#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:12:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179235 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/55/4315526.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_4315526
loop_
_publ_author_name
'Keith Izod'
'John Stewart'
'Ewan R. Clark'
'William Clegg'
'Ross W. Harrington'
_publ_section_title
;
 Germanium(II) and Tin(II) Complexes of a Sterically Demanding Phosphanide
 Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4698
_journal_page_last               4707
_journal_paper_doi               10.1021/ic1003534
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C38 H80 N4 Na2 P2 Si4'
_chemical_formula_sum            'C38 H80 N4 Na2 P2 Si4'
_chemical_formula_weight         813.34
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_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
_cell_angle_alpha                93.371(2)
_cell_angle_beta                 100.996(2)
_cell_angle_gamma                111.007(2)
_cell_formula_units_Z            2
_cell_length_a                   11.8928(12)
_cell_length_b                   13.3060(13)
_cell_length_c                   17.8681(18)
_cell_measurement_reflns_used    6192
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.40
_cell_volume                     2566.1(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      160(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_device_type  'Bruker SMART 1K CCD diffractometer'
_diffrn_measurement_method       'thin-slice ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0222
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            22965
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.66
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.223
_exptl_absorpt_correction_T_max  0.916
_exptl_absorpt_correction_T_min  0.906
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.053
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.387
_refine_diff_density_min         -0.409
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     471
_refine_ls_number_reflns         11925
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0660
_refine_ls_R_factor_gt           0.0476
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0469P)²+1.0703P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1091
_refine_ls_wR_factor_ref         0.1180
_reflns_number_gt                9215
_reflns_number_total             11925
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic1003534_si_001_2.cif
_cod_data_source_block           ki276_compound_16(tmeda)
_cod_database_code               4315526
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.69923(6) -0.00847(5) 0.32033(4) 0.04556(16) Uani 1 1 d . . .
Si2 Si 0.77069(5) 0.20234(5) 0.44703(3) 0.03516(13) Uani 1 1 d . . .
Si3 Si 0.26392(5) 0.52691(4) 0.20063(3) 0.03647(14) Uani 1 1 d . . .
Si4 Si 0.22302(5) 0.34025(5) 0.06266(3) 0.03218(13) Uani 1 1 d . . .
Na1 Na 0.36174(7) 0.11444(6) 0.20566(4) 0.03311(17) Uani 1 1 d . . .
Na2 Na 0.61603(6) 0.40645(6) 0.29678(4) 0.03349(17) Uani 1 1 d . . .
P1 P 0.62829(4) 0.18971(4) 0.28180(3) 0.02642(11) Uani 1 1 d . . .
P2 P 0.35079(4) 0.33299(4) 0.22686(3) 0.02482(10) Uani 1 1 d . . .
N1 N 0.17515(18) -0.04571(14) 0.21079(11) 0.0475(5) Uani 1 1 d . . .
N2 N 0.31470(16) -0.01094(15) 0.08297(10) 0.0429(4) Uani 1 1 d . . .
N3 N 0.68125(15) 0.54792(14) 0.41105(9) 0.0375(4) Uani 1 1 d . . .
N4 N 0.78715(17) 0.56114(14) 0.26957(11) 0.0459(5) Uani 1 1 d . . .
C1 C 0.73993(16) 0.14106(14) 0.34434(10) 0.0283(4) Uani 1 1 d . . .
H1A H 0.8200 0.1760 0.3287 0.034 Uiso 1 1 calc R . .
C2 C 0.69679(16) 0.23082(14) 0.20056(10) 0.0250(3) Uani 1 1 d . . .
C3 C 0.81153(16) 0.23240(15) 0.18964(10) 0.0300(4) Uani 1 1 d . . .
H3A H 0.8595 0.2063 0.2264 0.036 Uiso 1 1 calc R . .
C4 C 0.85609(18) 0.27127(16) 0.12633(11) 0.0346(4) Uani 1 1 d . . .
H4A H 0.9343 0.2719 0.1211 0.042 Uiso 1 1 calc R . .
C5 C 0.78982(19) 0.30892(16) 0.07107(11) 0.0358(4) Uani 1 1 d . . .
H5A H 0.8217 0.3358 0.0282 0.043 Uiso 1 1 calc R . .
C6 C 0.67535(18) 0.30679(16) 0.07934(11) 0.0338(4) Uani 1 1 d . . .
