#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:28:12 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180140 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/37/7103729.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_7103729
loop_
_publ_author_name
'Dominic S. Wright'
'M. McPartlin'
'Christopher M. Pask'
'Thomas Vogler'
'Anthony Woods'
_publ_section_title
;
Stabilisation of an ortho-deprotonated mesityl
group within the unusual
[{2,4,6-Me3C6H2P}{4,6-Me2C6H2(2-CH2)P}Sn]3-stannate ion
;
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_paper_doi               10.1039/b303390m
_journal_year                    2003
_chemical_formula_sum            'C136 H212 N12 Na12 P8 Sn4'
_chemical_formula_weight         3013.58
_chemical_name_systematic
; 
? 
;
_chemical_temperature_decomposition 353.15
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.06(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   30.072(6)
_cell_length_b                   18.257(4)
_cell_length_c                   31.229(6)
_cell_measurement_reflns_used    53599
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      1.00
_cell_volume                     16931(6)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius B.V. 1998)'
_computing_data_reduction
;
HKL Denzo and Scalepack (Otwinowski & Minor 1997)
;
_computing_publication_material  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_solution    'SIR-92 (Altomare et al. 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0561
_diffrn_reflns_av_sigmaI/netI    0.0591
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            49036
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.52
_exptl_absorpt_coefficient_mu    0.733
_exptl_absorpt_correction_T_max  0.894
_exptl_absorpt_correction_T_min  0.834
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements 
Sortav (Blessing 1995)
;
_exptl_crystal_density_diffrn    1.182
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6256
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.877
_refine_diff_density_min         -0.568
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     711
_refine_ls_number_reflns         14739
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0988
_refine_ls_R_factor_gt           0.0621
_refine_ls_shift/su_max          0.223
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0806P)²+58.6872P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1552
_refine_ls_wR_factor_ref         0.1718
_reflns_number_gt                10200
_reflns_number_total             14739
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b303390m.txt
_cod_data_source_block           mw0304
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been given
as 'decomp 80oC'. The value 'decomp 80oC' was changed to '353.15' -
it was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7103729
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
'-x, -y, -z'
'-x, y, -z-1/2'
'-x+1/2, -y+1/2, -z'
'-x+1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn -0.042659(14) 0.17933(2) 0.120169(12) 0.04779(13) Uani 1 1 d . B .
Sn2 Sn -0.056228(14) 0.39584(2) 0.189304(13) 0.05512(14) Uani 1 1 d . B .
P1 P 0.01954(6) 0.12955(9) 0.17858(4) 0.0514(4) Uani 1 1 d . . .
P2 P -0.08975(7) 0.28921(9) 0.22673(5) 0.0623(5) Uani 1 1 d . . .
P3 P -0.10024(6) 0.08655(9) 0.14150(5) 0.0544(4) Uani 1 1 d . B .
P4 P -0.13180(5) 0.40394(8) 0.13556(5) 0.0523(4) Uani 1 1 d . B .
N1 N -0.0691(2) -0.1187(4) 0.06381(19) 0.0812(17) Uani 1 1 d . . .
N2 N -0.0406(2) -0.1333(3) 0.16032(18) 0.0774(17) Uani 1 1 d . . .
C1S C -0.0831(4) -0.1736(6) 0.0917(3) 0.121(4) Uani 1 1 d . . .
H1S1 H -0.1134 -0.1607 0.0959 0.146 Uiso 1 1 calc R . .
H1S2 H -0.0855 -0.2191 0.0755 0.146 Uiso 1 1 calc R . .
C2S C -0.0598(4) -0.1895(5) 0.1320(3) 0.128(4) Uani 1 1 d . . .
H2S1 H -0.0356 -0.2225 0.1278 0.154 Uiso 1 1 calc R . .
H2S2 H -0.0800 -0.2170 0.1473 0.154 Uiso 1 1 calc R . .
C3S C -0.0400(5) -0.1490(7) 0.0359(4) 0.168(6) Uani 1 1 d . . .
H3S1 H -0.0557 -0.1869 0.0183 0.252 Uiso 1 1 calc R . .
H3S2 H -0.0137 -0.1692 0.0533 0.252 Uiso 1 1 calc R . .
H3S3 H -0.0313 -0.1112 0.0176 0.252 Uiso 1 1 calc R . .
C4S C 0.0029(4) -0.1574(6) 0.1842(4) 0.137(4) Uani 1 1 d . . .
H4S1 H -0.0016 -0.1990 0.2018 0.206 Uiso 1 1 calc R . .
H4S2 H 0.0162 -0.1183 0.2023 0.206 Uiso 1 1 calc R . .
H4S3 H 0.0225 -0.1708 0.1640 0.206 Uiso 1 1 calc R . .
C5S C -0.1080(4) -0.0858(7) 0.0374(4) 0.147(4) Uani 1 1 d . . .
H5S1 H -0.0990 -0.0423 0.0238 0.220 Uiso 1 1 calc R . .
H5S2 H -0.1300 -0.0732 0.0554 0.220 Uiso 1 1 calc R . .
H5S3 H -0.1209 -0.1200 0.0156 0.220 Uiso 1 1 calc R . .
C6S C -0.0689(4) -0.1153(5) 0.1913(3) 0.119(3) Uani 1 1 d . . .
H6S1 H -0.0989 -0.1058 0.1766 0.179 Uiso 1 1 calc R . .
H6S2 H -0.0575 -0.0725 0.2072 0.179 Uiso 1 1 calc R . .
H6S3 H -0.0696 -0.1555 0.2110 0.179 Uiso 1 1 calc R . .
N3 N -0.2530(3) 0.3852(6) 0.2000(3) 0.112(3) Uani 1 1 d . . .
N4 N -0.2211(2) 0.5400(5) 0.2025(2) 0.097(2) Uani 1 1 d . . .
C1T C -0.2784(5) 0.4466(14) 0.1844(9) 0.269(12) Uani 1 1 d . B .
H1T1 H -0.2804 0.4458 0.1531 0.323 Uiso 1 1 calc R A 2
H1T2 H -0.3087 0.4379 0.1904 0.323 Uiso 1 1 calc R A 2
C2T C -0.2677(4) 0.5175(8) 0.1972(4) 0.129(4) Uani 1 1 d . B .
H2T1 H -0.2782 0.5255 0.2247 0.155 Uiso 1 1 calc R . .
H2T2 H -0.2847 0.5501 0.1762 0.155 Uiso 1 1 calc R . .
