#------------------------------------------------------------------------------
#$Date: 2019-11-05 11:17:36 +0200 (Tue, 05 Nov 2019) $
#$Revision: 223299 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/15/7701547.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_7701547
loop_
_publ_author_name
'Schüler, Philipp'
'Görls, Helmar'
'Westerhausen, Matthias'
'Krieck, Sven'
_publ_section_title
;
 Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether
 and amine ligands.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8966
_journal_page_last               8975
_journal_paper_doi               10.1039/c9dt01426h
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C20 H56 Cs2 N2 O4 Si4'
_chemical_formula_sum            'C20 H56 Cs2 N2 O4 Si4'
_chemical_formula_weight         766.85
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2019-04-01 deposited with the CCDC.	2019-05-10 downloaded from the CCDC.
;
_cell_angle_alpha                101.900(2)
_cell_angle_beta                 99.249(2)
_cell_angle_gamma                108.487(2)
_cell_formula_units_Z            2
_cell_length_a                   10.9375(3)
_cell_length_b                   11.4382(4)
_cell_length_c                   16.0225(7)
_cell_measurement_reflns_used    16971
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.95
_cell_volume                     1804.14(12)
_computing_cell_refinement       DENZO
_computing_data_collection       COLLECT
_computing_data_reduction        DENZO
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.874
_diffrn_measured_fraction_theta_max 0.874
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi- + omega-scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0680
_diffrn_reflns_av_sigmaI/netI    0.0819
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16971
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    2.177
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4738
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker-AXS, 2002'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.116
_exptl_crystal_size_mid          0.108
_exptl_crystal_size_min          0.102
_refine_diff_density_max         2.543
_refine_diff_density_min         -2.462
_refine_diff_density_rms         0.368
_refine_ls_extinction_coef       0.033(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         7216
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.1022
_refine_ls_R_factor_gt           0.0837
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1382P)²+6.2335P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2058
_refine_ls_wR_factor_ref         0.2247
_reflns_number_gt                5970
_reflns_number_total             7216
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9dt01426h2.cif
_cod_data_source_block           FO6427
_cod_original_cell_volume        1804.14(11)
_cod_database_code               7701547
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cs1A Cs 0.70815(4) 1.06784(4) 0.04710(3) 0.0315(2) Uani 1 1 d .
Si1A Si 0.4648(2) 0.9752(2) 0.19673(14) 0.0295(5) Uani 1 1 d .
Si2A Si 0.4727(2) 0.73784(19) 0.07741(15) 0.0301(5) Uani 1 1 d .
O1A O 0.9564(7) 1.0187(6) 0.1450(4) 0.0475(16) Uani 1 1 d .
O2A O 1.0040(6) 1.2248(7) 0.0671(5) 0.0467(16) Uani 1 1 d .
N1A N 0.4828(7) 0.8909(6) 0.1051(4) 0.0299(14) Uani 1 1 d .
C1A C 0.4495(9) 1.1301(8) 0.1826(6) 0.0375(18) Uani 1 1 d .
H1AA H 0.3629 1.1118 0.1437 0.056 Uiso 1 1 calc R
H1AB H 0.5204 1.1731 0.1568 0.056 Uiso 1 1 calc R
H1AC H 0.4572 1.1859 0.2401 0.056 Uiso 1 1 calc R
C2A C 0.3111(8) 0.8951(9) 0.2348(7) 0.045(2) Uani 1 1 d .
H2AA H 0.2312 0.8832 0.1911 0.067 Uiso 1 1 calc R
H2AB H 0.3130 0.9494 0.2914 0.067 Uiso 1 1 calc R
H2AC H 0.3099 0.8115 0.2416 0.067 Uiso 1 1 calc R
C3A C 0.6104(8) 1.0279(8) 0.2959(6) 0.0385(19) Uani 1 1 d .
H3AA H 0.6930 1.0706 0.2803 0.058 Uiso 1 1 calc R
H3AB H 0.6156 0.9528 0.3144 0.058 Uiso 1 1 calc R
H3AC H 0.5978 1.0876 0.3442 0.058 Uiso 1 1 calc R
C4A C 0.3103(10) 0.6266(9) 0.0019(9) 0.067(4) Uani 1 1 d .
