#------------------------------------------------------------------------------
#$Date: 2023-07-05 11:49:20 +0300 (Wed, 05 Jul 2023) $
#$Revision: 284841 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/17/7131730.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_7131730
loop_
_publ_author_name
'Barker, Jordan'
'Davison, Nathan'
'Waddell, Paul G.'
'Lu, Erli'
_publ_section_title
;
 Monomeric lithium and sodium silylbenzyl complexes: syntheses,
 structures, and CO bond olefination.
;
_journal_issue                   52
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              8083
_journal_page_last               8086
_journal_paper_doi               10.1039/d3cc01376f
_journal_volume                  59
_journal_year                    2023
_chemical_formula_moiety         'C22 H45 N4 Na Si'
_chemical_formula_sum            'C22 H45 N4 Na Si'
_chemical_formula_weight         416.70
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-03-13
_audit_creation_method
;
Olex2 1.5-ac5-023
(compiled 2022.04.12 svn.rca3783a0 for Rigaku Oxford Diffraction, GUI svn.r6498)
;
_audit_update_record
;
2023-03-20 deposited with the CCDC.	2023-05-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.389(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.0881(6)
_cell_length_b                   9.6060(4)
_cell_length_c                   20.0799(8)
_cell_measurement_reflns_used    9889
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      78.2940
_cell_measurement_theta_min      3.1950
_cell_volume                     2654.14(19)
_computing_cell_refinement       'CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5-ac5-023 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac5-023 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.0(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 100'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.919
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     56.00  81.00   0.50    5.04    --   49.01  40.00 -75.00   50
  2  ω    -30.00  10.00   0.50    5.04    --   49.01 -40.00 130.00   80
  3  ω   -123.00 -48.00   0.50    5.04    --  -49.76 -40.00 130.00  150
  4  ω    -22.00  29.00   0.50    5.04    --  -49.76  40.00 -75.00  102
  5  ω   -168.00 -75.00   0.50    5.04    --  -92.01 -40.00 130.00  186
  6  ω    -45.00 -14.00   0.50    5.04    --  -92.01  40.00 -75.00   62
  7  ω    103.00 128.00   0.50    5.04    --   96.11  40.00 -75.00   50
  8  ω     18.00  43.00   0.50    5.04    --   96.11 -40.00 130.00   50
  9  ω    135.00 160.00   0.50    5.04    --  108.00  40.00 -75.00   50
 10  ω    -30.00  21.00   0.50    5.04    --   49.01 -19.00 -30.00  102
 11  ω   -128.00 -68.00   0.50    5.04    --  -92.01 -77.00  30.00  120
 12  ω    -51.00 -21.00   0.50    5.04    --  -92.01  45.00  30.00   60
 13  ω    -51.00 -16.00   0.50    5.04    --  -92.01  45.00  90.00   70
 14  ω    -47.00 -16.00   0.50    5.04    --  -92.01  45.00-120.00   62
 15  ω    -46.00 -14.00   0.50    5.04    --  -92.01  45.00 120.00   64
 16  ω     58.00 105.00   0.50    5.04    --   96.11 -77.00 -60.00   94
 17  ω     28.00  54.00   0.50    5.04    --   96.11 -77.00 -60.00   52
 18  ω     24.00  49.00   0.50    5.04    --   96.11 -45.00 150.00   50
 19  ω     22.00  50.00   0.50    5.04    --   96.11 -45.00-180.00   56
 20  ω     79.00 132.00   0.50    5.04    --   96.11 125.00-180.00  106
 21  ω     25.00  50.00   0.50    5.04    --   96.11 -45.00 -60.00   50
 22  ω     40.00  71.00   0.50    5.04    --  108.00 -61.00 120.00   62
 23  ω     34.00  67.00   0.50    5.04    --  108.00 -61.00 -30.00   66
 24  ω     48.00  96.00   0.50    5.04    --  108.00 -95.00-150.00   96
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'XtaLAB Synergy, Single source at home/near, HyPix-Arc 100'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0659158000
