#------------------------------------------------------------------------------
#$Date: 2022-01-20 01:58:04 +0200 (Thu, 20 Jan 2022) $
#$Revision: 272145 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/93/7709336.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_7709336
loop_
_publ_author_name
'Grützmacher, Hansjörg'
'Le Corre, Grégoire'
_publ_section_title
;
 Simple conversion of trisodium phosphide, Na3P, into silyl- and
 cyanophosphides and structure of a terminal silver phosphide
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT04223H
_journal_year                    2022
_chemical_formula_moiety         'C36 H30 P Si2, C14 H29 Na O7'
_chemical_formula_sum            'C50 H59 Na O7 P Si2'
_chemical_formula_weight         882.11
_chemical_melting_point          600
_chemical_name_systematic
'Bis(triphenylsilyl)phosphanide sodium(18-crown-6)(1,2-dimethoxyethane)1/2 salt'
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Hygroscopic,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'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2021-12-06
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-12-06 deposited with the CCDC.	2022-01-19 downloaded from the CCDC.
;
_cell_angle_alpha                98.695(2)
_cell_angle_beta                 107.907(2)
_cell_angle_gamma                101.613(2)
_cell_formula_units_Z            2
_cell_length_a                   12.2084(3)
_cell_length_b                   12.5732(4)
_cell_length_c                   16.8295(5)
_cell_measurement_reflns_used    18287
_cell_measurement_temperature    100.01(15)
_cell_measurement_theta_max      30.7380
_cell_measurement_theta_min      1.8990
_cell_volume                     2344.09(13)
_computing_cell_refinement       'CrysAlisPro 1.171.40.16b (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.16b (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.16b (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 16.0839
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -39.00  48.00   1.00   25.00    --  -20.71  57.00-120.00   87
  2  ω    -91.00   2.00   1.00   25.00    --  -20.71 -38.00-180.00   93
  3  ω    -25.00  20.00   1.00   25.00    --  -20.71 -99.00 150.00   45
  4  ω    -84.00  -5.00   1.00   25.00    --  -20.71 138.00   4.51   79
  5  ω     -7.00  90.00   1.00   25.00    --   21.18  77.00 -90.00   97
  6  ω    -25.00  62.00   1.00   25.00    --   21.18 -99.00 -90.00   87
  7  ω    -47.00  40.00   1.00   25.00    --   21.18 -57.00 -30.00   87
  8  ω    -48.00  50.00   1.00   25.00    --   21.18 -77.00 150.00   98
  9  ω      3.00  90.00   1.00   25.00    --   21.18  57.00 120.00   87
 10  ω      3.00  90.00   1.00   25.00    --   21.18  57.00  30.00   87
 11  ω    -89.00  -2.00   1.00   25.00    --  -20.71 -57.00 -30.00   87
 12  ω    -75.00   4.00   1.00   25.00    --  -20.71 124.00 -90.00   79
 13  ω     -4.00  75.00   1.00   25.00    --   21.18-124.00-169.00   79
 14  ω     34.00  95.00   1.00   25.00    --   21.18 179.00-180.00   61
 15  ω     34.00  95.00   1.00   25.00    --   21.18 179.00-120.00   61
 16  ω      3.00  90.00   1.00   25.00    --   21.18  57.00-180.00   87
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_unetI/netI     0.0358
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.922
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            73742
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.922
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.877
_diffrn_reflns_theta_min         1.698
_exptl_absorpt_coefficient_mu    0.169
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88692
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.16b (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.250
_exptl_crystal_description       block
_exptl_crystal_F_000             938
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: 1,2-dimethoxyethane'
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.387
_refine_diff_density_min         -0.270
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     551
_refine_ls_number_reflns         13648
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0393
_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)+(0.0352P)²+1.0164P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0861
_refine_ls_wR_factor_ref         0.0938
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10883
_reflns_number_total             13648
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt04223h2.cif
_cod_data_source_block           glc3010
_cod_original_cell_volume        2344.08(12)
_cod_database_code               7709336
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.975
_shelx_estimated_absorpt_t_min   0.928
_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:
 C37(H37A,H37B), C38(H38A,H38B), C39(H39A,H39B), C40(H40A,H40B), C41(H41A,
 H41B), C42(H42A,H42B), C43(H43A,H43B), C44(H44A,H44B), C45(H45A,H45B),
 C46(H46A,H46B), C47(H47A,H47B), C48(H48A,H48B), C50(H50A,H50B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21),
  C22(H22), C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C29(H29),
 C30(H30), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36)
2.c Idealised Me refined as rotating group:
 C49(H49A,H49B,H49C)
;
_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
;
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
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.42700(3) 0.88025(3) 0.79326(2) 0.01599(7) Uani 1 1 d . . . . .