H4AA H 0.2958 0.6541 -0.0516 0.100 Uiso 1 1 calc R
H4AB H 0.2384 0.6277 0.0312 0.100 Uiso 1 1 calc R
H4AC H 0.3112 0.5394 -0.0135 0.100 Uiso 1 1 calc R
C5A C 0.4984(13) 0.6645(10) 0.1704(7) 0.057(3) Uani 1 1 d .
H5AA H 0.5828 0.7188 0.2128 0.086 Uiso 1 1 calc R
H5AB H 0.5003 0.5790 0.1473 0.086 Uiso 1 1 calc R
H5AC H 0.4253 0.6574 0.1997 0.086 Uiso 1 1 calc R
C6A C 0.5997(10) 0.7163(8) 0.0155(7) 0.050(2) Uani 1 1 d .
H6AA H 0.5930 0.7527 -0.0345 0.074 Uiso 1 1 calc R
H6AB H 0.5834 0.6247 -0.0058 0.074 Uiso 1 1 calc R
H6AC H 0.6889 0.7602 0.0547 0.074 Uiso 1 1 calc R
C7A C 0.9252(12) 0.9604(11) 0.2121(8) 0.058(3) Uani 1 1 d .
H7AA H 0.8449 0.8831 0.1878 0.087 Uiso 1 1 calc R
H7AB H 0.9098 1.0205 0.2587 0.087 Uiso 1 1 calc R
H7AC H 0.9994 0.9371 0.2366 0.087 Uiso 1 1 calc R
C8A C 1.0731(9) 1.1286(10) 0.1743(7) 0.049(2) Uani 1 1 d .
H8AA H 1.1481 1.1060 0.2003 0.058 Uiso 1 1 calc R
H8AB H 1.0617 1.1937 0.2204 0.058 Uiso 1 1 calc R
C9A C 1.1043(8) 1.1828(11) 0.0999(7) 0.048(2) Uani 1 1 d .
H9AA H 1.1905 1.2556 0.1204 0.057 Uiso 1 1 calc R
H9AB H 1.1119 1.1166 0.0526 0.057 Uiso 1 1 calc R
C10A C 1.0354(12) 1.2882(13) 0.0012(9) 0.066(3) Uani 1 1 d .
H10A H 1.1177 1.3632 0.0262 0.099 Uiso 1 1 calc R
H10B H 0.9628 1.3158 -0.0200 0.099 Uiso 1 1 calc R
H10C H 1.0471 1.2292 -0.0480 0.099 Uiso 1 1 calc R
Cs1B Cs 0.78658(4) 0.39599(5) 0.46225(3) 0.0324(2) Uani 1 1 d .
Si1B Si 0.9852(2) 0.52959(19) 0.29468(14) 0.0295(5) Uani 1 1 d .
Si2B Si 0.9748(2) 0.74471(19) 0.43485(14) 0.0281(5) Uani 1 1 d .
O1B O 0.5088(6) 0.2828(6) 0.5131(4) 0.0395(14) Uani 1 1 d .
O2B O 0.5159(5) 0.3878(5) 0.3691(4) 0.0342(12) Uani 1 1 d .
N1B N 0.9738(6) 0.5984(6) 0.3943(4) 0.0293(13) Uani 1 1 d .
C1B C 1.1492(9) 0.5078(9) 0.2948(7) 0.047(2) Uani 1 1 d .
H1BA H 1.1635 0.4570 0.3352 0.070 Uiso 1 1 calc R
H1BB H 1.2213 0.5919 0.3141 0.070 Uiso 1 1 calc R
H1BC H 1.1480 0.4633 0.2353 0.070 Uiso 1 1 calc R
C2B C 0.9612(10) 0.6112(8) 0.2074(6) 0.042(2) Uani 1 1 d .
H2BA H 0.8695 0.6083 0.1946 0.063 Uiso 1 1 calc R
H2BB H 0.9791 0.5674 0.1540 0.063 Uiso 1 1 calc R
H2BC H 1.0225 0.7007 0.2277 0.063 Uiso 1 1 calc R
C3B C 0.8600(8) 0.3595(7) 0.2470(6) 0.0367(19) Uani 1 1 d .
H3BA H 0.8781 0.3059 0.2842 0.055 Uiso 1 1 calc R
H3BB H 0.8673 0.3250 0.1875 0.055 Uiso 1 1 calc R
H3BC H 0.7700 0.3598 0.2447 0.055 Uiso 1 1 calc R
C4B C 0.8355(9) 0.7835(9) 0.3775(6) 0.043(2) Uani 1 1 d .