C3T C -0.2723(6) 0.3715(12) 0.2388(6) 0.125(5) Uiso 0.620(13) 1 d P B 1
H3T1 H -0.2604 0.4061 0.2608 0.188 Uiso 0.620(13) 1 calc PR B 1
H3T2 H -0.2649 0.3227 0.2489 0.188 Uiso 0.620(13) 1 calc PR B 1
H3T3 H -0.3044 0.3767 0.2324 0.188 Uiso 0.620(13) 1 calc PR B 1
C5T C -0.2545(7) 0.3160(12) 0.1735(7) 0.137(6) Uiso 0.620(13) 1 d P B 1
H5T1 H -0.2465 0.3269 0.1456 0.205 Uiso 0.620(13) 1 calc PR B 1
H5T2 H -0.2843 0.2959 0.1698 0.205 Uiso 0.620(13) 1 calc PR B 1
H5T3 H -0.2336 0.2811 0.1882 0.205 Uiso 0.620(13) 1 calc PR B 1
C3T' C -0.2595(10) 0.3161(18) 0.2294(10) 0.125(5) Uiso 0.380(13) 1 d P B 2
H3T4 H -0.2338 0.2844 0.2307 0.188 Uiso 0.380(13) 1 calc PR B 2
H3T5 H -0.2862 0.2900 0.2171 0.188 Uiso 0.380(13) 1 calc PR B 2
H3T6 H -0.2623 0.3322 0.2581 0.188 Uiso 0.380(13) 1 calc PR B 2
C5T' C -0.2677(11) 0.359(2) 0.1547(11) 0.137(6) Uiso 0.380(13) 1 d P B 2
H5T4 H -0.2486 0.3801 0.1360 0.205 Uiso 0.380(13) 1 calc PR B 2
H5T5 H -0.2983 0.3740 0.1451 0.205 Uiso 0.380(13) 1 calc PR B 2
H5T6 H -0.2657 0.3068 0.1539 0.205 Uiso 0.380(13) 1 calc PR B 2
C4T C -0.2112(4) 0.5729(7) 0.1630(4) 0.154(5) Uani 1 1 d . B .
H4T1 H -0.2099 0.5355 0.1416 0.232 Uiso 1 1 calc R . .
H4T2 H -0.1827 0.5977 0.1687 0.232 Uiso 1 1 calc R . .
H4T3 H -0.2344 0.6075 0.1523 0.232 Uiso 1 1 calc R . .
C6T C -0.2113(4) 0.5905(7) 0.2388(4) 0.153(5) Uani 1 1 d . B .
H6T1 H -0.2315 0.6314 0.2343 0.229 Uiso 1 1 calc R . .
H6T2 H -0.1808 0.6075 0.2409 0.229 Uiso 1 1 calc R . .
H6T3 H -0.2150 0.5657 0.2651 0.229 Uiso 1 1 calc R . .
N5 N 0.0223(2) 0.3932(4) 0.08347(18) 0.088(2) Uani 1 1 d . . .
N6 N -0.05360(19) 0.3525(3) 0.01280(16) 0.0631(14) Uani 1 1 d . . .
C1U' C 0.0196(7) 0.4114(15) 0.0387(6) 0.077(3) Uiso 0.394(16) 1 d P C 4
H1U3 H 0.0161 0.4642 0.0368 0.092 Uiso 0.394(16) 1 calc PR C 4
H1U4 H 0.0489 0.4006 0.0311 0.092 Uiso 0.394(16) 1 calc PR C 4
C2U' C -0.0104(4) 0.3836(6) 0.0074(3) 0.113(3) Uiso 0.394(16) 1 d P C 4
H2U3 H 0.0052 0.3456 -0.0060 0.136 Uiso 0.394(16) 1 calc PR C 4
H2U3' H -0.0170 0.4221 -0.0140 0.136 Uiso 0.394(16) 1 calc PR C 4
C1U C 0.0261(4) 0.3653(10) 0.0364(4) 0.077(3) Uiso 0.606(16) 1 d P C 3
H1U1 H 0.0527 0.3864 0.0273 0.092 Uiso 0.606(16) 1 calc PR C 3
H1U2 H 0.0295 0.3125 0.0369 0.092 Uiso 0.606(16) 1 calc PR C 3
C2U C -0.0104(4) 0.3836(6) 0.0074(3) 0.113(3) Uiso 0.606(16) 1 d P C 3
H2U1 H -0.0045 0.3700 -0.0212 0.136 Uiso 0.606(16) 1 calc PR C 3
H2U2 H -0.0134 0.4365 0.0077 0.136 Uiso 0.606(16) 1 calc PR C 3
C3U C 0.0283(3) 0.4706(6) 0.0963(4) 0.128(4) Uani 1 1 d . C .
H3U1 H 0.0556 0.4890 0.0880 0.192 Uiso 1 1 calc R . .
H3U2 H 0.0299 0.4747 0.1272 0.192 Uiso 1 1 calc R . .
H3U3 H 0.0032 0.4987 0.0822 0.192 Uiso 1 1 calc R . .
C4U C -0.0886(3) 0.4014(5) -0.0110(3) 0.103(3) Uani 1 1 d . C .
H4U1 H -0.0819 0.4106 -0.0396 0.155 Uiso 1 1 calc R . .
H4U2 H -0.0890 0.4470 0.0043 0.155 Uiso 1 1 calc R . .
H4U3 H -0.1176 0.3783 -0.0131 0.155 Uiso 1 1 calc R . .
C5U C 0.0578(3) 0.3511(6) 0.1091(3) 0.100(3) Uani 1 1 d . C .
H5U1 H 0.0512 0.2998 0.1057 0.150 Uiso 1 1 calc R . .
H5U2 H 0.0597 0.3643 0.1391 0.150 Uiso 1 1 calc R . .
H5U3 H 0.0860 0.3613 0.0996 0.150 Uiso 1 1 calc R . .
C6U C -0.0589(4) 0.2790(4) -0.0032(2) 0.118(4) Uani 1 1 d . C .
H6U1 H -0.0885 0.2617 -0.0005 0.178 Uiso 1 1 calc R . .
H6U2 H -0.0368 0.2481 0.0134 0.178 Uiso 1 1 calc R . .
H6U3 H -0.0551 0.2780 -0.0331 0.178 Uiso 1 1 calc R . .
C11 C 0.04032(19) 0.0611(3) 0.14414(17) 0.0503(14) Uani 1 1 d . . .
C12 C 0.0700(2) 0.0052(3) 0.16197(19) 0.0549(15) Uani 1 1 d . . .
C13 C 0.0820(2) -0.0512(4) 0.1360(2) 0.0719(19) Uani 1 1 d . . .
H13 H 0.1010 -0.0879 0.1488 0.086 Uiso 1 1 calc R . .
C14 C 0.0667(3) -0.0546(4) 0.0921(2) 0.0724(19) Uani 1 1 d . . .
C15 C 0.0390(2) 0.0022(4) 0.0738(2) 0.0645(17) Uani 1 1 d . . .
H15 H 0.0287 0.0013 0.0441 0.077 Uiso 1 1 calc R . .
C16 C 0.0260(2) 0.0605(3) 0.09819(18) 0.0525(14) Uani 1 1 d . . .
C17 C 0.0884(2) 0.0050(4) 0.2097(2) 0.0728(19) Uani 1 1 d . . .
H17A H 0.1087 -0.0354 0.2162 0.109 Uiso 1 1 calc R . .
H17B H 0.0640 0.0001 0.2260 0.109 Uiso 1 1 calc R . .
H17C H 0.1040 0.0501 0.2174 0.109 Uiso 1 1 calc R . .
C18 C 0.0817(3) -0.1166(5) 0.0647(3) 0.108(3) Uani 1 1 d . . .
