#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:32:45 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179753 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/49/7004989.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_7004989
loop_
_publ_author_name
'Izod, Keith'
'Stewart, John C.'
'Clegg, William'
'Harrington, Ross W.'
_publ_section_title
;
 Alkali metal complexes of sterically demanding amino-functionalized
 secondary phosphanide ligands.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              257
_journal_page_last               264
_journal_paper_doi               10.1039/b614373c
_journal_year                    2007
_chemical_formula_moiety         'C56 H112 N4 Na4 O2 P4 Si8'
_chemical_formula_sum            'C56 H112 N4 Na4 O2 P4 Si8'
_chemical_formula_weight         1314.06
_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                109.582(2)
_cell_angle_beta                 97.502(2)
_cell_angle_gamma                110.175(2)
_cell_formula_units_Z            1
_cell_length_a                   11.1503(15)
_cell_length_b                   13.5201(18)
_cell_length_c                   15.406(2)
_cell_measurement_reflns_used    5598
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.14
_cell_volume                     1972.8(5)
_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    SIR97
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_av_sigmaI/netI    0.0362
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14338
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.76
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.276
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_correction_T_min  0.890
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.106
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             708
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.381
_refine_diff_density_min         -0.273
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.257
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         6865
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.257
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_gt           0.0535
_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)+(0.0315P)²+1.7210P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1089
_refine_ls_wR_factor_ref         0.1121
_reflns_number_gt                5944
_reflns_number_total             6865
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b614373c.txt
_cod_data_source_block           ki254_compound_11
_cod_original_cell_volume        1972.7(5)
_cod_database_code               7004989
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
Na1 Na 0.11773(10) 0.13534(9) 0.05939(8) 0.0266(3) Uani 1 1 d . . .
Na2 Na 0.08817(11) 0.14773(10) 0.27846(8) 0.0323(3) Uani 1 1 d . . .
P1 P 0.16985(7) 0.34202(6) 0.23339(5) 0.02295(17) Uani 1 1 d . . .
P2 P -0.15090(7) -0.03472(6) 0.12698(5) 0.01937(16) Uani 1 1 d . . .
Si1 Si 0.25244(8) 0.58426(7) 0.39471(6) 0.0284(2) Uani 1 1 d . . .
Si2 Si 0.10385(8) 0.51210(7) 0.17469(6) 0.02617(19) Uani 1 1 d . . .
Si3 Si -0.27498(8) 0.00376(7) 0.30042(6) 0.02776(19) Uani 1 1 d . . .
Si4 Si -0.33732(8) -0.24870(6) 0.14102(6) 0.02559(19) Uani 1 1 d . . .
O1 O 0.1992(2) 0.15074(17) 0.42026(14) 0.0338(5) Uani 1 1 d . . .
N1 N 0.2926(2) 0.20340(19) 0.20985(17) 0.0284(5) Uani 1 1 d . . .
N2 N -0.1213(2) 0.07149(19) 0.00823(16) 0.0229(5) Uani 1 1 d . . .
C1 C 0.2232(3) 0.4997(2) 0.26416(18) 0.0196(5) Uani 1 1 d . . .
H1 H 0.3113 0.5271 0.2507 0.024 Uiso 1 1 calc R . .
C2 C 0.3593(4) 0.5464(3) 0.4701(2) 0.0544(10) Uani 1 1 d . . .
H2A H 0.4468 0.5663 0.4578 0.082 Uiso 1 1 calc R . .
H2B H 0.3173 0.4634 0.4541 0.082 Uiso 1 1 calc R . .
H2C H 0.3700 0.5897 0.5381 0.082 Uiso 1 1 calc R . .
C3 C 0.0914(4) 0.5555(3) 0.4249(3) 0.0614(11) Uani 1 1 d . . .
H3A H 0.0431 0.5910 0.3970 0.092 Uiso 1 1 calc R . .
H3B H 0.1080 0.5884 0.4947 0.092 Uiso 1 1 calc R . .
H3C H 0.0381 0.4720 0.3988 0.092 Uiso 1 1 calc R . .
C4 C 0.3440(4) 0.7431(3) 0.4302(2) 0.0466(9) Uani 1 1 d . . .
H4A H 0.2840 0.7724 0.4059 0.070 Uiso 1 1 calc R . .
H4B H 0.4198 0.7572 0.4030 0.070 Uiso 1 1 calc R . .