H4BA H 0.7509 0.7284 0.3846 0.064 Uiso 1 1 calc R
H4BB H 0.8337 0.7689 0.3147 0.064 Uiso 1 1 calc R
H4BC H 0.8490 0.8735 0.4030 0.064 Uiso 1 1 calc R
C5B C 1.1327(9) 0.8797(8) 0.4392(7) 0.045(2) Uani 1 1 d .
H5BA H 1.1436 0.8769 0.3794 0.068 Uiso 1 1 calc R
H5BB H 1.2091 0.8699 0.4741 0.068 Uiso 1 1 calc R
H5BC H 1.1269 0.9622 0.4663 0.068 Uiso 1 1 calc R
C6B C 0.9614(10) 0.7704(9) 0.5527(6) 0.044(2) Uani 1 1 d .
H6BA H 0.8838 0.7014 0.5566 0.066 Uiso 1 1 calc R
H6BB H 0.9516 0.8531 0.5731 0.066 Uiso 1 1 calc R
H6BC H 1.0419 0.7701 0.5896 0.066 Uiso 1 1 calc R
C7B C 0.5075(10) 0.1884(10) 0.5576(7) 0.050(2) Uani 1 1 d .
H7BA H 0.5886 0.2199 0.6049 0.075 Uiso 1 1 calc R
H7BB H 0.5033 0.1102 0.5162 0.075 Uiso 1 1 calc R
H7BC H 0.4297 0.1693 0.5825 0.075 Uiso 1 1 calc R
C8B C 0.4002(8) 0.2382(8) 0.4393(6) 0.0349(17) Uani 1 1 d .
H8BA H 0.3162 0.2058 0.4574 0.042 Uiso 1 1 calc R
H8BB H 0.4067 0.1667 0.3956 0.042 Uiso 1 1 calc R
C9B C 0.4001(8) 0.3447(9) 0.3992(7) 0.042(2) Uani 1 1 d .
H9BA H 0.3210 0.3146 0.3495 0.050 Uiso 1 1 calc R
H9BB H 0.3952 0.4165 0.4434 0.050 Uiso 1 1 calc R
C10B C 0.5076(10) 0.4684(9) 0.3132(7) 0.044(2) Uani 1 1 d .
H10D H 0.4304 0.4225 0.2631 0.065 Uiso 1 1 calc R
H10E H 0.5887 0.4921 0.2918 0.065 Uiso 1 1 calc R
H10F H 0.4982 0.5459 0.3462 0.065 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 '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
N1A Cs1A O2A 152.57(19) . .
N1A Cs1A N1A 94.78(17) . 2_675
O2A Cs1A N1A 112.52(18) . 2_675
N1A Cs1A O1A 100.74(18) . .
O2A Cs1A O1A 53.73(19) . .
N1A Cs1A O1A 158.99(18) 2_675 .
N1A Cs1A Si1A 23.85(12) . .
O2A Cs1A Si1A 138.74(14) . .
N1A Cs1A Si1A 99.76(13) 2_675 .
O1A Cs1A Si1A 100.15(14) . .
N1A Cs1A Si1A 101.40(13) . 2_675
O2A Cs1A Si1A 104.69(14) . 2_675
N1A Cs1A Si1A 24.27(12) 2_675 2_675
O1A Cs1A Si1A 136.38(13) . 2_675
Si1A Cs1A Si1A 114.79(4) . 2_675
N1A Cs1A Si2A 22.74(12) . .
O2A Cs1A Si2A 141.23(14) . .
N1A Cs1A Si2A 101.33(12) 2_675 .
O1A Cs1A Si2A 88.22(13) . .
Si1A Cs1A Si2A 44.74(4) . .
Si1A Cs1A Si2A 98.40(4) 2_675 .
