#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:02:51 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178616 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/27/4072769.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_4072769
loop_
_publ_author_name
'Song, Shu-Yan'
'Ma, Jian-Fang'
'Yang, Jin'
'Gao, Li-Li'
'Su, Zhong-Min'
_publ_section_title
;
 Synthesis of an Organotin Oligomer Containing a Heptanuclear Tin
 Phosphonate Cluster by Debenzylation Reactions:  X-ray Crystal
 Structure of {Na6(CH3OH)2(H2O)}-
 {[(BzSn)3(PhPO3)5(μ3-O)(CH3O)]2Bz2Sn}·CH3OH
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              2125
_journal_paper_doi               10.1021/om061015u
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C121 H126 Na6 O38 P10 Sn7'
_chemical_formula_sum            'C121 H126 Na6 O38 P10 Sn7'
_chemical_formula_weight         3466.69
_chemical_melting_point          ?
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 107.9690(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.8549(7)
_cell_length_b                   25.3171(11)
_cell_length_c                   17.1689(7)
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.65
_cell_measurement_theta_min      1.61
_cell_volume                     6968.9(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT software (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.909
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0835
_diffrn_reflns_av_sigmaI/netI    0.1317
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            43135
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.65
_diffrn_reflns_theta_min         1.61
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    1.443
_exptl_absorpt_correction_T_max  0.794
_exptl_absorpt_correction_T_min  0.735
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3444
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.458
_refine_diff_density_min         -0.913
_refine_diff_density_rms         0.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     694
_refine_ls_number_reflns         16291
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.1697
_refine_ls_R_factor_gt           0.0773
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0510P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1393
_refine_ls_wR_factor_ref         0.1713
_reflns_number_gt                7570
_reflns_number_total             16291
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om061015usi20070118_112316.cif
_cod_data_source_block           p21c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_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_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4072769
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4432(4) 0.6234(3) 0.1139(5) 0.040(3) Uani 1 1 d G . .
C2 C 0.4252(4) 0.6250(4) 0.0293(4) 0.070(5) Uani 1 1 d G . .
H2 H 0.3703 0.6287 -0.0039 0.084 Uiso 1 1 calc R . .
C3 C 0.4892(6) 0.6209(4) -0.0055(4) 0.078(5) Uani 1 1 d G . .
H3 H 0.4772 0.6219 -0.0621 0.093 Uiso 1 1 calc R . .
C4 C 0.5713(5) 0.6152(4) 0.0442(5) 0.068(4) Uani 1 1 d G . .
H4 H 0.6141 0.6125 0.0209 0.082 Uiso 1 1 calc R . .
C5 C 0.5892(4) 0.6137(4) 0.1288(5) 0.063(4) Uani 1 1 d G . .
H5 H 0.6441 0.6099 0.1621 0.075 Uiso 1 1 calc R . .
C6 C 0.5252(5) 0.6178(3) 0.1637(3) 0.051(3) Uani 1 1 d G . .
H6 H 0.5372 0.6167 0.2203 0.061 Uiso 1 1 calc R . .
C7 C 0.4182(6) 0.3319(3) 0.2115(5) 0.054(4) Uani 1 1 d G . .
C8 C 0.3742(5) 0.2905(4) 0.2322(7) 0.122(8) Uani 1 1 d G . .
H8 H 0.3172 0.2871 0.2062 0.146 Uiso 1 1 calc R . .
C9 C 0.4155(8) 0.2542(4) 0.2916(8) 0.135(8) Uiso 1 1 d G . .
H9 H 0.3861 0.2266 0.3055 0.162 Uiso 1 1 calc R . .
C10 C 0.5007(8) 0.2593(4) 0.3304(6) 0.114(7) Uiso 1 1 d G . .
H10 H 0.5283 0.2350 0.3702 0.137 Uiso 1 1 calc R . .
C11 C 0.5446(6) 0.3006(4) 0.3097(6) 0.111(7) Uani 1 1 d G . .
H11 H 0.6016 0.3040 0.3357 0.133 Uiso 1 1 calc R . .
C12 C 0.5034(6) 0.3369(3) 0.2503(6) 0.058(4) Uani 1 1 d G . .
H12 H 0.5328 0.3646 0.2364 0.070 Uiso 1 1 calc R . .
C13 C 0.0665(4) 0.4662(2) 0.4146(4) 0.022(2) Uani 1 1 d G . .