H18A H 0.0564 -0.1332 0.0443 0.162 Uiso 1 1 calc R . .
H18B H 0.0932 -0.1564 0.0832 0.162 Uiso 1 1 calc R . .
H18C H 0.1048 -0.0990 0.0493 0.162 Uiso 1 1 calc R . .
C1 C -0.0017(2) 0.1221(4) 0.07618(17) 0.0578(16) Uani 1 1 d . . .
H1A H -0.0217 0.1029 0.0513 0.069 Uiso 1 1 calc R . .
H1B H 0.0182 0.1573 0.0656 0.069 Uiso 1 1 calc R . .
C21 C -0.1135(2) 0.3474(4) 0.26588(19) 0.0577(15) Uani 1 1 d . . .
C22 C -0.1457(2) 0.3182(4) 0.2905(2) 0.0687(18) Uani 1 1 d . . .
C23 C -0.1659(3) 0.3639(5) 0.3178(2) 0.077(2) Uani 1 1 d . . .
H23 H -0.1866 0.3439 0.3337 0.092 Uiso 1 1 calc R . .
C24 C -0.1562(2) 0.4366(5) 0.3220(2) 0.074(2) Uani 1 1 d . . .
C25 C -0.1247(2) 0.4647(4) 0.2987(2) 0.0658(18) Uani 1 1 d . . .
H25 H -0.1177 0.5142 0.3017 0.079 Uiso 1 1 calc R . .
C26 C -0.1030(2) 0.4230(3) 0.27120(18) 0.0526(14) Uani 1 1 d . . .
C27 C -0.1579(3) 0.2369(4) 0.2875(3) 0.093(3) Uani 1 1 d . . .
H27A H -0.1313 0.2081 0.2963 0.140 Uiso 1 1 calc R . .
H27B H -0.1704 0.2250 0.2581 0.140 Uiso 1 1 calc R . .
H27C H -0.1796 0.2266 0.3062 0.140 Uiso 1 1 calc R . .
C28 C -0.1783(3) 0.4857(5) 0.3527(3) 0.104(3) Uani 1 1 d . . .
H28A H -0.1600 0.5283 0.3600 0.156 Uiso 1 1 calc R . .
H28B H -0.1812 0.4590 0.3786 0.156 Uiso 1 1 calc R . .
H28C H -0.2077 0.5004 0.3385 0.156 Uiso 1 1 calc R . .
C2 C -0.0684(2) 0.4571(3) 0.24796(18) 0.0583(16) Uani 1 1 d . . .
H2A H -0.0403 0.4607 0.2678 0.070 Uiso 1 1 calc R . .
H2B H -0.0780 0.5064 0.2394 0.070 Uiso 1 1 calc R . .
C31 C -0.1570(2) 0.1163(3) 0.11756(19) 0.0564(15) Uani 1 1 d . B .
C32 C -0.1707(2) 0.1390(3) 0.07382(18) 0.0561(15) Uani 1 1 d . . .
C33 C -0.2128(2) 0.1666(4) 0.0596(2) 0.0724(19) Uani 1 1 d . D .
H33 H -0.2196 0.1834 0.0312 0.087 Uiso 1 1 calc R . .
C34 C -0.2457(3) 0.1705(5) 0.0861(3) 0.089(2) Uani 1 1 d . . .
C35 C -0.2338(3) 0.1453(5) 0.1280(3) 0.089(3) Uani 1 1 d . D .
H35 H -0.2553 0.1466 0.1464 0.106 Uiso 1 1 calc R . .
C36 C -0.1914(2) 0.1181(4) 0.1441(2) 0.0683(19) Uani 1 1 d . . .
C37 C -0.1386(2) 0.1312(4) 0.0413(2) 0.075(2) Uani 1 1 d . . .
H37A H -0.1552 0.1338 0.0125 0.113 Uiso 1 1 calc R . .
H37B H -0.1235 0.0849 0.0454 0.113 Uiso 1 1 calc R . .
H37C H -0.1168 0.1700 0.0455 0.113 Uiso 1 1 calc R . .
C38' C -0.2903(6) 0.2179(15) 0.0663(6) 0.088(3) Uiso 0.52(3) 1 d P D 6
H38D H -0.2916 0.2229 0.0355 0.132 Uiso 0.52(3) 1 calc PR D 6
H38E H -0.2886 0.2655 0.0794 0.132 Uiso 0.52(3) 1 calc PR D 6
H38F H -0.3167 0.1930 0.0722 0.132 Uiso 0.52(3) 1 calc PR D 6
C38 C -0.2925(6) 0.1816(17) 0.0726(7) 0.088(3) Uiso 0.48(3) 1 d P D 5
H38A H -0.3023 0.1538 0.0467 0.132 Uiso 0.48(3) 1 calc PR D 5
H38B H -0.2982 0.2327 0.0668 0.132 Uiso 0.48(3) 1 calc PR D 5
H38C H -0.3087 0.1659 0.0951 0.132 Uiso 0.48(3) 1 calc PR D 5
C39 C -0.1827(3) 0.0898(5) 0.1901(2) 0.094(3) Uani 1 1 d . D .
H39A H -0.1629 0.1228 0.2078 0.141 Uiso 1 1 calc R . .
H39B H -0.1689 0.0423 0.1905 0.141 Uiso 1 1 calc R . .
H39C H -0.2106 0.0862 0.2012 0.141 Uiso 1 1 calc R . .
C41 C -0.1364(2) 0.4728(3) 0.09165(19) 0.0551(15) Uani 1 1 d . . .
C42 C -0.1139(2) 0.5397(4) 0.0942(2) 0.0668(17) Uani 1 1 d . . .
C43 C -0.1202(3) 0.5884(4) 0.0588(3) 0.087(2) Uani 1 1 d . . .
H43 H -0.1040 0.6320 0.0611 0.104 Uiso 1 1 calc R . .
C44 C -0.1484(3) 0.5750(5) 0.0219(3) 0.089(2) Uani 1 1 d . . .
C45 C -0.1719(3) 0.5099(5) 0.0195(2) 0.090(3) Uani 1 1 d . . .
H45 H -0.1918 0.4995 -0.0056 0.108 Uiso 1 1 calc R . .
C46 C -0.1671(2) 0.4587(4) 0.0535(2) 0.0682(18) Uani 1 1 d . . .
C47 C -0.0828(3) 0.5639(4) 0.1349(3) 0.100(3) Uani 1 1 d . . .
H47A H -0.0751 0.6146 0.1323 0.150 Uiso 1 1 calc R . .
H47B H -0.0558 0.5348 0.1385 0.150 Uiso 1 1 calc R . .
H47C H -0.0977 0.5576 0.1596 0.150 Uiso 1 1 calc R . .
C48 C -0.1556(4) 0.6301(6) -0.0160(3) 0.133(4) Uani 1 1 d . . .
H48A H -0.1872 0.6371 -0.0255 0.199 Uiso 1 1 calc R . .
H48B H -0.1420 0.6114 -0.0396 0.199 Uiso 1 1 calc R . .
H48C H -0.1419 0.6760 -0.0066 0.199 Uiso 1 1 calc R . .