H4C H 0.3762 0.7829 0.5003 0.070 Uiso 1 1 calc R . .
C5 C -0.0727(3) 0.4308(3) 0.1683(3) 0.0460(9) Uani 1 1 d . . .
H5A H -0.0890 0.3509 0.1566 0.069 Uiso 1 1 calc R . .
H5B H -0.1318 0.4317 0.1158 0.069 Uiso 1 1 calc R . .
H5C H -0.0902 0.4672 0.2290 0.069 Uiso 1 1 calc R . .
C6 C 0.1334(3) 0.6667(3) 0.2057(2) 0.0404(8) Uani 1 1 d . . .
H6A H 0.1060 0.6957 0.2635 0.061 Uiso 1 1 calc R . .
H6B H 0.0814 0.6720 0.1524 0.061 Uiso 1 1 calc R . .
H6C H 0.2282 0.7131 0.2174 0.061 Uiso 1 1 calc R . .
C7 C 0.1345(4) 0.4552(3) 0.0550(2) 0.0446(8) Uani 1 1 d . . .
H7A H 0.1231 0.3752 0.0380 0.067 Uiso 1 1 calc R . .
H7B H 0.2253 0.5027 0.0580 0.067 Uiso 1 1 calc R . .
H7C H 0.0710 0.4578 0.0064 0.067 Uiso 1 1 calc R . .
C8 C 0.3182(3) 0.3185(2) 0.23720(18) 0.0217(6) Uani 1 1 d . . .
C9 C 0.4501(3) 0.3997(2) 0.2600(2) 0.0268(6) Uani 1 1 d . . .
H9 H 0.4692 0.4795 0.2816 0.032 Uiso 1 1 calc R . .
C10 C 0.5507(3) 0.3646(3) 0.2513(2) 0.0357(7) Uani 1 1 d . . .
H10 H 0.6392 0.4196 0.2656 0.043 Uiso 1 1 calc R . .
C11 C 0.5231(3) 0.2478(3) 0.2214(2) 0.0420(8) Uani 1 1 d . . .
H11 H 0.5913 0.2212 0.2143 0.050 Uiso 1 1 calc R . .
C12 C 0.3937(3) 0.1727(3) 0.2027(2) 0.0363(7) Uani 1 1 d . . .
H12 H 0.3748 0.0931 0.1833 0.044 Uiso 1 1 calc R . .
C13 C -0.2961(3) -0.0914(2) 0.17393(19) 0.0207(6) Uani 1 1 d . . .
H13 H -0.3731 -0.0895 0.1342 0.025 Uiso 1 1 calc R . .
C14 C -0.2019(3) 0.1610(2) 0.3241(2) 0.0361(7) Uani 1 1 d . . .
H14A H -0.1581 0.1718 0.2747 0.054 Uiso 1 1 calc R . .
H14B H -0.1367 0.2053 0.3873 0.054 Uiso 1 1 calc R . .
H14C H -0.2729 0.1880 0.3225 0.054 Uiso 1 1 calc R . .
C15 C -0.4417(3) -0.0296(3) 0.3248(3) 0.0546(11) Uani 1 1 d . . .
H15A H -0.4833 -0.1111 0.3139 0.082 Uiso 1 1 calc R . .
H15B H -0.4985 -0.0141 0.2817 0.082 Uiso 1 1 calc R . .
H15C H -0.4304 0.0190 0.3915 0.082 Uiso 1 1 calc R . .
C16 C -0.1629(4) -0.0170(3) 0.3874(2) 0.0445(9) Uani 1 1 d . . .
H16A H -0.2012 -0.0975 0.3796 0.067 Uiso 1 1 calc R . .
H16B H -0.1534 0.0339 0.4530 0.067 Uiso 1 1 calc R . .
H16C H -0.0754 0.0018 0.3753 0.067 Uiso 1 1 calc R . .
C17 C -0.4649(3) -0.3138(3) 0.1976(3) 0.0426(8) Uani 1 1 d . . .
H17A H -0.5450 -0.3023 0.1794 0.064 Uiso 1 1 calc R . .
H17B H -0.4286 -0.2764 0.2676 0.064 Uiso 1 1 calc R . .
H17C H -0.4877 -0.3967 0.1755 0.064 Uiso 1 1 calc R . .
C18 C -0.1874(3) -0.2726(3) 0.1800(3) 0.0416(8) Uani 1 1 d . . .