C14 C 0.0025(4) 0.4376(3) 0.3607(3) 0.044(3) Uani 1 1 d G . .
H14 H -0.0138 0.4452 0.3050 0.052 Uiso 1 1 calc R . .
C15 C -0.0373(4) 0.3977(3) 0.3900(6) 0.061(4) Uani 1 1 d G . .
H15 H -0.0801 0.3785 0.3540 0.073 Uiso 1 1 calc R . .
C16 C -0.0129(5) 0.3864(3) 0.4733(6) 0.072(5) Uani 1 1 d G . .
H16 H -0.0395 0.3596 0.4929 0.086 Uiso 1 1 calc R . .
C17 C 0.0512(6) 0.4150(3) 0.5272(4) 0.066(4) Uani 1 1 d G . .
H17 H 0.0675 0.4074 0.5829 0.079 Uiso 1 1 calc R . .
C18 C 0.0909(4) 0.4549(3) 0.4979(4) 0.049(3) Uani 1 1 d G . .
H18 H 0.1338 0.4741 0.5340 0.059 Uiso 1 1 calc R . .
C19 C 0.1221(4) 0.4595(3) -0.0944(4) 0.024(2) Uani 1 1 d G . .
C20 C 0.0892(4) 0.4729(3) -0.1767(4) 0.047(3) Uani 1 1 d G . .
H20 H 0.0587 0.5038 -0.1917 0.056 Uiso 1 1 calc R . .
C21 C 0.1020(5) 0.4399(3) -0.2365(3) 0.066(5) Uani 1 1 d G . .
H21 H 0.0799 0.4488 -0.2915 0.080 Uiso 1 1 calc R . .
C22 C 0.1476(4) 0.3936(3) -0.2140(4) 0.047(3) Uani 1 1 d G . .
H22 H 0.1561 0.3715 -0.2540 0.057 Uiso 1 1 calc R . .
C23 C 0.1805(4) 0.3803(2) -0.1318(4) 0.042(3) Uani 1 1 d G . .
H23 H 0.2111 0.3493 -0.1167 0.051 Uiso 1 1 calc R . .
C24 C 0.1678(4) 0.4132(3) -0.0720(3) 0.034(3) Uani 1 1 d G . .
H24 H 0.1898 0.4043 -0.0170 0.041 Uiso 1 1 calc R . .
C31 C 0.2717(4) 0.3393(2) 0.4264(4) 0.021(2) Uiso 1 1 d G A .
C32 C 0.1897(4) 0.3396(2) 0.4279(4) 0.033(3) Uani 1 1 d G . .
H32 H 0.1571 0.3698 0.4123 0.040 Uiso 1 1 calc R . .
C33 C 0.1563(3) 0.2948(3) 0.4528(5) 0.044(3) Uani 1 1 d G . .
H33 H 0.1015 0.2950 0.4538 0.053 Uiso 1 1 calc R . .
C34 C 0.2050(5) 0.2497(2) 0.4761(5) 0.054(4) Uani 1 1 d G . .
H34 H 0.1827 0.2198 0.4927 0.065 Uiso 1 1 calc R . .
C35 C 0.2870(5) 0.2495(2) 0.4746(5) 0.050(3) Uani 1 1 d G . .
H35 H 0.3195 0.2193 0.4902 0.060 Uiso 1 1 calc R . .
C36 C 0.3203(3) 0.2943(3) 0.4497(5) 0.037(3) Uani 1 1 d G . .
H36 H 0.3751 0.2941 0.4487 0.045 Uiso 1 1 calc R . .
C37 C 0.1021(4) 0.3494(2) 0.1499(4) 0.030(3) Uani 1 1 d G . .
C38 C 0.0493(4) 0.3296(3) 0.0767(3) 0.033(3) Uani 1 1 d G . .
H38 H 0.0207 0.3527 0.0355 0.039 Uiso 1 1 calc R . .
C39 C 0.0394(4) 0.2754(3) 0.0652(4) 0.046(3) Uani 1 1 d G . .
H39 H 0.0040 0.2622 0.0162 0.055 Uiso 1 1 calc R . .
C40 C 0.0822(4) 0.2409(2) 0.1268(5) 0.041(3) Uani 1 1 d G . .
H40 H 0.0755 0.2046 0.1191 0.049 Uiso 1 1 calc R . .
C41 C 0.1350(4) 0.2607(3) 0.2000(4) 0.047(3) Uani 1 1 d G . .