Si1 Si 0.44215(3) 0.79922(3) 0.67400(2) 0.01291(7) Uani 1 1 d . . . . .
Si2 Si 0.23981(3) 0.88496(3) 0.75907(2) 0.01362(7) Uani 1 1 d . . . . .
C1 C 0.19684(11) 1.00514(10) 0.71087(8) 0.0173(2) Uani 1 1 d . . . . .
C2 C 0.19179(13) 1.01102(12) 0.62768(9) 0.0246(3) Uani 1 1 d . . . . .
H2 H 0.208402 0.954264 0.594771 0.029 Uiso 1 1 calc R . . . .
C3 C 0.16263(14) 1.09936(13) 0.59256(11) 0.0323(3) Uani 1 1 d . . . . .
H3 H 0.159426 1.100640 0.536788 0.039 Uiso 1 1 calc R . . . .
C4 C 0.13842(13) 1.18518(12) 0.64035(11) 0.0310(3) Uani 1 1 d . . . . .
H4 H 0.120180 1.244903 0.617382 0.037 Uiso 1 1 calc R . . . .
C5 C 0.14160(13) 1.18127(12) 0.72242(10) 0.0300(3) Uani 1 1 d . . . . .
H5 H 0.124439 1.238238 0.754711 0.036 Uiso 1 1 calc R . . . .
C6 C 0.17036(12) 1.09250(11) 0.75738(9) 0.0240(3) Uani 1 1 d . . . . .
H6 H 0.172001 1.091263 0.812842 0.029 Uiso 1 1 calc R . . . .
C7 C 0.20913(11) 0.90805(10) 0.86303(8) 0.0164(2) Uani 1 1 d . . . . .
C8 C 0.29855(11) 0.96833(10) 0.94080(8) 0.0181(2) Uani 1 1 d . . . . .
H8 H 0.376096 0.994304 0.942021 0.022 Uiso 1 1 calc R . . . .
C9 C 0.27402(12) 0.99015(11) 1.01601(8) 0.0222(3) Uani 1 1 d . . . . .
H9 H 0.334789 1.030285 1.066815 0.027 Uiso 1 1 calc R . . . .
C10 C 0.15885(13) 0.95205(12) 1.01531(9) 0.0268(3) Uani 1 1 d . . . . .
H10 H 0.142102 0.967012 1.065525 0.032 Uiso 1 1 calc R . . . .
C11 C 0.06864(13) 0.89151(13) 0.93940(9) 0.0281(3) Uani 1 1 d . . . . .
H11 H -0.008559 0.865195 0.938763 0.034 Uiso 1 1 calc R . . . .
C12 C 0.09389(12) 0.87031(11) 0.86445(9) 0.0218(3) Uani 1 1 d . . . . .
H12 H 0.032699 0.830024 0.813903 0.026 Uiso 1 1 calc R . . . .
C13 C 0.12527(11) 0.75226(10) 0.68857(8) 0.0157(2) Uani 1 1 d . . . . .
C14 C 0.13886(12) 0.65044(11) 0.70825(9) 0.0227(3) Uani 1 1 d . . . . .
H14 H 0.202040 0.650235 0.756210 0.027 Uiso 1 1 calc R . . . .