H18A H -0.1179 -0.2389 0.1524 0.062 Uiso 1 1 calc R . .
H18B H -0.2114 -0.3556 0.1579 0.062 Uiso 1 1 calc R . .
H18C H -0.1542 -0.2356 0.2501 0.062 Uiso 1 1 calc R . .
C19 C -0.4116(3) -0.3289(3) 0.0082(2) 0.0419(8) Uani 1 1 d . . .
H19A H -0.3498 -0.2953 -0.0244 0.063 Uiso 1 1 calc R . .
H19B H -0.4957 -0.3232 -0.0101 0.063 Uiso 1 1 calc R . .
H19C H -0.4281 -0.4102 -0.0105 0.063 Uiso 1 1 calc R . .
C20 C -0.2017(2) 0.0417(2) 0.06396(18) 0.0197(6) Uani 1 1 d . . .
C21 C -0.3116(3) 0.0699(2) 0.0649(2) 0.0253(6) Uani 1 1 d . . .
H21 H -0.3676 0.0499 0.1033 0.030 Uiso 1 1 calc R . .
C22 C -0.3389(3) 0.1263(2) 0.0107(2) 0.0304(7) Uani 1 1 d . . .
H22 H -0.4134 0.1452 0.0120 0.037 Uiso 1 1 calc R . .
C23 C -0.2575(3) 0.1554(2) -0.0457(2) 0.0312(7) Uani 1 1 d . . .
H23 H -0.2749 0.1936 -0.0843 0.037 Uiso 1 1 calc R . .
C24 C -0.1503(3) 0.1266(2) -0.0434(2) 0.0285(6) Uani 1 1 d . . .
H24 H -0.0932 0.1473 -0.0810 0.034 Uiso 1 1 calc R . .
C25 C 0.2095(4) -0.0230(3) 0.3222(3) 0.0579(10) Uani 1 1 d . . .
H25A H 0.2667 -0.0645 0.3111 0.087 Uiso 1 1 calc R . .
H25B H 0.1792 -0.0138 0.2640 0.087 Uiso 1 1 calc R . .
H25C H 0.1324 -0.0670 0.3385 0.087 Uiso 1 1 calc R . .
C26 C 0.2864(3) 0.0933(3) 0.4031(3) 0.0417(8) Uani 1 1 d . . .
H26A H 0.3207 0.0848 0.4616 0.050 Uiso 1 1 calc R . .
H26B H 0.3630 0.1392 0.3864 0.050 Uiso 1 1 calc R . .
C27 C 0.2595(3) 0.2563(3) 0.5038(2) 0.0446(9) Uani 1 1 d . . .
H27E H 0.3298 0.3146 0.4918 0.054 Uiso 1 1 calc R . .
H27F H 0.3010 0.2440 0.5578 0.054 Uiso 1 1 calc R . .
C28 C 0.1562(4) 0.2980(3) 0.5286(3) 0.0642(11) Uani 1 1 d . . .
H28F H 0.1968 0.3697 0.5870 0.096 Uiso 1 1 calc R . .
H28G H 0.0863 0.2394 0.5394 0.096 Uiso 1 1 calc R . .
H28H H 0.1175 0.3125 0.4757 0.096 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'
O O 0.0106 0.0060 '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
Na1 Na1 Na2 94.37(5) 2 . ?
Na1 Na1 P1 137.50(5) 2 . ?
Na1 Na1 P2 70.32(4) 2 2 ?
Na1 Na1 N1 124.86(8) 2 . ?
Na1 Na1 N2 51.64(6) 2 . ?
Na1 Na1 N2 45.77(5) 2 2 ?
Na1 Na1 C8 149.66(8) 2 . ?
Na1 Na1 C20 63.31(6) 2 2 ?
Na2 Na1 P1 52.19(3) . . ?
Na2 Na1 P2 154.86(5) . 2 ?
Na2 Na1 N1 50.13(6) . . ?
Na2 Na1 N2 87.97(6) . . ?
Na2 Na1 N2 97.40(6) . 2 ?
Na2 Na1 C8 58.21(6) . . ?
Na2 Na1 C20 119.98(6) . 2 ?
P1 Na1 P2 150.01(4) . 2 ?
P1 Na1 N1 57.11(6) . . ?
P1 Na1 N2 96.59(6) . . ?