_diffrn_orient_matrix_UB_12      -0.0709509000
_diffrn_orient_matrix_UB_13      -0.0420078000
_diffrn_orient_matrix_UB_21      0.0736190000
_diffrn_orient_matrix_UB_22      -0.0357049000
_diffrn_orient_matrix_UB_23      0.0663019000
_diffrn_orient_matrix_UB_31      -0.0525700000
_diffrn_orient_matrix_UB_32      -0.1392614000
_diffrn_orient_matrix_UB_33      0.0043527000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0232
_diffrn_reflns_av_unetI/netI     0.0236
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.919
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18205
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.919
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.352
_diffrn_reflns_theta_min         3.212
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.026
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70624
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.73a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.043
_exptl_crystal_description       irregular
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.325
_refine_diff_density_min         -0.193
_refine_diff_density_rms         0.042
_refine_ls_extinction_coef       0.00049(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/1 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         5237
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0373
_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)+(0.0506P)²+0.8497P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0996
_refine_ls_wR_factor_ref         0.1029
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4605
_reflns_number_total             5237
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc01376f2.cif
_cod_data_source_block           elu230010
_cod_depositor_comments
'Adding full bibliography for 7131729--7131730.cif.'
_cod_database_code               7131730
_chemical_oxdiff_formula         'C22 H45 Na1 N4 Si1'
_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.
;
_diffrn_oxdiff_digest_frames
;
01a1f7000f6cc42f0641a2d8f29b338dbf01890695d
;
_diffrn_oxdiff_digest_hkl
;
015ec2c21a9756debc92e8f435cd03a77b7298
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B)
2.b Aromatic/amide H refined with riding coordinates:
 C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19)
2.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C),
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C20(H20A,H20B,H20C), C21(H21A,H21B,
 H21C), C22(H22A,H22B,H22C)
;
_shelx_shelxl_version_number     2019/1
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.400
_oxdiff_exptl_absorpt_empirical_full_min 0.577
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.84868(3) 0.74113(4) 0.52768(2) 0.03352(12) Uani 1 1 d . . . . .
Na1 Na 0.70704(4) 0.35473(5) 0.70015(2) 0.02773(13) Uani 1 1 d . . . . .
N1 N 0.57152(8) 0.24686(12) 0.60619(6) 0.0321(3) Uani 1 1 d . . . . .
N2 N 0.69341(9) 0.28328(12) 0.82178(6) 0.0325(3) Uani 1 1 d . . . . .
N3 N 0.86845(8) 0.28983(12) 0.67844(6) 0.0339(3) Uani 1 1 d . . . . .
N003 N 0.71959(8) 0.09065(11) 0.70903(6) 0.0312(2) Uani 1 1 d . . . . .
C1 C 0.62940(11) 0.02716(14) 0.66987(8) 0.0377(3) Uani 1 1 d . . . . .
H1A H 0.578736 0.032264 0.697166 0.045 Uiso 1 1 calc R U . . .
H1B H 0.641554 -0.072394 0.662057 0.045 Uiso 1 1 calc R U . . .
C2 C 0.59180(11) 0.09761(15) 0.60147(7) 0.0395(3) Uani 1 1 d . . . . .
H2A H 0.640434 0.085492 0.572918 0.047 Uiso 1 1 calc R U . . .
H2B H 0.531418 0.050172 0.578107 0.047 Uiso 1 1 calc R U . . .
C3 C 0.73414(11) 0.04889(14) 0.78139(7) 0.0381(3) Uani 1 1 d . . . . .
H3A H 0.803588 0.060261 0.803509 0.046 Uiso 1 1 calc R U . . .
H3B H 0.717547 -0.050869 0.783797 0.046 Uiso 1 1 calc R U . . .
C4 C 0.67294(11) 0.13332(15) 0.82029(7) 0.0379(3) Uani 1 1 d . . . . .
H4A H 0.603448 0.118468 0.799211 0.045 Uiso 1 1 calc R U . . .