N1A Cs1A Si2A 102.96(13) . 2_675
O2A Cs1A Si2A 101.48(14) . 2_675
N1A Cs1A Si2A 23.29(11) 2_675 2_675
O1A Cs1A Si2A 155.04(13) . 2_675
Si1A Cs1A Si2A 98.37(5) . 2_675
Si1A Cs1A Si2A 44.64(4) 2_675 2_675
Si2A Cs1A Si2A 116.74(4) . 2_675
N1A Cs1A Cs1A 48.37(13) . 2_675
O2A Cs1A Cs1A 158.80(14) . 2_675
N1A Cs1A Cs1A 46.41(12) 2_675 2_675
O1A Cs1A Cs1A 146.69(13) . 2_675
Si1A Cs1A Cs1A 57.48(3) . 2_675
Si1A Cs1A Cs1A 57.31(3) 2_675 2_675
Si2A Cs1A Cs1A 58.47(4) . 2_675
Si2A Cs1A Cs1A 58.26(3) 2_675 2_675
N1A Si1A C1A 110.8(4) . .
N1A Si1A C3A 114.9(4) . .
C1A Si1A C3A 104.1(4) . .
N1A Si1A C2A 115.8(4) . .
C1A Si1A C2A 104.4(4) . .
C3A Si1A C2A 105.7(4) . .
N1A Si1A Cs1A 48.2(2) . .
C1A Si1A Cs1A 78.3(3) . .
C3A Si1A Cs1A 90.7(3) . .
C2A Si1A Cs1A 161.9(3) . .
N1A Si1A Cs1A 51.5(2) . 2_675
C1A Si1A Cs1A 69.4(3) . 2_675
C3A Si1A Cs1A 155.7(3) . 2_675
C2A Si1A Cs1A 98.6(3) . 2_675
Cs1A Si1A Cs1A 65.21(4) . 2_675
N1A Si2A C4A 113.1(4) . .
N1A Si2A C6A 112.0(4) . .
C4A Si2A C6A 104.3(5) . .
N1A Si2A C5A 116.6(4) . .
C4A Si2A C5A 105.4(6) . .
C6A Si2A C5A 104.3(5) . .
N1A Si2A Cs1A 44.9(2) . .
C4A Si2A Cs1A 126.5(4) . .
C6A Si2A Cs1A 67.1(3) . .
C5A Si2A Cs1A 128.1(4) . .
N1A Si2A Cs1A 48.2(2) . 2_675
C4A Si2A Cs1A 69.5(4) . 2_675
C6A Si2A Cs1A 105.1(4) . 2_675
C5A Si2A Cs1A 150.5(4) . 2_675
Cs1A Si2A Cs1A 63.26(4) . 2_675
C8A O1A C7A 112.9(8) . .
C8A O1A Cs1A 113.2(6) . .
C7A O1A Cs1A 111.0(7) . .
C9A O2A C10A 112.2(8) . .
C9A O2A Cs1A 121.0(6) . .
C10A O2A Cs1A 117.1(6) . .
Si1A N1A Si2A 129.3(4) . .
Si1A N1A Cs1A 107.9(3) . .
Si2A N1A Cs1A 112.4(3) . .
Si1A N1A Cs1A 104.2(3) . 2_675
Si2A N1A Cs1A 108.5(3) . 2_675
Cs1A N1A Cs1A 85.22(17) . 2_675
Si1A C1A H1AA 109.5 . .
Si1A C1A H1AB 109.5 . .
H1AA C1A H1AB 109.5 . .
Si1A C1A H1AC 109.5 . .
H1AA C1A H1AC 109.5 . .
H1AB C1A H1AC 109.5 . .
Si1A C2A H2AA 109.5 . .
Si1A C2A H2AB 109.5 . .
H2AA C2A H2AB 109.5 . .
Si1A C2A H2AC 109.5 . .
H2AA C2A H2AC 109.5 . .
H2AB C2A H2AC 109.5 . .
Si1A C3A H3AA 109.5 . .
Si1A C3A H3AB 109.5 . .
H3AA C3A H3AB 109.5 . .
Si1A C3A H3AC 109.5 . .
H3AA C3A H3AC 109.5 . .
H3AB C3A H3AC 109.5 . .
Si2A C4A H4AA 109.5 . .
Si2A C4A H4AB 109.5 . .
H4AA C4A H4AB 109.5 . .
Si2A C4A H4AC 109.5 . .
H4AA C4A H4AC 109.5 . .
H4AB C4A H4AC 109.5 . .
Si2A C5A H5AA 109.5 . .
Si2A C5A H5AB 109.5 . .
H5AA C5A H5AB 109.5 . .
Si2A C5A H5AC 109.5 . .
H5AA C5A H5AC 109.5 . .
H5AB C5A H5AC 109.5 . .
Si2A C6A H6AA 109.5 . .