C49 C -0.1946(3) 0.3893(5) 0.0484(3) 0.094(3) Uani 1 1 d . . .
H49A H -0.1748 0.3477 0.0518 0.141 Uiso 1 1 calc R . .
H49B H -0.2125 0.3882 0.0200 0.141 Uiso 1 1 calc R . .
H49C H -0.2140 0.3879 0.0700 0.141 Uiso 1 1 calc R . .
Na1 Na -0.04131(9) -0.02116(14) 0.11776(8) 0.0687(7) Uani 1 1 d . . .
Na2 Na -0.17465(8) 0.42636(16) 0.20830(8) 0.0723(7) Uani 1 1 d . B .
Na3 Na -0.13740(8) 0.25119(13) 0.14319(7) 0.0588(6) Uani 1 1 d . . .
Na4 Na -0.05613(8) 0.35236(13) 0.09183(7) 0.0553(6) Uani 1 1 d . B .
Na5 Na -0.06018(8) 0.13308(12) 0.22768(6) 0.0538(6) Uani 1 1 d . . .
Na6 Na 0.02526(9) 0.28298(13) 0.19641(7) 0.0611(6) Uani 1 1 d . . .
C1X C 0.1126(3) -0.2802(6) 0.2114(3) 0.093(5) Uiso 0.50 1 d PG . .
H1X H 0.1313 -0.2583 0.2343 0.111 Uiso 0.50 1 calc PR . .
C2X C 0.1213(3) -0.2717(6) 0.1692(4) 0.114(6) Uiso 0.50 1 d PG . .
H2X H 0.1459 -0.2441 0.1640 0.137 Uiso 0.50 1 calc PR . .
C3X C 0.0933(4) -0.3044(7) 0.1349(3) 0.106(6) Uiso 0.50 1 d PG . .
H3X H 0.0992 -0.2987 0.1067 0.127 Uiso 0.50 1 calc PR . .
C4X C 0.0566(3) -0.3457(6) 0.1427(3) 0.083(4) Uiso 0.50 1 d PG . .
H4X H 0.0378 -0.3676 0.1197 0.100 Uiso 0.50 1 calc PR . .
C5X C 0.0478(3) -0.3542(5) 0.1848(3) 0.076(4) Uiso 0.50 1 d PG . .
H5X H 0.0233 -0.3818 0.1900 0.092 Uiso 0.50 1 calc PR . .
C6X C 0.0759(3) -0.3215(6) 0.2191(2) 0.075(4) Uiso 0.50 1 d PG . .
C7X C 0.0728(8) -0.3223(13) 0.2583(7) 0.138(8) Uiso 0.50 1 d P . .
H7X1 H 0.0464 -0.3493 0.2625 0.207 Uiso 0.50 1 calc PR . .
H7X2 H 0.0705 -0.2730 0.2684 0.207 Uiso 0.50 1 calc PR . .
H7X3 H 0.0990 -0.3452 0.2742 0.207 Uiso 0.50 1 calc PR . .
C1Y C -0.2043(4) -0.1193(7) 0.1371(3) 0.111(6) Uiso 0.50 1 d PG . .
H1Y H -0.2071 -0.0780 0.1538 0.133 Uiso 0.50 1 calc PR . .
C2Y C -0.1912(5) -0.1857(9) 0.1570(3) 0.151(9) Uiso 0.50 1 d PG . .
H2Y H -0.1852 -0.1887 0.1871 0.181 Uiso 0.50 1 calc PR . .
C3Y C -0.1870(5) -0.2475(6) 0.1320(5) 0.146(8) Uiso 0.50 1 d PG . .
H3Y H -0.1782 -0.2919 0.1453 0.175 Uiso 0.50 1 calc PR . .
C4Y C -0.1959(5) -0.2430(6) 0.0870(5) 0.159(9) Uiso 0.50 1 d PG . .
H4Y H -0.1931 -0.2843 0.0703 0.191 Uiso 0.50 1 calc PR . .
C5Y C -0.2090(4) -0.1766(7) 0.0671(3) 0.095(5) Uiso 0.50 1 d PG . .
H5Y H -0.2150 -0.1736 0.0370 0.114 Uiso 0.50 1 calc PR . .
C6Y C -0.2132(4) -0.1148(5) 0.0921(4) 0.067(3) Uiso 0.50 1 d PG . .
C7Y C -0.2245(5) -0.0475(8) 0.0756(4) 0.069(4) Uiso 0.50 1 d P . .
H7Y1 H -0.2261 -0.0486 0.0447 0.104 Uiso 0.50 1 calc PR . .
H7Y2 H -0.2021 -0.0126 0.0877 0.104 Uiso 0.50 1 calc PR . .
H7Y3 H -0.2532 -0.0335 0.0827 0.104 Uiso 0.50 1 calc PR . .
C1Z C -0.3499(3) 0.5790(6) 0.0845(3) 0.106(3) Uiso 0.50 1 d P E 1
H1Z H -0.3747 0.5686 0.0978 0.127 Uiso 0.50 1 calc PR E 1
C2Z C -0.3248(7) 0.5174(14) 0.0692(7) 0.117(6) Uiso 0.50 1 d P E 1
H2Z H -0.3363 0.4707 0.0719 0.140 Uiso 0.50 1 calc PR E 1
C3Z C -0.2932(6) 0.5218(10) 0.0545(5) 0.182(6) Uiso 0.50 1 d P E 1
H3Z H -0.2795 0.4812 0.0440 0.219 Uiso 0.50 1 calc PR E 1
C4Z C -0.2731(8) 0.6036(12) 0.0530(7) 0.116(6) Uiso 0.50 1 d P E 1
H4Z H -0.2456 0.6122 0.0438 0.139 Uiso 0.50 1 calc PR E 1
C5Z C -0.2945(5) 0.6515(9) 0.0637(4) 0.148(4) Uiso 0.50 1 d P E 1
H5Z H -0.2829 0.6984 0.0618 0.178 Uiso 0.50 1 calc PR E 1
C6Z C -0.3390(5) 0.6461(9) 0.0804(5) 0.077(4) Uiso 0.50 1 d P E 1
C7Z C -0.3556(6) 0.7067(10) 0.0941(5) 0.183(6) Uiso 0.50 1 d P E 1
H7Z1 H -0.3636 0.6987 0.1223 0.274 Uiso 0.50 1 calc PR E 1
H7Z2 H -0.3819 0.7209 0.0743 0.274 Uiso 0.50 1 calc PR E 1
H7Z3 H -0.3335 0.7449 0.0957 0.274 Uiso 0.50 1 calc PR E 1
C1Z' C -0.3499(3) 0.5790(6) 0.0845(3) 0.106(3) Uiso 0.50 1 d P F 2
H1Z' H -0.3658 0.5361 0.0872 0.127 Uiso 0.50 1 calc PR F 2
C2Z' C -0.3687(8) 0.6497(13) 0.0992(7) 0.116(6) Uiso 0.50 1 d P F 2
H2Z' H -0.3933 0.6462 0.1139 0.139 Uiso 0.50 1 calc PR F 2
C3Z' C -0.3556(6) 0.7067(10) 0.0941(5) 0.183(6) Uiso 0.50 1 d P F 2
H3Z' H -0.3706 0.7498 0.0987 0.219 Uiso 0.50 1 calc PR F 2
C4Z' C -0.3049(6) 0.7031(12) 0.0768(6) 0.104(6) Uiso 0.50 1 d P F 2
H4Z' H -0.2863 0.7441 0.0784 0.125 Uiso 0.50 1 calc PR F 2
C5Z' C -0.2945(5) 0.6515(9) 0.0637(4) 0.148(4) Uiso 0.50 1 d P F 2
H5Z' H -0.2710 0.6537 0.0476 0.178 Uiso 0.50 1 calc PR F 2
C6Z' C -0.3152(6) 0.5748(11) 0.0694(6) 0.090(5) Uiso 0.50 1 d P F 2
C7Z' C -0.2932(6) 0.5218(10) 0.0545(5) 0.182(6) Uiso 0.50 1 d P F 2
H7Z4 H -0.3059 0.4757 0.0611 0.273 Uiso 0.50 1 calc PR F 2
H7Z5 H -0.2622 0.5237 0.0678 0.273 Uiso 0.50 1 calc PR F 2
H7Z6 H -0.2952 0.5267 0.0237 0.273 Uiso 0.50 1 calc PR F 2
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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 Sn1 P1 82.01(15) . . ?