H6A H 0.6277 0.3319 0.0416 0.041 Uiso 1 1 calc R . .
C7 C 0.63029(17) 0.26834(15) 0.14215(10) 0.0295(4) Uani 1 1 d . . .
H7A H 0.5513 0.2671 0.1462 0.035 Uiso 1 1 calc R . .
C8 C 0.5453(3) -0.0851(2) 0.34087(19) 0.0908(12) Uani 1 1 d . . .
H8A H 0.4825 -0.0630 0.3104 0.136 Uiso 1 1 calc R . .
H8B H 0.5491 -0.0693 0.3958 0.136 Uiso 1 1 calc R . .
H8C H 0.5234 -0.1633 0.3272 0.136 Uiso 1 1 calc R . .
C9 C 0.8177(4) -0.0556(2) 0.37650(18) 0.0940(12) Uani 1 1 d . . .
H9A H 0.9004 -0.0094 0.3714 0.141 Uiso 1 1 calc R . .
H9B H 0.8000 -0.1311 0.3564 0.141 Uiso 1 1 calc R . .
H9C H 0.8142 -0.0508 0.4309 0.141 Uiso 1 1 calc R . .
C10 C 0.6974(2) -0.04522(19) 0.21744(13) 0.0499(6) Uani 1 1 d . . .
H10A H 0.6522 -0.0093 0.1846 0.075 Uiso 1 1 calc R . .
H10B H 0.6567 -0.1242 0.2031 0.075 Uiso 1 1 calc R . .
H10C H 0.7825 -0.0214 0.2107 0.075 Uiso 1 1 calc R . .
C11 C 0.6255(2) 0.1885(2) 0.47868(14) 0.0596(7) Uani 1 1 d . . .
H11A H 0.5718 0.1114 0.4720 0.089 Uiso 1 1 calc R . .
H11B H 0.5825 0.2277 0.4476 0.089 Uiso 1 1 calc R . .
H11C H 0.6461 0.2190 0.5331 0.089 Uiso 1 1 calc R . .
C12 C 0.8726(2) 0.34905(18) 0.45587(14) 0.0521(6) Uani 1 1 d . . .
H12A H 0.8316 0.3852 0.4203 0.078 Uiso 1 1 calc R . .
H12B H 0.9511 0.3550 0.4432 0.078 Uiso 1 1 calc R . .
H12C H 0.8884 0.3838 0.5087 0.078 Uiso 1 1 calc R . .
C13 C 0.8590(2) 0.1435(2) 0.51801(13) 0.0531(6) Uani 1 1 d . . .
H13A H 0.8067 0.0684 0.5208 0.080 Uiso 1 1 calc R . .
H13B H 0.8830 0.1868 0.5689 0.080 Uiso 1 1 calc R . .
H13C H 0.9333 0.1446 0.5014 0.080 Uiso 1 1 calc R . .
C14 C 0.23707(15) 0.38206(14) 0.16686(10) 0.0258(4) Uani 1 1 d . . .
H14A H 0.1551 0.3381 0.1772 0.031 Uiso 1 1 calc R . .
C15 C 0.27648(15) 0.27531(13) 0.30259(9) 0.0236(3) Uani 1 1 d . . .
C16 C 0.15792(16) 0.26486(15) 0.31143(10) 0.0295(4) Uani 1 1 d . . .
H16A H 0.1110 0.2949 0.2773 0.035 Uiso 1 1 calc R . .
C17 C 0.10791(18) 0.21162(17) 0.36887(11) 0.0355(4) Uani 1 1 d . . .
H17A H 0.0272 0.2055 0.3727 0.043 Uiso 1 1 calc R . .
C18 C 0.17213(19) 0.16740(17) 0.42039(11) 0.0362(4) Uani 1 1 d . . .
H18A H 0.1363 0.1300 0.4589 0.043 Uiso 1 1 calc R . .
C19 C 0.29086(18) 0.17890(16) 0.41450(11) 0.0348(4) Uani 1 1 d . . .
H19A H 0.3375 0.1501 0.4500 0.042 Uiso 1 1 calc R . .
C20 C 0.34161(17) 0.23176(15) 0.35758(10) 0.0290(4) Uani 1 1 d . . .