Si2A C6A H6AB 109.5 . .
H6AA C6A H6AB 109.5 . .
Si2A C6A H6AC 109.5 . .
H6AA C6A H6AC 109.5 . .
H6AB C6A H6AC 109.5 . .
O1A C7A H7AA 109.5 . .
O1A C7A H7AB 109.5 . .
H7AA C7A H7AB 109.5 . .
O1A C7A H7AC 109.5 . .
H7AA C7A H7AC 109.5 . .
H7AB C7A H7AC 109.5 . .
O1A C8A C9A 110.6(8) . .
O1A C8A H8AA 109.5 . .
C9A C8A H8AA 109.5 . .
O1A C8A H8AB 109.5 . .
C9A C8A H8AB 109.5 . .
H8AA C8A H8AB 108.1 . .
O2A C9A C8A 110.2(7) . .
O2A C9A H9AA 109.6 . .
C8A C9A H9AA 109.6 . .
O2A C9A H9AB 109.6 . .
C8A C9A H9AB 109.6 . .
H9AA C9A H9AB 108.1 . .
O2A C10A H10A 109.5 . .
O2A C10A H10B 109.5 . .
H10A C10A H10B 109.5 . .
O2A C10A H10C 109.5 . .
H10A C10A H10C 109.5 . .
H10B C10A H10C 109.5 . .
O2B Cs1B N1B 100.75(17) . .
O2B Cs1B N1B 163.01(17) . 2_766
N1B Cs1B N1B 91.97(18) . 2_766
O2B Cs1B O1B 53.26(16) . .
N1B Cs1B O1B 149.43(18) . .
N1B Cs1B O1B 111.02(17) 2_766 .
O2B Cs1B Si2B 154.68(11) . 2_766
N1B Cs1B Si2B 101.22(13) . 2_766
N1B Cs1B Si2B 25.52(11) 2_766 2_766
O1B Cs1B Si2B 108.15(13) . 2_766
O2B Cs1B Si1B 96.67(12) . .
N1B Cs1B Si1B 23.39(12) . .
N1B Cs1B Si1B 99.42(13) 2_766 .
O1B Cs1B Si1B 149.51(12) . .
Si2B Cs1B Si1B 98.50(5) 2_766 .
O2B Cs1B Si2B 92.36(11) . .
N1B Cs1B Si2B 22.48(12) . .
N1B Cs1B Si2B 95.30(12) 2_766 .
O1B Cs1B Si2B 130.40(12) . .
Si2B Cs1B Si2B 112.62(4) 2_766 .
Si1B Cs1B Si2B 44.38(4) . .
O2B Cs1B Si1B 141.24(11) . 2_766
N1B Cs1B Si1B 99.53(12) . 2_766
N1B Cs1B Si1B 23.04(12) 2_766 2_766
O1B Cs1B Si1B 95.31(12) . 2_766
Si2B Cs1B Si1B 45.11(4) 2_766 2_766
Si1B Cs1B Si1B 114.23(4) . 2_766
Si2B Cs1B Si1B 93.98(4) . 2_766
O2B Cs1B Cs1B 146.13(11) . 2_766
N1B Cs1B Cs1B 46.84(13) . 2_766
N1B Cs1B Cs1B 45.14(12) 2_766 2_766
O1B Cs1B Cs1B 150.75(11) . 2_766
Si2B Cs1B Cs1B 58.62(3) 2_766 2_766
Si1B Cs1B Cs1B 57.89(3) . 2_766
Si2B Cs1B Cs1B 54.00(3) . 2_766
Si1B Cs1B Cs1B 56.34(3) 2_766 2_766
N1B Si1B C2B 116.8(4) . .
N1B Si1B C1B 113.4(4) . .
C2B Si1B C1B 105.3(5) . .
N1B Si1B C3B 112.5(4) . .
C2B Si1B C3B 104.7(4) . .
C1B Si1B C3B 102.8(4) . .
N1B Si1B Cs1B 47.1(2) . .
C2B Si1B Cs1B 137.3(3) . .
C1B Si1B Cs1B 117.4(4) . .
C3B Si1B Cs1B 66.1(3) . .
N1B Si1B Cs1B 48.0(2) . 2_766
C2B Si1B Cs1B 139.9(3) . 2_766
C1B Si1B Cs1B 66.3(3) . 2_766
C3B Si1B Cs1B 115.3(3) . 2_766
Cs1B Si1B Cs1B 65.77(4) . 2_766
N1B Si2B C4B 115.8(4) . .