C15 C 0.06024(14) 0.54945(11) 0.65788(10) 0.0304(3) Uani 1 1 d . . . . .
H15 H 0.071161 0.482814 0.672271 0.036 Uiso 1 1 calc R . . . .
C16 C -0.03426(13) 0.54833(12) 0.58632(10) 0.0291(3) Uani 1 1 d . . . . .
H16 H -0.086815 0.480952 0.552405 0.035 Uiso 1 1 calc R . . . .
C17 C -0.05027(12) 0.64759(12) 0.56542(9) 0.0242(3) Uani 1 1 d . . . . .
H17 H -0.113587 0.646977 0.517267 0.029 Uiso 1 1 calc R . . . .
C18 C 0.02831(11) 0.74876(11) 0.61637(8) 0.0196(2) Uani 1 1 d . . . . .
H18 H 0.016018 0.815092 0.602075 0.024 Uiso 1 1 calc R . . . .
C19 C 0.34759(11) 0.82106(10) 0.56844(8) 0.0146(2) Uani 1 1 d . . . . .
C20 C 0.23356(11) 0.74930(10) 0.52330(8) 0.0164(2) Uani 1 1 d . . . . .
H20 H 0.207890 0.687282 0.543276 0.020 Uiso 1 1 calc R . . . .
C21 C 0.15789(11) 0.76859(11) 0.44937(8) 0.0199(3) Uani 1 1 d . . . . .
H21 H 0.082470 0.719993 0.420760 0.024 Uiso 1 1 calc R . . . .
C22 C 0.19497(12) 0.86050(11) 0.41820(9) 0.0217(3) Uani 1 1 d . . . . .
H22 H 0.144156 0.874144 0.369219 0.026 Uiso 1 1 calc R . . . .
C23 C 0.30846(12) 0.93186(11) 0.46072(9) 0.0215(3) Uani 1 1 d . . . . .
H23 H 0.334242 0.992860 0.439737 0.026 Uiso 1 1 calc R . . . .
C24 C 0.38349(11) 0.91195(10) 0.53472(8) 0.0176(2) Uani 1 1 d . . . . .
H24 H 0.459323 0.960117 0.562499 0.021 Uiso 1 1 calc R . . . .
C25 C 0.60313(10) 0.84949(9) 0.68010(8) 0.0142(2) Uani 1 1 d . . . . .
C26 C 0.64359(11) 0.79424(10) 0.62048(8) 0.0181(2) Uani 1 1 d . . . . .
H26 H 0.590293 0.734094 0.577548 0.022 Uiso 1 1 calc R . . . .
C27 C 0.76085(12) 0.82654(11) 0.62352(9) 0.0209(3) Uani 1 1 d . . . . .
H27 H 0.785207 0.787666 0.583426 0.025 Uiso 1 1 calc R . . . .
C28 C 0.84159(11) 0.91686(11) 0.68647(9) 0.0210(3) Uani 1 1 d . . . . .
H28 H 0.920277 0.938708 0.689038 0.025 Uiso 1 1 calc R . . . .
C29 C 0.80360(11) 0.97404(11) 0.74538(8) 0.0206(3) Uani 1 1 d . . . . .
H29 H 0.856972 1.035144 0.787340 0.025 Uiso 1 1 calc R . . . .
C30 C 0.68623(11) 0.94091(10) 0.74237(8) 0.0177(2) Uani 1 1 d . . . . .
H30 H 0.662491 0.980331 0.782592 0.021 Uiso 1 1 calc R . . . .
C31 C 0.41213(10) 0.64068(10) 0.65454(8) 0.0153(2) Uani 1 1 d . . . . .
C32 C 0.39504(11) 0.57511(10) 0.57441(8) 0.0188(2) Uani 1 1 d . . . . .
H32 H 0.398123 0.609736 0.529775 0.023 Uiso 1 1 calc R . . . .
C33 C 0.37354(12) 0.45942(11) 0.55972(9) 0.0237(3) Uani 1 1 d . . . . .