H20A H 0.4233 0.2391 0.3553 0.035 Uiso 1 1 calc R . .
C21 C 0.4128(2) 0.6198(2) 0.18123(16) 0.0630(7) Uani 1 1 d . . .
H21A H 0.4798 0.5968 0.2041 0.094 Uiso 1 1 calc R . .
H21B H 0.4310 0.6943 0.2039 0.094 Uiso 1 1 calc R . .
H21C H 0.4056 0.6168 0.1255 0.094 Uiso 1 1 calc R . .
C22 C 0.2662(2) 0.54821(19) 0.30550(12) 0.0482(5) Uani 1 1 d . . .
H22A H 0.1817 0.5165 0.3130 0.072 Uiso 1 1 calc R . .
H22B H 0.3011 0.6263 0.3243 0.072 Uiso 1 1 calc R . .
H22C H 0.3171 0.5131 0.3342 0.072 Uiso 1 1 calc R . .
C23 C 0.1361(2) 0.5683(2) 0.15095(14) 0.0549(6) Uani 1 1 d . . .
H23A H 0.0559 0.5100 0.1483 0.082 Uiso 1 1 calc R . .
H23B H 0.1457 0.5817 0.0987 0.082 Uiso 1 1 calc R . .
H23C H 0.1400 0.6348 0.1800 0.082 Uiso 1 1 calc R . .
C24 C 0.3762(2) 0.3782(3) 0.03686(14) 0.0592(7) Uani 1 1 d . . .
H24A H 0.4289 0.3503 0.0715 0.089 Uiso 1 1 calc R . .
H24B H 0.4157 0.4575 0.0418 0.089 Uiso 1 1 calc R . .
H24C H 0.3646 0.3467 -0.0164 0.089 Uiso 1 1 calc R . .
C25 C 0.1384(2) 0.18934(19) 0.04133(13) 0.0518(6) Uani 1 1 d . . .
H25A H 0.1849 0.1537 0.0735 0.078 Uiso 1 1 calc R . .
H25B H 0.1297 0.1653 -0.0131 0.078 Uiso 1 1 calc R . .
H25C H 0.0562 0.1701 0.0525 0.078 Uiso 1 1 calc R . .
C26 C 0.1268(2) 0.3984(2) -0.00282(12) 0.0460(5) Uani 1 1 d . . .
H26A H 0.1741 0.4758 -0.0025 0.069 Uiso 1 1 calc R . .
H26B H 0.0514 0.3897 0.0151 0.069 Uiso 1 1 calc R . .
H26C H 0.1047 0.3601 -0.0553 0.069 Uiso 1 1 calc R . .
C27 C 0.1794(3) -0.0887(3) 0.28497(16) 0.0834(10) Uani 1 1 d . . .
H27A H 0.2533 -0.1063 0.2983 0.125 Uiso 1 1 calc R . .
H27B H 0.1054 -0.1544 0.2808 0.125 Uiso 1 1 calc R . .
H27C H 0.1822 -0.0338 0.3251 0.125 Uiso 1 1 calc R . .
C28 C 0.0708(3) -0.0118(2) 0.19490(18) 0.0695(8) Uani 1 1 d . . .
H28A H 0.0803 0.0443 0.2363 0.104 Uiso 1 1 calc R . .
H28B H -0.0059 -0.0744 0.1918 0.104 Uiso 1 1 calc R . .
H28C H 0.0675 0.0176 0.1459 0.104 Uiso 1 1 calc R . .
C29 C 0.1633(2) -0.13054(17) 0.15017(14) 0.0522(6) Uani 1 1 d . . .
H29A H 0.0782 -0.1861 0.1395 0.063 Uiso 1 1 calc R . .
H29B H 0.2209 -0.1664 0.1695 0.063 Uiso 1 1 calc R . .
C30 C 0.1891(2) -0.09063(19) 0.07619(13) 0.0484(6) Uani 1 1 d . . .
H30A H 0.1750 -0.1538 0.0383 0.058 Uiso 1 1 calc R . .
H30B H 0.1293 -0.0574 0.0557 0.058 Uiso 1 1 calc R . .
C31 C 0.3254(3) 0.0270(2) 0.00824(15) 0.0651(7) Uani 1 1 d . . .
H31A H 0.4073 0.0840 0.0132 0.098 Uiso 1 1 calc R . .