H4B H 0.684305 0.098426 0.867729 0.045 Uiso 1 1 calc R U . . .
C5 C 0.80357(11) 0.04726(14) 0.68086(8) 0.0377(3) Uani 1 1 d . . . . .
H5A H 0.783312 0.042486 0.630561 0.045 Uiso 1 1 calc R U . . .
H5B H 0.823856 -0.047328 0.697703 0.045 Uiso 1 1 calc R U . . .
C6 C 0.88988(10) 0.14492(15) 0.69982(8) 0.0392(3) Uani 1 1 d . . . . .
H6A H 0.913779 0.142711 0.749909 0.047 Uiso 1 1 calc R U . . .
H6B H 0.942805 0.110215 0.678801 0.047 Uiso 1 1 calc R U . . .
C7 C 0.55269(13) 0.30754(19) 0.53754(8) 0.0488(4) Uani 1 1 d . . . . .
H7A H 0.535931 0.406141 0.540003 0.073 Uiso 1 1 calc R U . . .
H7B H 0.498584 0.258177 0.508182 0.073 Uiso 1 1 calc R U . . .
H7C H 0.610972 0.298807 0.518574 0.073 Uiso 1 1 calc R U . . .
C8 C 0.48703(11) 0.26933(17) 0.63642(9) 0.0449(4) Uani 1 1 d . . . . .
H8A H 0.501145 0.234418 0.683367 0.067 Uiso 1 1 calc R U . . .
H8B H 0.430897 0.219521 0.609676 0.067 Uiso 1 1 calc R U . . .
H8C H 0.472479 0.369085 0.636443 0.067 Uiso 1 1 calc R U . . .
C9 C 0.61995(12) 0.35533(16) 0.85090(8) 0.0413(3) Uani 1 1 d . . . . .
H9A H 0.632942 0.455633 0.852425 0.062 Uiso 1 1 calc R U . . .
H9B H 0.622528 0.320920 0.897200 0.062 Uiso 1 1 calc R U . . .
H9C H 0.555305 0.337570 0.822534 0.062 Uiso 1 1 calc R U . . .
C10 C 0.78986(12) 0.31273(18) 0.86371(8) 0.0463(4) Uani 1 1 d . . . . .
H10A H 0.839441 0.267183 0.843731 0.069 Uiso 1 1 calc R U . . .
H10B H 0.793699 0.277215 0.909964 0.069 Uiso 1 1 calc R U . . .
H10C H 0.801001 0.413493 0.865494 0.069 Uiso 1 1 calc R U . . .
C11 C 0.95221(11) 0.37719(17) 0.70700(11) 0.0520(4) Uani 1 1 d . . . . .
H11A H 0.938476 0.473650 0.692125 0.078 Uiso 1 1 calc R U . . .
H11B H 1.009245 0.343700 0.691145 0.078 Uiso 1 1 calc R U . . .
H11C H 0.965080 0.372819 0.756897 0.078 Uiso 1 1 calc R U . . .
C12 C 0.84591(13) 0.30375(18) 0.60402(9) 0.0486(4) Uani 1 1 d . . . . .
H12A H 0.900332 0.268015 0.585781 0.073 Uiso 1 1 calc R U . . .
H12B H 0.835230 0.402102 0.591696 0.073 Uiso 1 1 calc R U . . .
H12C H 0.787085 0.250451 0.584822 0.073 Uiso 1 1 calc R U . . .
C13 C 0.77913(10) 0.67058(13) 0.64927(7) 0.0299(3) Uani 1 1 d . . . . .
C14 C 0.68172(10) 0.64492(14) 0.61320(7) 0.0337(3) Uani 1 1 d . . . . .
H14 H 0.668033 0.645043 0.564768 0.040 Uiso 1 1 calc R U . . .
C15 C 0.60720(11) 0.62012(14) 0.64578(8) 0.0359(3) Uani 1 1 d . . . . .
H15 H 0.543475 0.606367 0.619216 0.043 Uiso 1 1 calc R U . . .