H41 H 0.1637 0.2376 0.2413 0.057 Uiso 1 1 calc R . .
C42 C 0.1450(4) 0.3149(3) 0.2116(3) 0.036(3) Uani 1 1 d G . .
H42 H 0.1803 0.3281 0.2606 0.043 Uiso 1 1 calc R . .
C43 C 0.2652(5) 0.6618(3) 0.4170(5) 0.032(3) Uani 1 1 d G A .
C44 C 0.1792(5) 0.6655(4) 0.3820(5) 0.068(4) Uani 1 1 d G . .
H44 H 0.1507 0.6400 0.3449 0.081 Uiso 1 1 calc R . .
C45 C 0.1359(5) 0.7072(4) 0.4026(6) 0.099(7) Uani 1 1 d G . .
H45 H 0.0784 0.7096 0.3792 0.119 Uiso 1 1 calc R . .
C46 C 0.1785(7) 0.7452(3) 0.4581(7) 0.090(6) Uiso 1 1 d G . .
H46 H 0.1496 0.7732 0.4719 0.108 Uiso 1 1 calc R . .
C47 C 0.2645(7) 0.7416(3) 0.4931(6) 0.102(6) Uani 1 1 d G . .
H47 H 0.2931 0.7671 0.5303 0.123 Uiso 1 1 calc R . .
C48 C 0.3078(4) 0.6999(4) 0.4726(5) 0.075(5) Uani 1 1 d G . .
H48 H 0.3654 0.6974 0.4960 0.090 Uiso 1 1 calc R . .
C49 C 0.1081(5) 0.6521(2) 0.1637(5) 0.024(2) Uani 1 1 d G . .
C50 C 0.1652(4) 0.6919(3) 0.1647(6) 0.084(6) Uani 1 1 d G . .
H50 H 0.2162 0.6836 0.1576 0.101 Uiso 1 1 calc R . .
C51 C 0.1459(6) 0.7441(3) 0.1763(7) 0.120(8) Uani 1 1 d G . .
H51 H 0.1840 0.7708 0.1770 0.144 Uiso 1 1 calc R . .
C52 C 0.0695(7) 0.7565(3) 0.1869(6) 0.068(4) Uani 1 1 d G . .
H52 H 0.0566 0.7914 0.1947 0.082 Uiso 1 1 calc R . .
C53 C 0.0124(5) 0.7167(4) 0.1859(6) 0.082(5) Uani 1 1 d G . .
H53 H -0.0387 0.7249 0.1930 0.099 Uiso 1 1 calc R . .
C54 C 0.0317(4) 0.6645(3) 0.1743(6) 0.069(4) Uani 1 1 d G . .
H54 H -0.0065 0.6378 0.1736 0.083 Uiso 1 1 calc R . .
C55 C 0.3751(6) 0.6308(5) 0.1546(7) 0.036(3) Uiso 1 1 d . A .
H55A H 0.3268 0.6451 0.1133 0.044 Uiso 1 1 calc R . .
H55B H 0.3944 0.6579 0.1960 0.044 Uiso 1 1 calc R . .
C56 C 0.3698(7) 0.3719(5) 0.1534(7) 0.044(4) Uani 1 1 d . A .
H56A H 0.3224 0.3548 0.1144 0.053 Uiso 1 1 calc R . .
H56B H 0.4045 0.3866 0.1231 0.053 Uiso 1 1 calc R . .
C57 C 0.1046(6) 0.5122(4) 0.3835(6) 0.030(3) Uani 1 1 d . A .
H57A H 0.1309 0.5346 0.4301 0.036 Uiso 1 1 calc R . .
H57B H 0.0590 0.5324 0.3474 0.036 Uiso 1 1 calc R . .
C58 C 0.1139(5) 0.4968(5) -0.0302(5) 0.033(2) Uani 1 1 d . . .
H58A H 0.1247 0.5320 -0.0467 0.039 Uiso 1 1 calc R . .
H58B H 0.1583 0.4886 0.0197 0.039 Uiso 1 1 calc R . .
C59 C 0.3405(6) 0.5001(5) 0.0580(5) 0.035(2) Uani 1 1 d . . .
H59A H 0.3539 0.5348 0.0431 0.053 Uiso 1 1 calc R . .
H59B H 0.2845 0.4913 0.0261 0.053 Uiso 1 1 calc R . .