H31B H 0.2615 0.0563 -0.0088 0.098 Uiso 1 1 calc R . .
H31C H 0.3146 -0.0339 -0.0297 0.098 Uiso 1 1 calc R . .
C32 C 0.4084(2) -0.0570(2) 0.10415(15) 0.0609(7) Uani 1 1 d . . .
H32A H 0.4067 -0.0800 0.1552 0.091 Uiso 1 1 calc R . .
H32B H 0.4902 -0.0022 0.1053 0.091 Uiso 1 1 calc R . .
H32C H 0.3915 -0.1200 0.0662 0.091 Uiso 1 1 calc R . .
C33 C 0.6908(3) 0.5181(2) 0.48923(13) 0.0552(6) Uani 1 1 d . . .
H33A H 0.7594 0.4932 0.5019 0.083 Uiso 1 1 calc R . .
H33B H 0.6134 0.4597 0.4919 0.083 Uiso 1 1 calc R . .
H33C H 0.7058 0.5816 0.5261 0.083 Uiso 1 1 calc R . .
C34 C 0.5830(2) 0.5902(2) 0.39668(14) 0.0585(7) Uani 1 1 d . . .
H34A H 0.5730 0.6095 0.3444 0.088 Uiso 1 1 calc R . .
H34B H 0.6045 0.6549 0.4340 0.088 Uiso 1 1 calc R . .
H34C H 0.5054 0.5346 0.4020 0.088 Uiso 1 1 calc R . .
C35 C 0.79993(19) 0.62930(18) 0.40561(12) 0.0412(5) Uani 1 1 d . . .
H35A H 0.8664 0.6028 0.4252 0.049 Uiso 1 1 calc R . .
H35B H 0.8161 0.6971 0.4392 0.049 Uiso 1 1 calc R . .
C36 C 0.8056(2) 0.65481(17) 0.32505(13) 0.0456(5) Uani 1 1 d . . .
H36A H 0.7416 0.6845 0.3065 0.055 Uiso 1 1 calc R . .
H36B H 0.8872 0.7121 0.3266 0.055 Uiso 1 1 calc R . .
C37 C 0.7644(3) 0.5895(2) 0.19136(15) 0.0745(9) Uani 1 1 d . . .
H37A H 0.7523 0.5277 0.1538 0.112 Uiso 1 1 calc R . .
H37B H 0.8356 0.6525 0.1860 0.112 Uiso 1 1 calc R . .
H37C H 0.6902 0.6072 0.1821 0.112 Uiso 1 1 calc R . .
C38 C 0.8952(3) 0.5316(2) 0.28191(19) 0.0700(8) Uani 1 1 d . . .
H38A H 0.9119 0.5140 0.3344 0.105 Uiso 1 1 calc R . .
H38B H 0.9669 0.5927 0.2749 0.105 Uiso 1 1 calc R . .
H38C H 0.8796 0.4682 0.2448 0.105 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'
Na Na 0.0362 0.0249 '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'
P P 0.1023 0.0942 '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
C1 Si1 C8 109.65(12) . . ?
C1 Si1 C9 112.32(11) . . ?
C1 Si1 C10 111.33(9) . . ?
C8 Si1 C9 108.93(17) . . ?
C8 Si1 C10 110.22(13) . . ?
C9 Si1 C10 104.26(13) . . ?
C1 Si2 C11 112.51(10) . . ?
C1 Si2 C12 107.61(10) . . ?
C1 Si2 C13 114.07(10) . . ?
C11 Si2 C12 110.37(13) . . ?
C11 Si2 C13 106.94(11) . . ?
C12 Si2 C13 105.09(11) . . ?
C14 Si3 C21 109.72(11) . . ?
C14 Si3 C22 111.60(9) . . ?
C14 Si3 C23 112.24(10) . . ?
C21 Si3 C22 110.12(12) . . ?
C21 Si3 C23 108.28(12) . . ?
C22 Si3 C23 104.74(11) . . ?
C14 Si4 C24 112.59(10) . . ?
C14 Si4 C25 107.83(10) . . ?
C14 Si4 C26 112.85(9) . . ?
C24 Si4 C25 109.71(13) . . ?
C24 Si4 C26 108.21(11) . . ?
C25 Si4 C26 105.38(11) . . ?
P1 Na2 P2 95.79(2) . . ?