C1 Sn1 P3 107.91(18) . . ?
P1 Sn1 P3 91.58(6) . . ?
C1 Sn1 Na4 109.82(17) . . ?
P1 Sn1 Na4 125.24(6) . . ?
P3 Sn1 Na4 129.80(6) . . ?
C1 Sn1 Na3 152.95(16) . . ?
P1 Sn1 Na3 122.76(6) . . ?
P3 Sn1 Na3 64.53(6) . . ?
Na4 Sn1 Na3 66.72(6) . . ?
C1 Sn1 Na6 110.84(18) . . ?
P1 Sn1 Na6 54.34(6) . . ?
P3 Sn1 Na6 122.00(6) . . ?
Na4 Sn1 Na6 72.13(6) . . ?
Na3 Sn1 Na6 93.95(6) . . ?
C1 Sn1 Na5 129.83(16) . . ?
P1 Sn1 Na5 56.49(5) . . ?
P3 Sn1 Na5 53.13(5) . . ?
Na4 Sn1 Na5 116.67(5) . . ?
Na3 Sn1 Na5 68.40(6) . . ?
Na6 Sn1 Na5 68.93(6) . . ?
C1 Sn1 Na1 60.83(17) . . ?
P1 Sn1 Na1 69.59(6) . . ?
P3 Sn1 Na1 50.20(6) . . ?
Na4 Sn1 Na1 162.96(6) . . ?
Na3 Sn1 Na1 114.37(6) . . ?
Na6 Sn1 Na1 123.75(6) . . ?
Na5 Sn1 Na1 77.72(5) . . ?
C2 Sn2 P2 83.00(17) . . ?
C2 Sn2 P4 105.15(17) . . ?
P2 Sn2 P4 88.34(6) . . ?
C2 Sn2 Na4 161.56(17) . . ?
P2 Sn2 Na4 108.09(6) . . ?
P4 Sn2 Na4 61.65(6) . . ?
C2 Sn2 Na6 119.52(17) . . ?
P2 Sn2 Na6 80.21(6) . . ?
P4 Sn2 Na6 131.68(6) . . ?
Na4 Sn2 Na6 77.65(6) . . ?
C2 Sn2 Na3 119.40(18) . . ?
P2 Sn2 Na3 49.93(5) . . ?
P4 Sn2 Na3 48.73(5) . . ?
Na4 Sn2 Na3 63.12(6) . . ?
Na6 Sn2 Na3 91.06(6) . . ?
C2 Sn2 Na2 60.68(17) . . ?
P2 Sn2 Na2 65.65(6) . . ?
P4 Sn2 Na2 48.64(5) . . ?
Na4 Sn2 Na2 109.68(7) . . ?
Na6 Sn2 Na2 145.76(7) . . ?
Na3 Sn2 Na2 65.50(6) . . ?
C11 P1 Sn1 95.91(19) . . ?
C11 P1 Na6 140.6(2) . . ?
Sn1 P1 Na6 78.81(6) . . ?
C11 P1 Na5 117.8(2) . 6_556 ?
Sn1 P1 Na5 145.95(7) . 6_556 ?
Na6 P1 Na5 77.59(7) . 6_556 ?
C11 P1 Na5 133.0(2) . . ?
Sn1 P1 Na5 78.86(6) . . ?
Na6 P1 Na5 84.78(8) . . ?
Na5 P1 Na5 74.88(8) 6_556 . ?
C21 P2 Sn2 94.9(2) . . ?
C21 P2 Na6 75.4(2) . 6_556 ?
Sn2 P2 Na6 98.68(8) . 6_556 ?
C21 P2 Na3 123.6(2) . . ?
Sn2 P2 Na3 86.83(7) . . ?
Na6 P2 Na3 159.93(10) 6_556 . ?
C21 P2 Na5 133.5(2) . . ?
Sn2 P2 Na5 126.38(8) . . ?
Na6 P2 Na5 77.92(7) 6_556 . ?
Na3 P2 Na5 83.27(8) . . ?
C31 P3 Sn1 108.62(19) . . ?
C31 P3 Na1 133.0(2) . . ?
Sn1 P3 Na1 85.13(8) . . ?
C31 P3 Na5 121.0(2) . . ?
Sn1 P3 Na5 81.36(6) . . ?
Na1 P3 Na5 105.18(9) . . ?
C31 P3 Na3 54.94(18) . . ?
Sn1 P3 Na3 68.87(6) . . ?
Na1 P3 Na3 153.01(9) . . ?
Na5 P3 Na3 78.76(7) . . ?
C41 P4 Sn2 118.1(2) . . ?
C41 P4 Na3 137.7(2) . . ?
Sn2 P4 Na3 86.95(7) . . ?
C41 P4 Na2 120.7(2) . . ?
Sn2 P4 Na2 87.25(7) . . ?
Na3 P4 Na2 92.00(9) . . ?
C41 P4 Na4 81.26(19) . . ?
Sn2 P4 Na4 68.08(6) . . ?
Na3 P4 Na4 77.62(8) . . ?
Na2 P4 Na4 153.47(9) . . ?
C1S N1 C3S 111.3(9) . . ?
C1S N1 C5S 110.2(9) . . ?
C3S N1 C5S 109.2(9) . . ?
C1S N1 Na1 100.8(5) . . ?
C3S N1 Na1 120.8(7) . . ?
C5S N1 Na1 104.0(6) . . ?
C2S N2 C6S 111.2(9) . . ?
C2S N2 C4S 110.1(8) . . ?
C6S N2 C4S 107.7(8) . . ?
C2S N2 Na1 107.5(5) . . ?
C6S N2 Na1 102.8(5) . . ?
C4S N2 Na1 117.4(6) . . ?
C2S C1S N1 123.3(9) . . ?
