs1 -44.02(10) .
C18 C13 C14 C15 -0.4(6) .
C19 C13 C14 C15 -179.5(4) .
Cs1 C13 C14 C15 -68.8(4) .
C18 C13 C14 Cs1 68.4(3) .
C19 C13 C14 Cs1 -110.7(4) .
C13 C14 C15 C16 0.9(6) .
Cs1 C14 C15 C16 -69.4(4) .
C13 C14 C15 Cs1 70.3(3) .
C14 C15 C16 C17 -0.8(6) .
Cs1 C15 C16 C17 -72.0(4) .
C14 C15 C16 Cs1 71.2(4) .
C15 C16 C17 C18 0.2(7) .
Cs1 C16 C17 C18 -72.3(4) .
C15 C16 C17 Cs1 72.5(4) .
C16 C17 C18 C13 0.3(6) .
Cs1 C17 C18 C13 -70.5(4) .
C16 C17 C18 Cs1 70.8(4) .
C14 C13 C18 C17 -0.2(6) .
C19 C13 C18 C17 178.9(4) .
Cs1 C13 C18 C17 68.4(4) .
C14 C13 C18 Cs1 -68.6(3) .
C19 C13 C18 Cs1 110.5(4) .