H33 H 0.362549 0.418025 0.505861 0.028 Uiso 1 1 calc R . . . .
C34 C 0.36854(13) 0.40613(11) 0.62512(10) 0.0271(3) Uani 1 1 d . . . . .
H34 H 0.353915 0.328945 0.615511 0.032 Uiso 1 1 calc R . . . .
C35 C 0.38551(13) 0.46885(12) 0.70508(10) 0.0277(3) Uani 1 1 d . . . . .
H35 H 0.382675 0.433661 0.749471 0.033 Uiso 1 1 calc R . . . .
C36 C 0.40682(12) 0.58436(11) 0.71932(9) 0.0206(3) Uani 1 1 d . . . . .
H36 H 0.417805 0.625115 0.773392 0.025 Uiso 1 1 calc R . . . .
Na1 Na 0.71022(5) 0.44253(4) 0.87250(3) 0.02189(11) Uani 1 1 d . . . . .
O1 O 0.76872(8) 0.65228(7) 0.87164(6) 0.02129(19) Uani 1 1 d . . . . .
O2 O 0.67160(9) 0.59987(8) 0.99143(6) 0.0260(2) Uani 1 1 d . . . . .
O3 O 0.71772(10) 0.40366(9) 1.02589(7) 0.0294(2) Uani 1 1 d . . . . .
O4 O 0.59459(9) 0.25363(9) 0.86711(7) 0.0318(2) Uani 1 1 d . . . . .
O5 O 0.59457(9) 0.31747(8) 0.72290(6) 0.0253(2) Uani 1 1 d . . . . .
O6 O 0.79205(9) 0.48545(8) 0.75013(6) 0.0249(2) Uani 1 1 d . . . . .
O7 O 0.89041(9) 0.38753(8) 0.91755(7) 0.0298(2) Uani 1 1 d . . . . .
C37 C 0.69977(15) 0.44846(14) 0.66778(9) 0.0345(4) Uani 1 1 d . . . . .
H37A H 0.733053 0.458534 0.623156 0.041 Uiso 1 1 calc R . . . .
H37B H 0.641186 0.491148 0.664164 0.041 Uiso 1 1 calc R . . . .
C38 C 0.64256(15) 0.32776(14) 0.65663(10) 0.0364(4) Uani 1 1 d . . . . .
H38A H 0.579608 0.299412 0.600985 0.044 Uiso 1 1 calc R . . . .
H38B H 0.701151 0.285114 0.660049 0.044 Uiso 1 1 calc R . . . .
C39 C 0.53694(14) 0.20430(11) 0.71655(11) 0.0347(4) Uani 1 1 d . . . . .
H39A H 0.592458 0.158564 0.718237 0.042 Uiso 1 1 calc R . . . .
H39B H 0.470171 0.175625 0.662868 0.042 Uiso 1 1 calc R . . . .
C40 C 0.49426(13) 0.20113(12) 0.79005(11) 0.0358(4) Uani 1 1 d . . . . .
H40A H 0.432695 0.240502 0.785228 0.043 Uiso 1 1 calc R . . . .
H40B H 0.461062 0.124564 0.790804 0.043 Uiso 1 1 calc R . . . .
C41 C 0.57501(14) 0.22775(14) 0.94179(12) 0.0368(4) Uani 1 1 d . . . . .
H41A H 0.557044 0.147757 0.936750 0.044 Uiso 1 1 calc R . . . .
H41B H 0.508247 0.253522 0.949147 0.044 Uiso 1 1 calc R . . . .
C42 C 0.68705(14) 0.28533(13) 1.01721(11) 0.0335(3) Uani 1 1 d . . . . .
H42A H 0.675921 0.269060 1.069168 0.040 Uiso 1 1 calc R . . . .
H42B H 0.752237 0.256440 1.010143 0.040 Uiso 1 1 calc R . . . .
C43 C 0.65286(18) 0.45862(15) 1.06772(12) 0.0427(4) Uani 1 1 d . . . . .