N1B Si2B C6B 110.9(4) . .
C4B Si2B C6B 104.7(4) . .
N1B Si2B C5B 114.6(4) . .
C4B Si2B C5B 105.5(5) . .
C6B Si2B C5B 104.3(4) . .
N1B Si2B Cs1B 55.3(2) . 2_766
C4B Si2B Cs1B 169.7(3) . 2_766
C6B Si2B Cs1B 76.2(3) . 2_766
C5B Si2B Cs1B 84.0(3) . 2_766
N1B Si2B Cs1B 45.2(2) . .
C4B Si2B Cs1B 102.8(3) . .
C6B Si2B Cs1B 73.7(3) . .
C5B Si2B Cs1B 151.1(3) . .
Cs1B Si2B Cs1B 67.38(4) 2_766 .
C8B O1B C7B 111.8(7) . .
C8B O1B Cs1B 111.8(5) . .
C7B O1B Cs1B 112.1(6) . .
C9B O2B C10B 112.8(7) . .
C9B O2B Cs1B 123.2(5) . .
C10B O2B Cs1B 120.3(5) . .
Si2B N1B Si1B 129.7(4) . .
Si2B N1B Cs1B 112.4(3) . .
Si1B N1B Cs1B 109.5(3) . .
Si2B N1B Cs1B 99.2(3) . 2_766
Si1B N1B Cs1B 109.0(3) . 2_766
Cs1B N1B Cs1B 88.03(18) . 2_766
Si1B C1B H1BA 109.5 . .
Si1B C1B H1BB 109.5 . .
H1BA C1B H1BB 109.5 . .
Si1B C1B H1BC 109.5 . .
H1BA C1B H1BC 109.5 . .
H1BB C1B H1BC 109.5 . .
Si1B C2B H2BA 109.5 . .
Si1B C2B H2BB 109.5 . .
H2BA C2B H2BB 109.5 . .
Si1B C2B H2BC 109.5 . .
H2BA C2B H2BC 109.5 . .
H2BB C2B H2BC 109.5 . .
Si1B C3B H3BA 109.5 . .
Si1B C3B H3BB 109.5 . .
H3BA C3B H3BB 109.5 . .
Si1B C3B H3BC 109.5 . .
H3BA C3B H3BC 109.5 . .
H3BB C3B H3BC 109.5 . .
Si2B C4B H4BA 109.5 . .
Si2B C4B H4BB 109.5 . .
H4BA C4B H4BB 109.5 . .
Si2B C4B H4BC 109.5 . .
H4BA C4B H4BC 109.5 . .
H4BB C4B H4BC 109.5 . .
Si2B C5B H5BA 109.5 . .
Si2B C5B H5BB 109.5 . .
H5BA C5B H5BB 109.5 . .
Si2B C5B H5BC 109.5 . .
H5BA C5B H5BC 109.5 . .
H5BB C5B H5BC 109.5 . .
Si2B C6B H6BA 109.5 . .
Si2B C6B H6BB 109.5 . .
H6BA C6B H6BB 109.5 . .
Si2B C6B H6BC 109.5 . .
H6BA C6B H6BC 109.5 . .
H6BB C6B H6BC 109.5 . .
O1B C7B H7BA 109.5 . .
O1B C7B H7BB 109.5 . .
H7BA C7B H7BB 109.5 . .
O1B C7B H7BC 109.5 . .
H7BA C7B H7BC 109.5 . .
H7BB C7B H7BC 109.5 . .
O1B C8B C9B 109.6(7) . .
O1B C8B H8BA 109.8 . .
C9B C8B H8BA 109.8 . .
O1B C8B H8BB 109.8 . .
C9B C8B H8BB 109.8 . .
H8BA C8B H8BB 108.2 . .
O2B C9B C8B 110.6(7) . .
O2B C9B H9BA 109.5 . .
C8B C9B H9BA 109.5 . .
O2B C9B H9BB 109.5 . .
C8B C9B H9BB 109.5 . .
H9BA C9B H9BB 108.1 . .
O2B C10B H10D 109.5 . .
O2B C10B H10E 109.5 . .
H10D C10B H10E 109.5 . .
O2B C10B H10F 109.5 . .