H59C H 0.3785 0.4749 0.0478 0.053 Uiso 1 1 calc R . .
C60 C 0.4676(15) 0.7331(9) 0.3827(16) 0.060(7) Uiso 0.50 1 d PD . .
H60A H 0.4667 0.7622 0.3465 0.090 Uiso 0.50 1 calc PR . .
H60B H 0.4975 0.7432 0.4379 0.090 Uiso 0.50 1 calc PR . .
H60C H 0.4115 0.7236 0.3793 0.090 Uiso 0.50 1 calc PR . .
C61 C 0.6595(16) 0.6433(12) 0.365(2) 0.133(15) Uiso 0.50 1 d PD . .
H61A H 0.7120 0.6524 0.3573 0.200 Uiso 0.50 1 calc PR . .
H61B H 0.6423 0.6711 0.3940 0.200 Uiso 0.50 1 calc PR . .
H61C H 0.6183 0.6387 0.3122 0.200 Uiso 0.50 1 calc PR . .
C62 C 0.1482(19) 0.6255(14) -0.124(2) 0.097(11) Uiso 0.50 1 d P . .
H62A H 0.1631 0.5988 -0.1568 0.146 Uiso 0.50 1 calc PR . .
H62B H 0.1496 0.6595 -0.1483 0.146 Uiso 0.50 1 calc PR . .
H62C H 0.0930 0.6187 -0.1216 0.146 Uiso 0.50 1 calc PR . .
O1 O 0.0553(3) 0.5653(3) 0.0799(3) 0.0211(15) Uani 1 1 d . . .
O2 O 0.1324(4) 0.5542(3) 0.2325(3) 0.0198(15) Uani 1 1 d . A .
O3 O 0.2118(4) 0.5780(3) 0.1345(4) 0.0261(17) Uani 1 1 d . A .
O4 O 0.5316(4) 0.4989(4) 0.4154(4) 0.0390(16) Uani 1 1 d . . .
O5 O 0.4482(4) 0.4496(3) 0.2916(4) 0.0278(18) Uani 1 1 d . A .
O6 O 0.4542(4) 0.5497(3) 0.2909(4) 0.0303(19) Uani 1 1 d . A .
O7 O 0.2732(4) 0.5551(3) 0.4000(4) 0.0240(17) Uani 1 1 d . . .
O8 O 0.3155(4) 0.6142(3) 0.3028(4) 0.0241(17) Uani 1 1 d . A .
O9 O 0.4078(4) 0.6039(3) 0.4510(4) 0.0266(18) Uani 1 1 d . . .
O10 O 0.3078(4) 0.3870(3) 0.3042(4) 0.0209(16) Uani 1 1 d . A .
O11 O 0.2677(4) 0.4453(3) 0.4050(4) 0.0210(16) Uani 1 1 d . . .
O12 O 0.4049(4) 0.4015(3) 0.4467(4) 0.0290(18) Uani 1 1 d . . .
O13 O 0.0482(4) 0.4454(3) 0.1009(4) 0.0227(16) Uani 1 1 d . . .
O14 O 0.2024(4) 0.4280(3) 0.1381(4) 0.0266(17) Uani 1 1 d . A .
O15 O 0.1367(3) 0.4346(3) 0.2499(3) 0.0176(14) Uani 1 1 d . A .
O16 O 0.3470(3) 0.4994(3) 0.1428(3) 0.0286(14) Uani 1 1 d . A .
O17 O 0.5042(9) 0.6931(7) 0.3616(10) 0.055(5) Uiso 0.50 1 d PD . .
H17A H 0.5251 0.6999 0.3184 0.066 Uiso 0.50 1 calc PR . .
O18 O 0.6683(10) 0.5943(7) 0.4112(10) 0.060(5) Uiso 0.50 1 d PD . .
H18A H 0.7098 0.5692 0.4315 0.072 Uiso 0.50 1 calc PR . .
O19 O 0.2094(17) 0.6246(13) -0.0387(17) 0.139(10) Uiso 0.50 1 d P . .
H19 H 0.2500 0.6067 -0.0383 0.208 Uiso 0.50 1 calc PR . .
OW1 O 0.6631(14) 0.3954(9) 0.3836(15) 0.114(8) Uiso 0.50 1 d PD . .
O20 O 0.2902(3) 0.5022(3) 0.2663(3) 0.0159(11) Uani 1 1 d . A .
P1 P 0.12731(16) 0.58312(12) 0.15201(16) 0.0232(7) Uani 1 1 d . . .