P1 Na2 N3 130.95(5) . . ?
P1 Na2 N4 118.32(5) . . ?
P2 Na2 N3 112.25(5) . . ?
P2 Na2 N4 128.03(6) . . ?
N3 Na2 N4 74.94(6) . . ?
P1 Na1 P2 94.52(2) . . ?
P1 Na1 N1 134.10(6) . . ?
P1 Na1 N2 110.33(5) . . ?
P2 Na1 N1 118.05(6) . . ?
P2 Na1 N2 129.13(5) . . ?
N1 Na1 N2 74.65(6) . . ?
Na1 P1 Na2 84.71(2) . . ?
Na1 P1 C1 140.14(6) . . ?
Na1 P1 C2 100.14(6) . . ?
Na2 P1 C1 127.58(6) . . ?
Na2 P1 C2 85.57(6) . . ?
C1 P1 C2 104.58(8) . . ?
Na1 P2 Na2 84.92(2) . . ?
Na1 P2 C14 126.77(6) . . ?
Na1 P2 C15 81.06(6) . . ?
Na2 P2 C14 140.09(6) . . ?
Na2 P2 C15 104.07(6) . . ?
C14 P2 C15 104.42(8) . . ?
Na1 N1 C27 114.87(15) . . ?
Na1 N1 C28 106.75(15) . . ?
Na1 N1 C29 106.37(13) . . ?
C27 N1 C28 108.8(2) . . ?
C27 N1 C29 109.1(2) . . ?
C28 N1 C29 110.9(2) . . ?
Na1 N2 C30 105.37(12) . . ?
Na1 N2 C31 123.46(16) . . ?
Na1 N2 C32 99.08(13) . . ?
C30 N2 C31 109.05(18) . . ?
C30 N2 C32 112.4(2) . . ?
C31 N2 C32 107.21(19) . . ?
Na2 N3 C33 120.70(14) . . ?
Na2 N3 C34 101.36(13) . . ?
Na2 N3 C35 106.35(11) . . ?
C33 N3 C34 107.34(17) . . ?
C33 N3 C35 109.39(17) . . ?
C34 N3 C35 111.43(19) . . ?
Na2 N4 C36 106.15(12) . . ?
Na2 N4 C37 114.87(15) . . ?
Na2 N4 C38 106.70(14) . . ?
C36 N4 C37 108.73(19) . . ?
C36 N4 C38 111.3(2) . . ?
C37 N4 C38 109.1(2) . . ?
Si1 C1 Si2 119.87(9) . . ?
Si1 C1 P1 112.04(9) . . ?
Si1 C1 H1A 104.7 . . ?
Si2 C1 P1 109.43(9) . . ?
Si2 C1 H1A 104.7 . . ?
P1 C1 H1A 104.7 . . ?
P1 C2 C3 127.31(14) . . ?
P1 C2 C7 117.22(13) . . ?
C3 C2 C7 115.45(16) . . ?
C2 C3 H3A 119.3 . . ?
C2 C3 C4 121.42(17) . . ?
H3A C3 C4 119.3 . . ?
C3 C4 H4A 119.2 . . ?
C3 C4 C5 121.65(18) . . ?
H4A C4 C5 119.2 . . ?
C4 C5 H5A 120.8 . . ?
C4 C5 C6 118.46(17) . . ?
H5A C5 C6 120.8 . . ?
C5 C6 H6A 119.8 . . ?
C5 C6 C7 120.31(18) . . ?
H6A C6 C7 119.8 . . ?
C2 C7 C6 122.70(17) . . ?
C2 C7 H7A 118.7 . . ?
C6 C7 H7A 118.7 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si1 C10 H10A 109.5 . . ?
Si1 C10 H10B 109.5 . . ?
Si1 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si3 C14 Si4 119.07(9) . . ?
Si3 C14 P2 112.52(9) . . ?
Si3 C14 H14A 105.0 . . ?
Si4 C14 P2 109.00(9) . . ?
Si4 C14 H14A 105.0 . . ?
P2 C14 H14A 105.0 . . ?
P2 C15 C16 127.19(13) . . ?
P2 C15 C20 117.26(13) . . ?
C16 C15 C20 115.49(15) . . ?
C15 C16 H16A 119.2 . . ?
C15 C16 C17 121.52(17) . . ?