C16 C 0.62209(11) 0.61443(15) 0.71687(8) 0.0371(3) Uani 1 1 d . . . . .
H16 H 0.569882 0.596431 0.738746 0.044 Uiso 1 1 calc R U . . .
C17 C 0.71608(11) 0.63607(14) 0.75444(7) 0.0364(3) Uani 1 1 d . . . . .
H17 H 0.728144 0.633559 0.802821 0.044 Uiso 1 1 calc R U . . .
C18 C 0.79222(11) 0.66116(14) 0.72259(7) 0.0344(3) Uani 1 1 d . . . . .
H18 H 0.855678 0.672669 0.749955 0.041 Uiso 1 1 calc R U . . .
C19 C 0.85544(10) 0.70417(14) 0.61722(7) 0.0327(3) Uani 1 1 d . . . . .
H19 H 0.918439 0.708041 0.645969 0.039 Uiso 1 1 calc R U . . .
C20 C 0.76324(13) 0.88878(19) 0.49390(8) 0.0489(4) Uani 1 1 d . . . . .
H20A H 0.701047 0.874329 0.507284 0.073 Uiso 1 1 calc R U . . .
H20B H 0.752548 0.891524 0.444054 0.073 Uiso 1 1 calc R U . . .
H20C H 0.791826 0.977079 0.512833 0.073 Uiso 1 1 calc R U . . .
C21 C 0.80801(18) 0.5940(2) 0.46699(9) 0.0666(6) Uani 1 1 d . . . . .
H21A H 0.855908 0.518637 0.476126 0.100 Uiso 1 1 calc R U . . .
H21B H 0.801908 0.626959 0.420069 0.100 Uiso 1 1 calc R U . . .
H21C H 0.744928 0.559539 0.473029 0.100 Uiso 1 1 calc R U . . .
C22 C 0.97169(14) 0.7965(3) 0.51691(11) 0.0718(6) Uani 1 1 d . . . . .
H22A H 0.994902 0.873859 0.547946 0.108 Uiso 1 1 calc R U . . .
H22B H 0.967713 0.826513 0.469748 0.108 Uiso 1 1 calc R U . . .
H22C H 1.016955 0.718086 0.527386 0.108 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
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'
N N 0.0311 0.0180 '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'
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
_geom_angle_publ_flag
C19 Si1 C20 113.36(7) . . ?
C19 Si1 C21 116.14(8) . . ?
C19 Si1 C22 108.50(8) . . ?
C21 Si1 C20 104.49(9) . . ?
C22 Si1 C20 106.26(10) . . ?
C22 Si1 C21 107.52(11) . . ?
N1 Na1 C12 87.01(5) . . ?
N1 Na1 C15 81.98(4) . . ?
N1 Na1 C16 100.08(4) . . ?
N1 Na1 C17 127.60(4) . . ?
N2 Na1 N1 112.89(4) . . ?
N2 Na1 C12 137.66(5) . . ?
N2 Na1 C15 116.45(4) . . ?
N2 Na1 C16 90.17(4) . . ?
N2 Na1 C17 84.18(4) . . ?
N3 Na1 N1 109.30(4) . . ?
N3 Na1 N2 110.83(4) . . ?
N3 Na1 N003 73.14(4) . . ?
N3 Na1 C12 28.18(4) . . ?
N3 Na1 C15 121.62(4) . . ?
N3 Na1 C16 132.15(5) . . ?
N3 Na1 C17 109.33(4) . . ?
N003 Na1 N1 71.47(4) . . ?
N003 Na1 N2 71.78(4) . . ?
N003 Na1 C12 80.85(4) . . ?
N003 Na1 C15 153.07(4) . . ?
N003 Na1 C16 153.96(5) . . ?
N003 Na1 C17 154.58(4) . . ?
C15 Na1 C12 102.65(5) . . ?
C16 Na1 C12 124.10(5) . . ?
C16 Na1 C15 27.58(4) . . ?