H43A H 0.665575 0.442997 1.124094 0.051 Uiso 1 1 calc R . . . .
H43B H 0.568168 0.432860 1.034594 0.051 Uiso 1 1 calc R . . . .
C44 C 0.69676(17) 0.58095(14) 1.07551(10) 0.0374(4) Uani 1 1 d . . . . .
H44A H 0.656984 0.621889 1.106136 0.045 Uiso 1 1 calc R . . . .
H44B H 0.781969 0.606103 1.107015 0.045 Uiso 1 1 calc R . . . .
C45 C 0.72128(14) 0.71335(11) 0.99328(10) 0.0277(3) Uani 1 1 d . . . . .
H45A H 0.805145 0.736472 1.028744 0.033 Uiso 1 1 calc R . . . .
H45B H 0.680452 0.760946 1.017307 0.033 Uiso 1 1 calc R . . . .
C46 C 0.70704(13) 0.72325(11) 0.90373(10) 0.0265(3) Uani 1 1 d . . . . .
H46A H 0.623162 0.700965 0.868325 0.032 Uiso 1 1 calc R . . . .
H46B H 0.740065 0.799862 0.902992 0.032 Uiso 1 1 calc R . . . .
C47 C 0.78137(13) 0.67470(12) 0.79386(9) 0.0247(3) Uani 1 1 d . . . . .
H47A H 0.822244 0.752473 0.802791 0.030 Uiso 1 1 calc R . . . .
H47B H 0.703555 0.659087 0.749636 0.030 Uiso 1 1 calc R . . . .
C48 C 0.85245(13) 0.60100(12) 0.76734(9) 0.0254(3) Uani 1 1 d . . . . .
H48A H 0.866522 0.617614 0.716324 0.030 Uiso 1 1 calc R . . . .
H48B H 0.929298 0.616422 0.812617 0.030 Uiso 1 1 calc R . . . .
C49 C 0.89289(15) 0.29573(14) 0.85810(12) 0.0435(5) Uani 1 1 d . . . . .
H49A H 0.813186 0.249424 0.828090 0.065 Uiso 1 1 calc GR . . . .
H49B H 0.941282 0.253001 0.888285 0.065 Uiso 1 1 calc GR . . . .
H49C H 0.925858 0.322726 0.817731 0.065 Uiso 1 1 calc GR . . . .
C50 C 1.00604(13) 0.45422(12) 0.96863(10) 0.0291(3) Uani 1 1 d . . . . .
H50A H 1.046379 0.485827 0.932773 0.035 Uiso 1 1 calc R . . . .
H50B H 1.052615 0.409391 0.999083 0.035 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'
Na Na 0.0362 0.0249 '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'
P P 0.1023 0.0942 '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'
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
Si1 P1 Si2 105.059(18) . . ?
C19 Si1 P1 119.27(4) . . ?
C19 Si1 C25 105.51(5) . . ?
C19 Si1 C31 103.17(5) . . ?
C25 Si1 P1 108.29(4) . . ?
C25 Si1 C31 104.43(5) . . ?
C31 Si1 P1 114.86(4) . . ?
C1 Si2 P1 117.48(4) . . ?
C7 Si2 P1 106.47(4) . . ?
C7 Si2 C1 103.04(6) . . ?
C7 Si2 C13 105.73(5) . . ?
C13 Si2 P1 115.87(4) . . ?
C13 Si2 C1 106.87(6) . . ?
C2 C1 Si2 121.53(10) . . ?
C2 C1 C6 116.64(12) . . ?
C6 C1 Si2 121.82(10) . . ?
C3 C2 C1 121.92(13) . . ?
C4 C3 C2 120.18(15) . . ?
C5 C4 C3 119.27(13) . . ?
C4 C5 C6 120.47(13) . . ?
C5 C6 C1 121.51(14) . . ?
C8 C7 Si2 121.84(10) . . ?