H10D C10B H10F 109.5 . .
H10E C10B H10F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cs1A N1A 3.063(7) .
Cs1A O2A 3.089(6) .
Cs1A N1A 3.162(7) 2_675
Cs1A O1A 3.180(7) .
Cs1A Si1A 3.907(2) .
Cs1A Si1A 3.915(2) 2_675
Cs1A Si2A 4.014(2) .
Cs1A Si2A 4.023(2) 2_675
Cs1A Cs1A 4.2147(9) 2_675
Si1A N1A 1.660(7) .
Si1A C1A 1.887(9) .
Si1A C3A 1.900(9) .
Si1A C2A 1.903(9) .
Si1A Cs1A 3.915(2) 2_675
Si2A N1A 1.677(6) .
Si2A C4A 1.865(9) .
Si2A C6A 1.879(9) .
Si2A C5A 1.880(11) .
Si2A Cs1A 4.023(2) 2_675
O1A C8A 1.406(11) .
O1A C7A 1.410(13) .
O2A C9A 1.401(12) .
O2A C10A 1.427(13) .
N1A Cs1A 3.161(7) 2_675
C1A H1AA 0.9800 .
C1A H1AB 0.9800 .
C1A H1AC 0.9800 .
C2A H2AA 0.9800 .
C2A H2AB 0.9800 .
C2A H2AC 0.9800 .
C3A H3AA 0.9800 .
C3A H3AB 0.9800 .
C3A H3AC 0.9800 .
C4A H4AA 0.9800 .
C4A H4AB 0.9800 .
C4A H4AC 0.9800 .
C5A H5AA 0.9800 .
C5A H5AB 0.9800 .
C5A H5AC 0.9800 .
C6A H6AA 0.9800 .
C6A H6AB 0.9800 .
C6A H6AC 0.9800 .
C7A H7AA 0.9800 .
C7A H7AB 0.9800 .
C7A H7AC 0.9800 .
C8A C9A 1.490(15) .
C8A H8AA 0.9900 .
C8A H8AB 0.9900 .
C9A H9AA 0.9900 .
C9A H9AB 0.9900 .
C10A H10A 0.9800 .
C10A H10B 0.9800 .
C10A H10C 0.9800 .
Cs1B O2B 3.057(6) .
Cs1B N1B 3.081(7) .
Cs1B N1B 3.171(7) 2_766
Cs1B O1B 3.210(6) .
Cs1B Si2B 3.807(2) 2_766
Cs1B Si1B 3.965(2) .
Cs1B Si2B 4.018(2) .
Cs1B Si1B 4.035(2) 2_766
Cs1B Cs1B 4.3443(8) 2_766
Si1B N1B 1.670(7) .
Si1B C2B 1.863(9) .
Si1B C1B 1.887(9) .
Si1B C3B 1.899(7) .
Si1B Cs1B 4.035(2) 2_766
Si2B N1B 1.661(6) .
Si2B C4B 1.874(10) .
Si2B C6B 1.887(9) .
Si2B C5B 1.897(8) .
Si2B Cs1B 3.807(2) 2_766
O1B C8B 1.409(10) .
O1B C7B 1.409(12) .
O2B C9B 1.406(10) .
O2B C10B 1.424(11) .
N1B Cs1B 3.171(7) 2_766
C1B H1BA 0.9800 .
C1B H1BB 0.9800 .
C1B H1BC 0.9800 .
C2B H2BA 0.9800 .
C2B H2BB 0.9800 .
C2B H2BC 0.9800 .
C3B H3BA 0.9800 .
C3B H3BB 0.9800 .
C3B H3BC 0.9800 .
C4B H4BA 0.9800 .
C4B H4BB 0.9800 .
C4B H4BC 0.9800 .
C5B H5BA 0.9800 .
C5B H5BB 0.9800 .
C5B H5BC 0.9800 .
C6B H6BA 0.9800 .
C6B H6BB 0.9800 .
C6B H6BC 0.9800 .
C7B H7BA 0.9800 .
C7B H7BB 0.9800 .
C7B H7BC 0.9800 .
C8B C9B 1.489(13) .
C8B H8BA 0.9900 .
C8B H8BB 0.9900 .
C9B H9BA 0.9900 .
C9B H9BB 0.9900 .
C10B H10D 0.9800 .
C10B H10E 0.9800 .
C10B H10F 0.9800 .