P1 Na1 N2 145.84(7) . 2 ?
P1 Na1 C8 35.20(5) . . ?
P1 Na1 C20 151.82(6) . 2 ?
P2 Na1 N1 122.46(7) 2 . ?
P2 Na1 N2 96.94(6) 2 . ?
P2 Na1 N2 57.56(5) 2 2 ?
P2 Na1 C8 129.16(7) 2 . ?
P2 Na1 C20 35.53(5) 2 2 ?
N1 Na1 N2 137.91(9) . . ?
N1 Na1 N2 92.56(8) . 2 ?
N1 Na1 C8 27.82(7) . . ?
N1 Na1 C20 96.28(8) . 2 ?
N2 Na1 N2 97.41(8) . 2 ?
N2 Na1 C8 130.99(8) . . ?
N2 Na1 C8 119.48(8) 2 . ?
N2 Na1 C20 110.73(8) . 2 ?
N2 Na1 C20 26.94(7) 2 2 ?
C8 Na1 C20 116.64(8) . 2 ?
Na1 Na2 P1 56.14(3) . . ?
Na1 Na2 P2 69.14(3) . . ?
Na1 Na2 O1 142.23(7) . . ?
Na1 Na2 N1 46.74(6) . . ?
Na1 Na2 C8 53.72(5) . . ?
P1 Na2 P2 108.17(4) . . ?
P1 Na2 O1 121.72(7) . . ?
P1 Na2 N1 57.90(5) . . ?
P1 Na2 C8 34.68(5) . . ?
P2 Na2 O1 130.05(7) . . ?
P2 Na2 N1 111.31(7) . . ?
P2 Na2 C8 122.55(6) . . ?
O1 Na2 N1 97.72(8) . . ?
O1 Na2 C8 101.49(8) . . ?
N1 Na2 C8 26.17(7) . . ?
Na1 P1 Na2 71.67(4) . . ?
Na1 P1 C1 135.74(9) . . ?
Na1 P1 C8 71.80(9) . . ?
Na2 P1 C1 152.58(9) . . ?
Na2 P1 C8 81.42(9) . . ?
C1 P1 C8 105.92(12) . . ?
Na1 P2 Na2 116.88(4) 2 . ?
Na1 P2 C13 128.18(9) 2 . ?
Na1 P2 C20 77.06(9) 2 . ?
Na2 P2 C13 113.36(9) . . ?
Na2 P2 C20 102.97(8) . . ?
C13 P2 C20 103.61(12) . . ?
C1 Si1 C2 111.28(15) . . ?
C1 Si1 C3 110.10(15) . . ?
C1 Si1 C4 111.74(14) . . ?
C2 Si1 C3 109.0(2) . . ?
C2 Si1 C4 105.44(17) . . ?
C3 Si1 C4 109.20(18) . . ?
C1 Si2 C5 111.92(14) . . ?
C1 Si2 C6 111.21(13) . . ?
C1 Si2 C7 107.79(14) . . ?
C5 Si2 C6 107.91(16) . . ?
C5 Si2 C7 110.31(17) . . ?
C6 Si2 C7 107.62(16) . . ?
C13 Si3 C14 112.42(13) . . ?
C13 Si3 C15 109.45(14) . . ?
C13 Si3 C16 111.13(14) . . ?
C14 Si3 C15 106.67(15) . . ?
C14 Si3 C16 107.42(15) . . ?
C15 Si3 C16 109.62(18) . . ?
C13 Si4 C17 112.12(13) . . ?
C13 Si4 C18 111.85(14) . . ?
C13 Si4 C19 108.65(14) . . ?
C17 Si4 C18 107.02(16) . . ?
C17 Si4 C19 106.66(16) . . ?
C18 Si4 C19 110.42(16) . . ?
Na2 O1 C26 111.76(18) . . ?
Na2 O1 C27 119.03(18) . . ?
C26 O1 C27 112.2(2) . . ?
Na1 N1 Na2 83.13(8) . . ?
Na1 N1 C8 94.95(16) . . ?
Na1 N1 C12 117.41(19) . . ?
Na2 N1 C8 96.97(16) . . ?
Na2 N1 C12 135.1(2) . . ?
C8 N1 C12 118.4(3) . . ?
Na1 N2 Na1 82.59(8) . 2 ?
Na1 N2 C20 122.12(17) . . ?