C12 C7 Si2 120.93(9) . . ?
C12 C7 C8 117.14(12) . . ?
C9 C8 C7 121.56(12) . . ?
C10 C9 C8 119.97(12) . . ?
C9 C10 C11 119.77(13) . . ?
C10 C11 C12 119.88(13) . . ?
C11 C12 C7 121.68(12) . . ?
C14 C13 Si2 118.47(9) . . ?
C14 C13 C18 117.26(11) . . ?
C18 C13 Si2 124.25(10) . . ?
C15 C14 C13 121.65(13) . . ?
C16 C15 C14 119.89(14) . . ?
C17 C16 C15 119.80(12) . . ?
C16 C17 C18 120.17(13) . . ?
C17 C18 C13 121.23(13) . . ?
C20 C19 Si1 120.23(9) . . ?
C20 C19 C24 117.14(11) . . ?
C24 C19 Si1 122.50(9) . . ?
C21 C20 C19 121.61(11) . . ?
C22 C21 C20 120.04(12) . . ?
C23 C22 C21 119.59(12) . . ?
C22 C23 C24 119.95(12) . . ?
C23 C24 C19 121.65(12) . . ?
C26 C25 Si1 120.07(9) . . ?
C30 C25 Si1 123.20(9) . . ?
C30 C25 C26 116.73(11) . . ?
C27 C26 C25 122.06(12) . . ?
C28 C27 C26 119.94(12) . . ?
C29 C28 C27 119.23(12) . . ?
C28 C29 C30 120.59(12) . . ?
C29 C30 C25 121.43(12) . . ?
C32 C31 Si1 121.46(9) . . ?
C36 C31 Si1 121.87(9) . . ?
C36 C31 C32 116.67(11) . . ?
C33 C32 C31 121.85(12) . . ?
C34 C33 C32 120.09(13) . . ?
C33 C34 C35 119.33(12) . . ?
C34 C35 C36 120.31(13) . . ?
C35 C36 C31 121.75(13) . . ?
O1 Na1 O2 60.56(3) . . ?
O1 Na1 O3 114.11(4) . . ?
O1 Na1 O6 65.41(3) . . ?
O3 Na1 O2 59.95(3) . . ?
O4 Na1 O1 162.57(4) . . ?
O4 Na1 O2 109.06(4) . . ?
O4 Na1 O3 65.57(4) . . ?
O4 Na1 O5 64.01(4) . . ?
O4 Na1 O6 122.18(4) . . ?
O5 Na1 O1 113.07(4) . . ?
O5 Na1 O2 138.02(4) . . ?
O5 Na1 O3 129.51(4) . . ?
O5 Na1 O6 63.57(3) . . ?
O6 Na1 O2 125.89(4) . . ?
O6 Na1 O3 157.39(4) . . ?
O7 Na1 O1 106.92(4) . . ?
O7 Na1 O2 117.58(4) . . ?
O7 Na1 O3 78.34(4) . . ?
O7 Na1 O4 90.23(4) . . ?
O7 Na1 O5 104.11(4) . . ?
O7 Na1 O6 80.36(4) . . ?
C46 O1 Na1 118.17(8) . . ?
C46 O1 C47 111.11(10) . . ?
C47 O1 Na1 114.95(8) . . ?
C44 O2 Na1 115.79(8) . . ?
C44 O2 C45 111.42(12) . . ?
C45 O2 Na1 114.85(8) . . ?
C42 O3 Na1 107.88(9) . . ?
C43 O3 Na1 116.70(9) . . ?
C43 O3 C42 113.18(12) . . ?
C40 O4 Na1 116.19(8) . . ?
C41 O4 Na1 120.25(9) . . ?
C41 O4 C40 112.95(12) . . ?
C38 O5 Na1 118.88(8) . . ?
C38 O5 C39 111.74(12) . . ?
C39 O5 Na1 118.06(9) . . ?
C37 O6 Na1 111.46(8) . . ?
C37 O6 C48 112.13(11) . . ?