H16A C16 C17 119.2 . . ?
C16 C17 H17A 119.1 . . ?
C16 C17 C18 121.74(18) . . ?
H17A C17 C18 119.1 . . ?
C17 C18 H18A 120.9 . . ?
C17 C18 C19 118.16(17) . . ?
H18A C18 C19 120.9 . . ?
C18 C19 H19A 119.7 . . ?
C18 C19 C20 120.61(17) . . ?
H19A C19 C20 119.7 . . ?
C15 C20 C19 122.44(17) . . ?
C15 C20 H20A 118.8 . . ?
C19 C20 H20A 118.8 . . ?
Si3 C21 H21A 109.5 . . ?
Si3 C21 H21B 109.5 . . ?
Si3 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si3 C22 H22A 109.5 . . ?
Si3 C22 H22B 109.5 . . ?
Si3 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si3 C23 H23A 109.5 . . ?
Si3 C23 H23B 109.5 . . ?
Si3 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si4 C24 H24A 109.5 . . ?
Si4 C24 H24B 109.5 . . ?
Si4 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si4 C25 H25A 109.5 . . ?
Si4 C25 H25B 109.5 . . ?
Si4 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si4 C26 H26A 109.5 . . ?
Si4 C26 H26B 109.5 . . ?
Si4 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N1 C27 H27A 109.5 . . ?
N1 C27 H27B 109.5 . . ?
N1 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N1 C28 H28A 109.5 . . ?
N1 C28 H28B 109.5 . . ?
N1 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N1 C29 H29A 108.6 . . ?
N1 C29 H29B 108.6 . . ?
N1 C29 C30 114.59(19) . . ?
H29A C29 H29B 107.6 . . ?
H29A C29 C30 108.6 . . ?
H29B C29 C30 108.6 . . ?
N2 C30 C29 114.44(18) . . ?
N2 C30 H30A 108.6 . . ?
N2 C30 H30B 108.6 . . ?
C29 C30 H30A 108.6 . . ?
C29 C30 H30B 108.6 . . ?
H30A C30 H30B 107.6 . . ?
N2 C31 H31A 109.5 . . ?
N2 C31 H31B 109.5 . . ?
N2 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N2 C32 H32A 109.5 . . ?
N2 C32 H32B 109.5 . . ?
N2 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N3 C33 H33A 109.5 . . ?
N3 C33 H33B 109.5 . . ?
N3 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N3 C34 H34A 109.5 . . ?
N3 C34 H34B 109.5 . . ?
N3 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N3 C35 H35A 108.8 . . ?
N3 C35 H35B 108.8 . . ?
N3 C35 C36 113.72(17) . . ?
H35A C35 H35B 107.7 . . ?
H35A C35 C36 108.8 . . ?
H35B C35 C36 108.8 . . ?
N4 C36 C35 114.35(18) . . ?
N4 C36 H36A 108.7 . . ?
N4 C36 H36B 108.7 . . ?
C35 C36 H36A 108.7 . . ?
C35 C36 H36B 108.7 . . ?
H36A C36 H36B 107.6 . . ?
N4 C37 H37A 109.5 . . ?
N4 C37 H37B 109.5 . . ?
N4 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N4 C38 H38A 109.5 . . ?
N4 C38 H38B 109.5 . . ?
N4 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
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 C1 1.8727(19) . ?
Si1 C8 1.868(3) . ?
Si1 C9 1.885(3) . ?
Si1 C10 1.868(2) . ?
Si2 C1 1.8760(19) . ?
Si2 C11 1.868(2) . ?
Si2 C12 1.870(2) . ?
Si2 C13 1.877(2) . ?
Si3 C14 1.8785(19) . ?
Si3 C21 1.870(2) . ?
Si3 C22 1.872(2) . ?
Si3 C23 1.884(2) . ?
Si4 C14 1.8701(18) . ?
Si4 C24 1.864(2) . ?
Si4 C25 1.872(2) . ?
Si4 C26 1.873(2) . ?
Na2 P1 2.9386(9) . ?
Na2 P2 2.9341(9) . ?
Na2 N3 2.4921(18) . ?
Na2 N4 2.4712(18) . ?
Na1 P1 2.9701(9) . ?
Na1 P2 2.9627(9) . ?
Na1 N1 2.4868(18) . ?