Na1 N2 C20 91.96(15) 2 . ?
Na1 N2 C24 109.65(17) . . ?
Na1 N2 C24 126.59(18) 2 . ?
C20 N2 C24 118.9(2) . . ?
P1 C1 Si1 112.11(13) . . ?
P1 C1 Si2 106.61(13) . . ?
P1 C1 H1 106.2 . . ?
Si1 C1 Si2 118.73(14) . . ?
Si1 C1 H1 106.2 . . ?
Si2 C1 H1 106.2 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si2 C5 H5A 109.5 . . ?
Si2 C5 H5B 109.5 . . ?
Si2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Na1 C8 Na2 68.06(6) . . ?
Na1 C8 P1 73.00(9) . . ?
Na1 C8 N1 57.23(14) . . ?
Na1 C8 C9 135.10(18) . . ?
Na2 C8 P1 63.90(8) . . ?
Na2 C8 N1 56.86(14) . . ?
Na2 C8 C9 153.32(19) . . ?
P1 C8 N1 112.26(19) . . ?
P1 C8 C9 128.5(2) . . ?
N1 C8 C9 119.2(2) . . ?
C8 C9 H9 119.7 . . ?
C8 C9 C10 120.5(3) . . ?
H9 C9 C10 119.7 . . ?
C9 C10 H10 120.1 . . ?
C9 C10 C11 119.8(3) . . ?
H10 C10 C11 120.1 . . ?
C10 C11 H11 121.3 . . ?
C10 C11 C12 117.4(3) . . ?
H11 C11 C12 121.3 . . ?
N1 C12 C11 124.7(3) . . ?
N1 C12 H12 117.7 . . ?
C11 C12 H12 117.7 . . ?
P2 C13 Si3 113.40(13) . . ?
P2 C13 Si4 106.71(13) . . ?
P2 C13 H13 105.5 . . ?
Si3 C13 Si4 119.21(14) . . ?
Si3 C13 H13 105.5 . . ?
Si4 C13 H13 105.5 . . ?
Si3 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
Si3 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si3 C16 H16A 109.5 . . ?
Si3 C16 H16B 109.5 . . ?
Si3 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si4 C17 H17A 109.5 . . ?
Si4 C17 H17B 109.5 . . ?
Si4 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si4 C18 H18A 109.5 . . ?
Si4 C18 H18B 109.5 . . ?
Si4 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si4 C19 H19A 109.5 . . ?
Si4 C19 H19B 109.5 . . ?
Si4 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Na1 C20 P2 67.42(8) 2 . ?
Na1 C20 N2 61.11(13) 2 . ?
Na1 C20 C21 140.33(18) 2 . ?
P2 C20 N2 113.29(19) . . ?
P2 C20 C21 127.7(2) . . ?
N2 C20 C21 119.0(2) . . ?
C20 C21 H21 119.7 . . ?
C20 C21 C22 120.7(3) . . ?
H21 C21 C22 119.7 . . ?
C21 C22 H22 120.1 . . ?
C21 C22 C23 119.8(3) . . ?
H22 C22 C23 120.1 . . ?
C22 C23 H23 121.4 . . ?
C22 C23 C24 117.2(3) . . ?
H23 C23 C24 121.4 . . ?
N2 C24 C23 124.4(3) . . ?
N2 C24 H24 117.8 . . ?
C23 C24 H24 117.8 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25A C25 C26 109.5 . . ?
H25B C25 H25C 109.5 . . ?
H25B C25 C26 109.5 . . ?
H25C C25 C26 109.5 . . ?
O1 C26 C25 108.4(3) . . ?
O1 C26 H26A 110.0 . . ?
O1 C26 H26B 110.0 . . ?
C25 C26 H26A 110.0 . . ?
C25 C26 H26B 110.0 . . ?
H26A C26 H26B 108.4 . . ?
O1 C27 H27E 109.9 . . ?
O1 C27 H27F 109.9 . . ?
O1 C27 C28 109.1(3) . . ?
H27E C27 H27F 108.3 . . ?
H27E C27 C28 109.9 . . ?
H27F C27 C28 109.9 . . ?
C27 C28 H28F 109.5 . . ?
C27 C28 H28G 109.5 . . ?
C27 C28 H28H 109.5 . . ?
H28F C28 H28G 109.5 . . ?
H28F C28 H28H 109.5 . . ?