C2S C1S Na1 79.8(5) . . ?
N1 C1S Na1 52.3(4) . . ?
C1S C2S N2 121.2(8) . . ?
C1T N3 C3T 99.2(14) . . ?
C1T N3 C5T' 82.0(18) . . ?
C3T N3 C5T' 129.8(16) . . ?
C1T N3 C5T 120.9(15) . . ?
C3T N3 C5T 109.4(13) . . ?
C5T' N3 C5T 40.0(14) . . ?
C1T N3 C3T' 136.5(16) . . ?
C3T N3 C3T' 43.7(12) . . ?
C5T' N3 C3T' 104.4(19) . . ?
C5T N3 C3T' 69.8(14) . . ?
C1T N3 Na2 104.8(9) . . ?
C3T N3 Na2 118.1(9) . . ?
C5T' N3 Na2 109.6(13) . . ?
C5T N3 Na2 105.1(9) . . ?
C3T' N3 Na2 112.7(12) . . ?
C2T N4 C4T 110.4(9) . . ?
C2T N4 C6T 110.0(8) . . ?
C4T N4 C6T 111.0(10) . . ?
C2T N4 Na2 107.1(7) . . ?
C4T N4 Na2 102.8(5) . . ?
C6T N4 Na2 115.3(6) . . ?
C2T C1T N3 124.0(16) . . ?
C2T C1T C5T' 151.8(19) . . ?
N3 C1T C5T' 51.1(14) . . ?
C1T C2T N4 118.6(11) . . ?
N3 C5T' C1T 46.9(12) . . ?
C1U' N5 C5U 126.1(11) . . ?
C1U' N5 C3U 91.6(12) . . ?
C5U N5 C3U 108.1(7) . . ?
C1U' N5 C1U 33.2(9) . . ?
C5U N5 C1U 100.9(8) . . ?
C3U N5 C1U 122.7(9) . . ?
C1U' N5 Na4 105.1(8) . . ?
C5U N5 Na4 113.9(5) . . ?
C3U N5 Na4 109.3(6) . . ?
C1U N5 Na4 102.0(6) . . ?
C6U N6 C2U' 112.3(7) . . ?
C6U N6 C4U 110.9(7) . . ?
C2U' N6 C4U 106.5(7) . . ?
C6U N6 Na4 109.0(4) . . ?
C2U' N6 Na4 106.5(5) . . ?
C4U N6 Na4 111.6(4) . . ?
C2U' C1U' N5 124.2(17) . . ?
C1U' C2U' N6 125.7(12) . . ?
C12 C11 C16 117.5(5) . . ?
C12 C11 P1 121.2(4) . . ?
C16 C11 P1 121.3(4) . . ?
C13 C12 C11 120.7(6) . . ?
C13 C12 C17 119.1(6) . . ?
C11 C12 C17 120.2(5) . . ?
C14 C13 C12 122.5(6) . . ?
C13 C14 C15 117.2(6) . . ?
C13 C14 C18 120.7(7) . . ?
C15 C14 C18 122.1(7) . . ?
C14 C15 C16 122.9(6) . . ?
C15 C16 C11 119.0(6) . . ?
C15 C16 C1 120.2(5) . . ?
C11 C16 C1 120.7(5) . . ?
C16 C1 Sn1 112.8(4) . . ?
C26 C21 C22 117.3(6) . . ?
C26 C21 P2 122.3(5) . . ?
C22 C21 P2 120.4(5) . . ?
C26 C21 Na6 99.7(4) . 6_556 ?
C22 C21 Na6 106.1(4) . 6_556 ?
P2 C21 Na6 67.7(2) . 6_556 ?
C23 C22 C21 120.1(7) . . ?
C23 C22 C27 119.5(7) . . ?
C21 C22 C27 120.5(6) . . ?
C24 C23 C22 122.2(7) . . ?
C23 C24 C25 117.8(6) . . ?
C23 C24 C28 121.4(7) . . ?
C25 C24 C28 120.7(8) . . ?
C24 C25 C26 123.5(7) . . ?
C25 C26 C21 119.1(6) . . ?
C25 C26 C2 120.3(6) . . ?
C21 C26 C2 120.5(5) . . ?
C26 C2 Sn2 114.1(4) . . ?
C32 C31 C36 115.1(6) . . ?
C32 C31 P3 125.9(5) . . ?
C36 C31 P3 119.0(5) . . ?
C33 C32 C31 122.0(6) . . ?
C33 C32 C37 118.2(6) . . ?
C31 C32 C37 119.9(6) . . ?
C32 C33 C34 122.4(7) . . ?
C35 C34 C33 116.4(7) . . ?
C35 C34 C38 115.2(12) . . ?
C33 C34 C38 126.7(11) . . ?
C35 C34 C38' 127.7(10) . . ?
C33 C34 C38' 115.0(10) . . ?
C38 C34 C38' 25.2(10) . . ?
C34 C35 C36 123.3(7) . . ?
C35 C36 C31 120.6(7) . . ?
C35 C36 C39 118.7(6) . . ?
C31 C36 C39 120.7(7) . . ?
C42 C41 C46 117.1(6) . . ?
C42 C41 P4 125.1(5) . . ?
C46 C41 P4 117.7(5) . . ?
C41 C42 C43 120.3(7) . . ?
C41 C42 C47 122.2(6) . . ?
C43 C42 C47 117.5(7) . . ?
C44 C43 C42 123.2(8) . . ?
C43 C44 C45 116.9(7) . . ?
C43 C44 C48 122.2(10) . . ?
C45 C44 C48 120.9(9) . . ?
C44 C45 C46 123.0(8) . . ?
C45 C46 C41 119.4(7) . . ?
C45 C46 C49 119.4(7) . . ?
C41 C46 C49 121.2(6) . . ?
N2 Na1 N1 75.1(2) . . ?
N2 Na1 P3 113.19(19) . . ?
N1 Na1 P3 121.04(19) . . ?
N2 Na1 C1S 50.2(2) . . ?
N1 Na1 C1S 27.0(2) . . ?
P3 Na1 C1S 116.6(3) . . ?
N2 Na1 Sn1 145.80(17) . . ?
N1 Na1 Sn1 136.17(17) . . ?
P3 Na1 Sn1 44.67(5) . . ?
C1S Na1 Sn1 153.5(2) . . ?
N3 Na2 N4 74.2(3) . . ?
N3 Na2 P4 115.2(2) . . ?
N4 Na2 P4 112.63(19) . . ?
N3 Na2 Sn2 149.5(2) . . ?
N4 Na2 Sn2 130.4(2) . . ?
P4 Na2 Sn2 44.11(5) . . ?
N3 Na2 Na3 92.4(2) . . ?
N4 Na2 Na3 144.9(2) . . ?
P4 Na2 Na3 43.94(6) . . ?
Sn2 Na2 Na3 57.08(5) . . ?
P4 Na3 P2 78.93(7) . . ?
P4 Na3 P3 154.61(10) . . ?
P2 Na3 P3 96.70(8) . . ?
P4 Na3 Sn1 108.04(8) . . ?
P2 Na3 Sn1 88.26(8) . . ?