Na1 N2 2.5169(18) . ?
P1 C1 1.8884(18) . ?
P1 C2 1.8153(17) . ?
P2 C14 1.8887(17) . ?
P2 C15 1.8148(17) . ?
N1 C27 1.473(3) . ?
N1 C28 1.452(3) . ?
N1 C29 1.467(3) . ?
N2 C30 1.466(3) . ?
N2 C31 1.467(3) . ?
N2 C32 1.456(3) . ?
N3 C33 1.469(3) . ?
N3 C34 1.457(3) . ?
N3 C35 1.464(3) . ?
N4 C36 1.470(3) . ?
N4 C37 1.469(3) . ?
N4 C38 1.456(3) . ?
C1 H1A 1.00 . ?
C2 C3 1.408(2) . ?
C2 C7 1.412(2) . ?
C3 H3A 0.950 . ?
C3 C4 1.389(3) . ?
C4 H4A 0.950 . ?
C4 C5 1.375(3) . ?
C5 H5A 0.950 . ?
C5 C6 1.388(3) . ?
C6 H6A 0.950 . ?
C6 C7 1.382(2) . ?
C7 H7A 0.950 . ?
C8 H8A 0.980 . ?
C8 H8B 0.980 . ?
C8 H8C 0.980 . ?
C9 H9A 0.980 . ?
C9 H9B 0.980 . ?
C9 H9C 0.980 . ?
C10 H10A 0.980 . ?
C10 H10B 0.980 . ?
C10 H10C 0.980 . ?
C11 H11A 0.980 . ?
C11 H11B 0.980 . ?
C11 H11C 0.980 . ?
C12 H12A 0.980 . ?
C12 H12B 0.980 . ?
C12 H12C 0.980 . ?
C13 H13A 0.980 . ?
C13 H13B 0.980 . ?
C13 H13C 0.980 . ?
C14 H14A 1.00 . ?
C15 C16 1.407(2) . ?
C15 C20 1.414(2) . ?
C16 H16A 0.950 . ?
C16 C17 1.387(3) . ?
C17 H17A 0.950 . ?
C17 C18 1.377(3) . ?
C18 H18A 0.950 . ?
C18 C19 1.390(3) . ?
C19 H19A 0.950 . ?
C19 C20 1.381(2) . ?
C20 H20A 0.950 . ?
C21 H21A 0.980 . ?
C21 H21B 0.980 . ?
C21 H21C 0.980 . ?
C22 H22A 0.980 . ?
C22 H22B 0.980 . ?
C22 H22C 0.980 . ?
C23 H23A 0.980 . ?
C23 H23B 0.980 . ?
C23 H23C 0.980 . ?
C24 H24A 0.980 . ?
C24 H24B 0.980 . ?
C24 H24C 0.980 . ?
C25 H25A 0.980 . ?
C25 H25B 0.980 . ?
C25 H25C 0.980 . ?
C26 H26A 0.980 . ?
C26 H26B 0.980 . ?
C26 H26C 0.980 . ?
C27 H27A 0.980 . ?
C27 H27B 0.980 . ?
C27 H27C 0.980 . ?
C28 H28A 0.980 . ?
C28 H28B 0.980 . ?
C28 H28C 0.980 . ?
C29 H29A 0.990 . ?
C29 H29B 0.990 . ?
C29 C30 1.498(3) . ?
C30 H30A 0.990 . ?
C30 H30B 0.990 . ?
C31 H31A 0.980 . ?
C31 H31B 0.980 . ?
C31 H31C 0.980 . ?
C32 H32A 0.980 . ?
C32 H32B 0.980 . ?
C32 H32C 0.980 . ?
C33 H33A 0.980 . ?
C33 H33B 0.980 . ?
C33 H33C 0.980 . ?
C34 H34A 0.980 . ?
C34 H34B 0.980 . ?
C34 H34C 0.980 . ?
C35 H35A 0.990 . ?
C35 H35B 0.990 . ?
C35 C36 1.507(3) . ?
C36 H36A 0.990 . ?
C36 H36B 0.990 . ?
C37 H37A 0.980 . ?
C37 H37B 0.980 . ?
C37 H37C 0.980 . ?
C38 H38A 0.980 . ?
C38 H38B 0.980 . ?
C38 H38C 0.980 . ?