C48 O6 Na1 111.16(8) . . ?
C49 O7 Na1 113.01(9) . . ?
C50 O7 Na1 128.47(8) . . ?
C50 O7 C49 112.24(11) . . ?
O6 C37 C38 107.71(13) . . ?
O5 C38 C37 108.03(12) . . ?
O5 C39 C40 107.92(12) . . ?
O4 C40 C39 107.63(12) . . ?
O4 C41 C42 107.61(12) . . ?
O3 C42 C41 111.84(12) . . ?
O3 C43 C44 107.54(13) . . ?
O2 C44 C43 107.98(14) . . ?
O2 C45 C46 108.30(11) . . ?
O1 C46 C45 107.79(11) . . ?
O1 C47 C48 107.49(11) . . ?
O6 C48 C47 111.59(11) . . ?
O7 C50 C50 108.11(15) . 2_767 ?
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
P1 Si1 2.1878(5) . ?
P1 Si2 2.1939(5) . ?
Si1 C19 1.8916(12) . ?
Si1 C25 1.9050(12) . ?
Si1 C31 1.9104(12) . ?
Si2 C1 1.9091(13) . ?
Si2 C7 1.8918(13) . ?
Si2 C13 1.8944(12) . ?
C1 C2 1.3962(19) . ?
C1 C6 1.4008(18) . ?
C2 C3 1.3922(19) . ?
C3 C4 1.382(2) . ?
C4 C5 1.378(2) . ?
C5 C6 1.394(2) . ?
C7 C8 1.4027(17) . ?
C7 C12 1.4002(18) . ?
C8 C9 1.3885(18) . ?
C9 C10 1.387(2) . ?
C10 C11 1.388(2) . ?
C11 C12 1.3884(19) . ?
C13 C14 1.3987(18) . ?
C13 C18 1.3992(17) . ?
C14 C15 1.3913(18) . ?
C15 C16 1.384(2) . ?
C16 C17 1.381(2) . ?
C17 C18 1.3952(18) . ?
C19 C20 1.4021(16) . ?
C19 C24 1.4027(17) . ?
C20 C21 1.3911(17) . ?
C21 C22 1.3908(19) . ?
C22 C23 1.3901(19) . ?
C23 C24 1.3921(18) . ?
C25 C26 1.4019(17) . ?
C25 C30 1.4004(17) . ?
C26 C27 1.3897(18) . ?
C27 C28 1.3882(19) . ?
C28 C29 1.3842(19) . ?
C29 C30 1.3922(18) . ?
C31 C32 1.4011(17) . ?
C31 C36 1.3975(17) . ?
C32 C33 1.3941(17) . ?
C33 C34 1.383(2) . ?
C34 C35 1.385(2) . ?
C35 C36 1.3923(18) . ?
Na1 O1 2.5932(10) . ?
Na1 O2 2.8109(11) . ?
Na1 O3 2.6769(12) . ?
Na1 O4 2.4795(11) . ?
Na1 O5 2.5549(11) . ?
Na1 O6 2.6296(11) . ?
Na1 O7 2.3744(11) . ?
O1 C46 1.4247(16) . ?
O1 C47 1.4265(16) . ?
O2 C44 1.4202(18) . ?
O2 C45 1.4251(17) . ?
O3 C42 1.4324(18) . ?
O3 C43 1.4198(19) . ?
O4 C40 1.4341(18) . ?
O4 C41 1.421(2) . ?
O5 C38 1.4208(19) . ?
O5 C39 1.4269(17) . ?
O6 C37 1.4283(17) . ?
O6 C48 1.4312(17) . ?
O7 C49 1.4205(18) . ?
O7 C50 1.4121(17) . ?
C37 C38 1.494(2) . ?
C39 C40 1.485(3) . ?
C41 C42 1.504(2) . ?
C43 C44 1.495(2) . ?
C45 C46 1.491(2) . ?
C47 C48 1.499(2) . ?
C50 C50 1.503(3) 2_767 ?