C16 Na1 C17 28.09(4) . . ?
C17 Na1 C12 113.69(5) . . ?
C17 Na1 C15 47.64(4) . . ?
C2 N1 Na1 108.28(8) . . ?
C7 N1 Na1 118.75(9) . . ?
C7 N1 C2 108.99(12) . . ?
C8 N1 Na1 100.17(9) . . ?
C8 N1 C2 110.95(12) . . ?
C8 N1 C7 109.38(12) . . ?
C4 N2 Na1 107.19(8) . . ?
C9 N2 Na1 116.96(9) . . ?
C9 N2 C4 108.59(12) . . ?
C10 N2 Na1 104.13(9) . . ?
C10 N2 C4 110.81(12) . . ?
C10 N2 C9 109.07(12) . . ?
C6 N3 Na1 108.97(9) . . ?
C11 N3 Na1 118.65(10) . . ?
C11 N3 C6 109.36(11) . . ?
C11 N3 C12 109.14(13) . . ?
C12 N3 Na1 98.61(9) . . ?
C12 N3 C6 111.74(12) . . ?
C1 N003 Na1 109.61(8) . . ?
C1 N003 C3 109.49(11) . . ?
C1 N003 C5 110.40(11) . . ?
C3 N003 Na1 109.38(8) . . ?
C5 N003 Na1 107.68(8) . . ?
C5 N003 C3 110.26(11) . . ?
N003 C1 C2 113.00(12) . . ?
N1 C2 C1 114.26(12) . . ?
N003 C3 C4 112.75(11) . . ?
N2 C4 C3 113.85(12) . . ?
N003 C5 C6 113.21(11) . . ?
N3 C6 C5 114.14(11) . . ?
N3 C12 Na1 53.20(7) . . ?
C14 C13 C18 113.81(12) . . ?
C19 C13 C14 123.64(12) . . ?
C19 C13 C18 122.54(13) . . ?
C15 C14 C13 122.57(13) . . ?
C14 C15 Na1 88.52(8) . . ?
C14 C15 C16 122.07(14) . . ?
C16 C15 Na1 68.88(8) . . ?
C15 C16 Na1 83.54(8) . . ?
C17 C16 Na1 79.50(8) . . ?
C17 C16 C15 117.66(13) . . ?
C16 C17 Na1 72.41(8) . . ?
C18 C17 Na1 87.97(8) . . ?
C18 C17 C16 121.17(13) . . ?
C17 C18 C13 122.64(13) . . ?
C13 C19 Si1 128.06(10) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 C19 1.8150(14) . ?
Si1 C20 1.8895(17) . ?
Si1 C21 1.8737(19) . ?
Si1 C22 1.869(2) . ?
Na1 N1 2.5949(12) . ?
Na1 N2 2.5834(12) . ?
Na1 N3 2.4849(12) . ?
Na1 N003 2.5466(12) . ?
Na1 C12 3.0682(17) . ?
Na1 C15 3.0017(15) . ?
Na1 C16 2.8179(15) . ?
Na1 C17 2.9066(15) . ?
N1 C2 1.4690(19) . ?
N1 C7 1.4676(18) . ?
N1 C8 1.4634(19) . ?
N2 C4 1.4682(18) . ?
N2 C9 1.4668(19) . ?
N2 C10 1.4644(19) . ?
N3 C6 1.4689(17) . ?
N3 C11 1.4613(19) . ?
N3 C12 1.466(2) . ?
N003 C1 1.4751(17) . ?
N003 C3 1.4786(18) . ?
N003 C5 1.4766(18) . ?
C1 C2 1.521(2) . ?
C3 C4 1.517(2) . ?
C5 C6 1.518(2) . ?
C13 C14 1.429(2) . ?
C13 C18 1.4469(19) . ?
C13 C19 1.4038(19) . ?
C14 C15 1.372(2) . ?
C15 C16 1.399(2) . ?
C16 C17 1.392(2) . ?
C17 C18 1.383(2) . ?