P2 P 0.50122(13) 0.49830(15) 0.32300(14) 0.0266(5) Uani 1 1 d . . .
P3 P 0.31956(16) 0.60615(12) 0.39240(16) 0.0203(6) Uani 1 1 d . . .
P4 P 0.31667(16) 0.39621(12) 0.39477(16) 0.0233(7) Uani 1 1 d . . .
P5 P 0.12288(15) 0.41922(12) 0.16026(15) 0.0193(6) Uani 1 1 d . . .
Sn1 Sn 0.0000 0.5000 0.0000 0.02132(18) Uani 1 2 d S . .
Sn2 Sn 0.32536(4) 0.43507(3) 0.21321(4) 0.02032(19) Uani 1 1 d . . .
Sn3 Sn 0.33155(4) 0.56581(3) 0.21154(4) 0.02095(19) Uani 1 1 d . . .
Sn4 Sn 0.19421(3) 0.49976(4) 0.31951(3) 0.01738(13) Uani 1 1 d . . .
Na1 Na 0.6019(2) 0.5002(2) 0.5470(2) 0.0327(8) Uani 1 1 d . . .
Na2 Na 0.5275(2) 0.6078(2) 0.4116(2) 0.0379(13) Uani 1 1 d D . .
Na3 Na 0.5234(2) 0.39435(19) 0.4126(2) 0.0392(13) Uani 1 1 d . . .
C25 C 0.5953(14) 0.4834(9) 0.3023(15) 0.028(6) Uiso 0.475(13) 1 d P A 1
C26 C 0.5888(15) 0.4874(10) 0.2162(16) 0.034(6) Uiso 0.475(13) 1 d P A 1
C27 C 0.668(2) 0.4730(14) 0.195(2) 0.068(9) Uiso 0.475(13) 1 d P A 1
C28 C 0.740(2) 0.4580(16) 0.261(2) 0.088(12) Uiso 0.475(13) 1 d P A 1
C29 C 0.7411(19) 0.4534(14) 0.339(2) 0.078(10) Uiso 0.475(13) 1 d P A 1
C30 C 0.6686(15) 0.4712(9) 0.3618(15) 0.042(7) Uiso 0.475(13) 1 d PD A 1
C25' C 0.5838(9) 0.4986(10) 0.2701(11) 0.018(3) Uiso 0.525(13) 1 d P A 2
C26' C 0.5588(15) 0.4838(9) 0.1873(15) 0.037(6) Uiso 0.525(13) 1 d P A 2
C27' C 0.6309(14) 0.4817(9) 0.1542(15) 0.039(6) Uiso 0.525(13) 1 d P A 2
C28' C 0.7123(15) 0.4983(14) 0.1972(14) 0.057(6) Uiso 0.525(13) 1 d P A 2
C29' C 0.7274(14) 0.5154(9) 0.2793(15) 0.053(7) Uiso 0.525(13) 1 d P A 2
C30' C 0.6627(12) 0.5175(8) 0.3143(13) 0.036(6) Uiso 0.525(13) 1 d P A 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'
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'
Sn Sn -0.6537 1.4246 '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'
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
C2 C1 C6 120.0 . .
C2 C1 C55 121.4(7) . .
C6 C1 C55 118.5(7) . .
C1 C2 C3 120.0 . .
C1 C2 H2 120.0 . .
C3 C2 H2 120.0 . .
C4 C3 C2 120.0 . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C3 C4 C5 120.0 . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C4 C5 C6 120.0 . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
C5 C6 C1 120.0 . .
C5 C6 H6 120.0 . .
C1 C6 H6 120.0 . .
C8 C7 C12 120.0 . .
C8 C7 C56 117.5(8) . .
C12 C7 C56 122.3(8) . .
C9 C8 C7 120.0 . .
C9 C8 H8 120.0 . .
C7 C8 H8 120.0 . .
C8 C9 C10 120.0 . .
C8 C9 H9 120.0 . .
C10 C9 H9 120.0 . .
C11 C10 C9 120.0 . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
C12 C11 C10 120.0 . .
C12 C11 Na3 77.8(4) . .
C10 C11 Na3 105.7(4) . .
C12 C11 H11 120.0 . .
C10 C11 H11 120.0 . .
Na3 C11 H11 86.5 . .
C11 C12 C7 120.0 . .
C11 C12 Na3 75.9(4) . .