P3 Na3 Sn1 46.60(5) . . ?
P4 Na3 Na4 53.39(6) . . ?
P2 Na3 Na4 90.23(8) . . ?
P3 Na3 Na4 102.04(8) . . ?
Sn1 Na3 Na4 56.27(5) . . ?
P4 Na3 Sn2 44.31(5) . . ?
P2 Na3 Sn2 43.24(5) . . ?
P3 Na3 Sn2 117.46(8) . . ?
Sn1 Na3 Sn2 80.29(5) . . ?
Na4 Na3 Sn2 50.59(5) . . ?
P4 Na3 Na5 124.90(8) . . ?
P2 Na3 Na5 49.77(6) . . ?
P3 Na3 Na5 47.05(5) . . ?
Sn1 Na3 Na5 59.02(5) . . ?
Na4 Na3 Na5 102.15(8) . . ?
Sn2 Na3 Na5 81.13(6) . . ?
P4 Na3 Na2 44.06(6) . . ?
P2 Na3 Na2 59.15(6) . . ?
P3 Na3 Na2 150.92(8) . . ?
Sn1 Na3 Na2 137.53(8) . . ?
Na4 Na3 Na2 94.52(8) . . ?
Sn2 Na3 Na2 57.43(5) . . ?
Na5 Na3 Na2 106.32(7) . . ?
N6 Na4 N5 73.83(19) . . ?
N6 Na4 P4 126.85(16) . . ?
N5 Na4 P4 138.2(2) . . ?
N6 Na4 Sn2 165.21(16) . . ?
N5 Na4 Sn2 99.71(16) . . ?
P4 Na4 Sn2 50.27(5) . . ?
N6 Na4 Sn1 104.32(15) . . ?
N5 Na4 Sn1 103.5(2) . . ?
P4 Na4 Sn1 104.50(7) . . ?
Sn2 Na4 Sn1 90.05(5) . . ?
N6 Na4 Na3 124.62(15) . . ?
N5 Na4 Na3 154.14(17) . . ?
P4 Na4 Na3 48.99(6) . . ?
Sn2 Na4 Na3 66.29(6) . . ?
Sn1 Na4 Na3 57.01(5) . . ?
N6 Na4 Na6 135.05(16) . . ?
N5 Na4 Na6 73.40(15) . . ?
P4 Na4 Na6 98.05(7) . . ?
Sn2 Na4 Na6 51.58(5) . . ?
Sn1 Na4 Na6 55.80(5) . . ?
Na3 Na4 Na6 81.08(7) . . ?
P3 Na5 P2 101.02(8) . . ?
P3 Na5 P1 161.65(10) . 6_556 ?
P2 Na5 P1 96.05(7) . 6_556 ?
P3 Na5 P1 76.76(7) . . ?
P2 Na5 P1 105.80(8) . . ?
P1 Na5 P1 105.07(8) 6_556 . ?
P3 Na5 Sn1 45.51(4) . . ?
P2 Na5 Sn1 81.55(6) . . ?
P1 Na5 Sn1 145.62(8) 6_556 . ?
P1 Na5 Sn1 44.65(4) . . ?
P3 Na5 Na6 148.73(9) . 6_556 ?
P2 Na5 Na6 49.29(6) . 6_556 ?
P1 Na5 Na6 49.56(6) 6_556 6_556 ?
P1 Na5 Na6 100.00(8) . 6_556 ?
Sn1 Na5 Na6 111.16(7) . 6_556 ?
P3 Na5 Na5 126.45(10) . 6_556 ?
P2 Na5 Na5 106.16(6) . 6_556 ?
P1 Na5 Na5 53.21(6) 6_556 6_556 ?
P1 Na5 Na5 51.91(6) . 6_556 ?
Sn1 Na5 Na5 94.27(8) . 6_556 ?
Na6 Na5 Na5 65.73(6) 6_556 6_556 ?
P3 Na5 Na3 54.19(6) . . ?
P2 Na5 Na3 46.96(5) . . ?
P1 Na5 Na3 141.79(9) 6_556 . ?
P1 Na5 Na3 95.95(7) . . ?
Sn1 Na5 Na3 52.58(5) . . ?
Na6 Na5 Na3 96.01(7) 6_556 . ?
Na5 Na5 Na3 135.00(7) 6_556 . ?
P3 Na5 Na6 99.43(7) . . ?
P2 Na5 Na6 62.85(7) . . ?
P1 Na5 Na6 94.30(7) 6_556 . ?
P1 Na5 Na6 45.62(5) . . ?
Sn1 Na5 Na6 53.96(5) . . ?
Na6 Na5 Na6 60.98(8) 6_556 . ?
Na5 Na5 Na6 57.09(6) 6_556 . ?
Na3 Na5 Na6 77.96(6) . . ?
P2 Na6 P1 102.49(8) 6_556 . ?
P2 Na6 C21 36.97(12) 6_556 6_556 ?
P1 Na6 C21 119.23(16) . 6_556 ?
P2 Na6 Sn2 116.66(9) 6_556 . ?
P1 Na6 Sn2 126.82(9) . . ?
C21 Na6 Sn2 113.64(15) 6_556 . ?
P2 Na6 Sn1 148.96(9) 6_556 . ?
P1 Na6 Sn1 46.85(5) . . ?
C21 Na6 Sn1 152.36(15) 6_556 . ?
Sn2 Na6 Sn1 86.64(6) . . ?
P2 Na6 Na5 52.79(6) 6_556 6_556 ?
P1 Na6 Na5 52.84(6) . 6_556 ?
C21 Na6 Na5 83.82(14) 6_556 6_556 ?
Sn2 Na6 Na5 131.89(9) . 6_556 ?
Sn1 Na6 Na5 96.61(7) . 6_556 ?
P2 Na6 Na6 65.15(7) 6_556 6_556 ?
P1 Na6 Na6 98.52(6) . 6_556 ?
C21 Na6 Na6 96.00(14) 6_556 6_556 ?
Sn2 Na6 Na6 70.06(7) . 6_556 ?
Sn1 Na6 Na6 108.98(9) . 6_556 ?
Na5 Na6 Na6 63.51(6) 6_556 6_556 ?
P2 Na6 Na4 158.95(9) 6_556 . ?
P1 Na6 Na4 98.17(7) . . ?
C21 Na6 Na4 126.61(14) 6_556 . ?
Sn2 Na6 Na4 50.77(5) . . ?
Sn1 Na6 Na4 52.07(5) . . ?
Na5 Na6 Na4 147.96(9) 6_556 . ?
Na6 Na6 Na4 115.76(10) 6_556 . ?
P2 Na6 Na5 101.62(8) 6_556 . ?
P1 Na6 Na5 49.60(6) . . ?
C21 Na6 Na5 138.24(14) 6_556 . ?
Sn2 Na6 Na5 86.71(7) . . ?
Sn1 Na6 Na5 57.10(5) . . ?
Na5 Na6 Na5 57.17(8) 6_556 . ?
Na6 Na6 Na5 55.51(6) 6_556 . ?
Na4 Na6 Na5 94.77(7) . . ?