H28G C28 H28H 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
Na1 Na1 3.356(2) 2 ?
Na1 Na2 3.3878(16) . ?
Na1 P1 2.9638(13) . ?
Na1 P2 2.8701(13) 2 ?
Na1 N1 2.485(3) . ?
Na1 N2 2.425(2) . ?
Na1 N2 2.654(2) 2 ?
Na1 C8 2.944(3) . ?
Na1 C20 3.029(3) 2 ?
Na2 P1 2.8195(13) . ?
Na2 P2 2.9356(13) . ?
Na2 O1 2.346(2) . ?
Na2 N1 2.619(3) . ?
Na2 C8 3.104(3) . ?
P1 C1 1.870(2) . ?
P1 C8 1.786(3) . ?
P2 Na1 2.8701(13) 2 ?
P2 C13 1.885(3) . ?
P2 C20 1.806(3) . ?
Si1 C1 1.868(3) . ?
Si1 C2 1.868(4) . ?
Si1 C3 1.857(4) . ?
Si1 C4 1.874(3) . ?
Si2 C1 1.878(3) . ?
Si2 C5 1.865(3) . ?
Si2 C6 1.876(3) . ?
Si2 C7 1.872(3) . ?
Si3 C13 1.870(3) . ?
Si3 C14 1.878(3) . ?
Si3 C15 1.875(3) . ?
Si3 C16 1.869(3) . ?
Si4 C13 1.880(3) . ?
Si4 C17 1.880(3) . ?
Si4 C18 1.871(3) . ?
Si4 C19 1.871(3) . ?
O1 C26 1.438(4) . ?
O1 C27 1.423(4) . ?
N1 C8 1.379(3) . ?
N1 C12 1.335(4) . ?
N2 Na1 2.654(2) 2 ?
N2 C20 1.373(3) . ?
N2 C24 1.338(4) . ?
C1 H1 1.000 . ?
C2 H2A 0.980 . ?
C2 H2B 0.980 . ?
C2 H2C 0.980 . ?
C3 H3A 0.980 . ?
C3 H3B 0.980 . ?
C3 H3C 0.980 . ?
C4 H4A 0.980 . ?
C4 H4B 0.980 . ?
C4 H4C 0.980 . ?
C5 H5A 0.980 . ?
C5 H5B 0.980 . ?
C5 H5C 0.980 . ?
C6 H6A 0.980 . ?
C6 H6B 0.980 . ?
C6 H6C 0.980 . ?
C7 H7A 0.980 . ?
C7 H7B 0.980 . ?
C7 H7C 0.980 . ?
C8 C9 1.409(4) . ?
C9 H9 0.950 . ?
C9 C10 1.367(4) . ?
C10 H10 0.950 . ?
C10 C11 1.392(5) . ?
C11 H11 0.950 . ?
C11 C12 1.372(5) . ?
C12 H12 0.950 . ?
C13 H13 1.000 . ?
C14 H14A 0.980 . ?
C14 H14B 0.980 . ?
C14 H14C 0.980 . ?
C15 H15A 0.980 . ?
C15 H15B 0.980 . ?
C15 H15C 0.980 . ?
C16 H16A 0.980 . ?
C16 H16B 0.980 . ?
C16 H16C 0.980 . ?
C17 H17A 0.980 . ?
C17 H17B 0.980 . ?
C17 H17C 0.980 . ?
C18 H18A 0.980 . ?
C18 H18B 0.980 . ?
C18 H18C 0.980 . ?
C19 H19A 0.980 . ?
C19 H19B 0.980 . ?
C19 H19C 0.980 . ?
C20 Na1 3.029(3) 2 ?
C20 C21 1.404(4) . ?
C21 H21 0.950 . ?
C21 C22 1.375(4) . ?
C22 H22 0.950 . ?
C22 C23 1.387(4) . ?
C23 H23 0.950 . ?
C23 C24 1.378(4) . ?
C24 H24 0.950 . ?
C25 H25A 0.980 . ?
C25 H25B 0.980 . ?
C25 H25C 0.980 . ?
C25 C26 1.496(5) . ?
C26 H26A 0.990 . ?
C26 H26B 0.990 . ?
C27 H27E 0.990 . ?
C27 H27F 0.990 . ?
C27 C28 1.486(5) . ?
C28 H28F 0.980 . ?
C28 H28G 0.980 . ?
C28 H28H 0.980 . ?