C2X C1X C6X 120.0 . . ?
C1X C2X C3X 120.0 . . ?
C2X C3X C4X 120.0 . . ?
C5X C4X C3X 120.0 . . ?
C6X C5X C4X 120.0 . . ?
C7X C6X C5X 128.7(13) . . ?
C7X C6X C1X 111.3(13) . . ?
C5X C6X C1X 120.0 . . ?
C2Y C1Y C6Y 120.0 . . ?
C1Y C2Y C3Y 120.0 . . ?
C4Y C3Y C2Y 120.0 . . ?
C3Y C4Y C5Y 120.0 . . ?
C6Y C5Y C4Y 120.0 . . ?
C7Y C6Y C5Y 124.2(10) . . ?
C7Y C6Y C1Y 115.8(10) . . ?
C5Y C6Y C1Y 120.0 . . ?
C6Z C1Z C2Z 123.0(15) . . ?
C3Z C2Z C1Z 126(2) . . ?
C2Z C3Z C4Z 115(2) . . ?
C5Z C4Z C3Z 117(2) . . ?
C4Z C5Z C6Z 127.4(18) . . ?
C1Z C6Z C7Z 131.1(16) . . ?
C1Z C6Z C5Z 110.6(14) . . ?
C7Z C6Z C5Z 117.3(16) . . ?
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
Sn1 C1 2.243(6) . ?
Sn1 P1 2.5645(17) . ?
Sn1 P3 2.5834(17) . ?
Sn1 Na4 3.288(2) . ?
Sn1 Na3 3.317(3) . ?
Sn1 Na6 3.448(2) . ?
Sn1 Na5 3.580(2) . ?
Sn1 Na1 3.662(3) . ?
Sn2 C2 2.225(5) . ?
Sn2 P2 2.5579(19) . ?
Sn2 P4 2.6082(18) . ?
Sn2 Na4 3.146(2) . ?
Sn2 Na6 3.183(2) . ?
Sn2 Na3 3.728(2) . ?
Sn2 Na2 3.743(3) . ?
P1 C11 1.823(6) . ?
P1 Na6 2.856(3) . ?
P1 Na5 2.990(3) 6_556 ?
P1 Na5 3.043(3) . ?
P2 C21 1.847(6) . ?
P2 Na6 2.841(3) 6_556 ?
P2 Na3 2.857(3) . ?
P2 Na5 2.985(3) . ?
P3 C31 1.835(7) . ?
P3 Na1 2.823(3) . ?
P3 Na5 2.897(3) . ?
P3 Na3 3.210(3) . ?
P4 C41 1.849(6) . ?
P4 Na3 2.806(3) . ?
P4 Na2 2.812(3) . ?
P4 Na4 2.985(3) . ?
N1 C1S 1.436(11) . ?
N1 C3S 1.438(11) . ?
N1 C5S 1.452(12) . ?
N1 Na1 2.502(7) . ?
N2 C2S 1.416(10) . ?
N2 C6S 1.425(11) . ?
N2 C4S 1.467(12) . ?
N2 Na1 2.439(6) . ?
C1S C2S 1.371(12) . ?
C1S Na1 3.109(9) . ?
N3 C1T 1.40(2) . ?
N3 C3T 1.446(19) . ?
N3 C5T' 1.49(3) . ?
N3 C5T 1.51(2) . ?
N3 C3T' 1.59(3) . ?
N3 Na2 2.447(8) . ?
N4 C2T 1.444(13) . ?
N4 C4T 1.444(12) . ?
N4 C6T 1.455(12) . ?
N4 Na2 2.491(8) . ?
C1T C2T 1.38(2) . ?
C1T C5T' 1.90(4) . ?
N5 C1U' 1.43(2) . ?
N5 C5U 1.450(11) . ?
N5 C3U 1.473(12) . ?
N5 C1U 1.577(15) . ?
N5 Na4 2.526(7) . ?
N6 C6U 1.433(9) . ?
N6 C2U' 1.450(11) . ?
N6 C4U 1.487(10) . ?
N6 Na4 2.481(5) . ?
C1U' C2U' 1.32(2) . ?
C11 C12 1.411(8) . ?
C11 C16 1.432(8) . ?
C12 C13 1.392(8) . ?
C12 C17 1.507(8) . ?
C13 C14 1.378(9) . ?
C14 C15 1.395(9) . ?
C14 C18 1.528(9) . ?
C15 C16 1.400(8) . ?
C16 C1 1.501(8) . ?
C21 C26 1.420(9) . ?
C21 C22 1.429(9) . ?
C21 Na6 2.972(7) 6_556 ?
C22 C23 1.400(10) . ?
C22 C27 1.528(10) . ?
C23 C24 1.361(11) . ?
C24 C25 1.381(10) . ?
C24 C28 1.538(10) . ?
C25 C26 1.387(8) . ?
C26 C2 1.492(9) . ?
C31 C32 1.424(8) . ?
C31 C36 1.425(9) . ?
C32 C33 1.371(9) . ?
C32 C37 1.513(9) . ?
C33 C34 1.387(10) . ?
C34 C35 1.383(11) . ?
C34 C38 1.418(19) . ?
C34 C38' 1.63(2) . ?
C35 C36 1.385(11) . ?
C36 C39 1.510(10) . ?
C41 C42 1.392(9) . ?
C41 C46 1.413(9) . ?
C42 C43 1.409(10) . ?
C42 C47 1.520(11) . ?
C43 C44 1.342(12) . ?
C44 C45 1.377(12) . ?
C44 C48 1.542(11) . ?
C45 C46 1.403(10) . ?
C46 C49 1.507(10) . ?
Na2 Na3 4.042(4) . ?
Na3 Na4 3.632(3) . ?
Na3 Na5 3.883(3) . ?
Na4 Na6 3.968(3) . ?
Na5 P1 2.990(3) 6_556 ?
Na5 Na6 3.664(3) 6_556 ?
Na5 Na5 3.668(5) 6_556 ?
Na5 Na6 3.979(3) . ?
Na6 P2 2.841(3) 6_556 ?
Na6 C21 2.972(7) 6_556 ?
Na6 Na5 3.664(3) 6_556 ?
Na6 Na6 3.888(5) 6_556 ?
C1X C2X 1.3900 . ?
C1X C6X 1.3900 . ?
C2X C3X 1.3900 . ?
C3X C4X 1.3900 . ?
C4X C5X 1.3900 . ?
C5X C6X 1.3900 . ?
C6X C7X 1.24(2) . ?
C1Y C2Y 1.3900 . ?
C1Y C6Y 1.3900 . ?
C2Y C3Y 1.3900 . ?
C3Y C4Y 1.3900 . ?
C4Y C5Y 1.3900 . ?
C5Y C6Y 1.3900 . ?
C6Y C7Y 1.355(16) . ?
C1Z C6Z 1.278(18) . ?
C1Z C2Z 1.48(2) . ?
C2Z C3Z 1.12(2) . ?
C3Z C4Z 1.62(2) . ?
C4Z C5Z 1.16(2) . ?
C5Z C6Z 1.51(2) . ?
C6Z C7Z 1.31(2) . ?