C7 C12 Na3 106.7(4) . .
C11 C12 H12 120.0 . .
C7 C12 H12 120.0 . .
Na3 C12 H12 87.5 . .
C14 C13 C18 120.0 . .
C14 C13 C57 119.7(6) . .
C18 C13 C57 120.1(6) . .
C13 C14 C15 120.0 . .
C13 C14 H14 120.0 . .
C15 C14 H14 120.0 . .
C16 C15 C14 120.0 . .
C16 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C17 C16 C15 120.0 . .
C17 C16 H16 120.0 . .
C15 C16 H16 120.0 . .
C16 C17 C18 120.0 . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C17 C18 C13 120.0 . .
C17 C18 H18 120.0 . .
C13 C18 H18 120.0 . .
C20 C19 C24 120.0 . .
C20 C19 C58 119.9(6) . .
C24 C19 C58 119.9(6) . .
C19 C20 C21 120.0 . .
C19 C20 H20 120.0 . .
C21 C20 H20 120.0 . .
C22 C21 C20 120.0 . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
C23 C22 C21 120.0 . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C24 120.0 . .
C22 C23 H23 120.0 . .
C24 C23 H23 120.0 . .
C23 C24 C19 120.0 . .
C23 C24 H24 120.0 . .
C19 C24 H24 120.0 . .
C32 C31 C36 120.0 . .
C32 C31 P4 121.3(4) . .
C36 C31 P4 118.7(4) . .
C31 C32 C33 120.0 . .
C31 C32 H32 120.0 . .
C33 C32 H32 120.0 . .
C34 C33 C32 120.0 . .
C34 C33 H33 120.0 . .
C32 C33 H33 120.0 . .
C33 C34 C35 120.0 . .
C33 C34 H34 120.0 . .
C35 C34 H34 120.0 . .
C36 C35 C34 120.0 . .
C36 C35 H35 120.0 . .
C34 C35 H35 120.0 . .
C35 C36 C31 120.0 . .
C35 C36 H36 120.0 . .
C31 C36 H36 120.0 . .
C38 C37 C42 120.0 . .
C38 C37 P5 119.6(4) . .
C42 C37 P5 120.1(4) . .
C39 C38 C37 120.0 . .
C39 C38 H38 120.0 . .
C37 C38 H38 120.0 . .
C38 C39 C40 120.0 . .
C38 C39 H39 120.0 . .
C40 C39 H39 120.0 . .
C41 C40 C39 120.0 . .
C41 C40 H40 120.0 . .
C39 C40 H40 120.0 . .
C42 C41 C40 120.0 . .
C42 C41 H41 120.0 . .
C40 C41 H41 120.0 . .
C41 C42 C37 120.0 . .
C41 C42 H42 120.0 . .
C37 C42 H42 120.0 . .
C44 C43 C48 120.0 . .
C44 C43 P3 119.3(5) . .
C48 C43 P3 120.7(5) . .
C45 C44 C43 120.0 . .
C45 C44 H44 120.0 . .
C43 C44 H44 120.0 . .
C44 C45 C46 120.0 . .
C44 C45 H45 120.0 . .
C46 C45 H45 120.0 . .
C47 C46 C45 120.0 . .
C47 C46 H46 120.0 . .
C45 C46 H46 120.0 . .
C48 C47 C46 120.0 . .
C48 C47 H47 120.0 . .
C46 C47 H47 120.0 . .
C47 C48 C43 120.0 . .
C47 C48 H48 120.0 . .
C43 C48 H48 120.0 . .
C50 C49 C54 120.0 . .
C50 C49 P1 123.9(5) . .
C54 C49 P1 116.1(5) . .
C51 C50 C49 120.0 . .
C51 C50 H50 120.0 . .
C49 C50 H50 120.0 . .
C52 C51 C50 120.0 . .
C52 C51 H51 120.0 . .
C50 C51 H51 120.0 . .
C51 C52 C53 120.0 . .
C51 C52 H52 120.0 . .
C53 C52 H52 120.0 . .
C52 C53 C54 120.0 . .
C52 C53 H53 120.0 . .
C54 C53 H53 120.0 . .
C53 C54 C49 120.0 . .
C53 C54 H54 120.0 . .
C49 C54 H54 120.0 . .
C1 C55 Sn3 121.6(7) . .
C1 C55 H55A 106.9 . .
Sn3 C55 H55A 106.9 . .
C1 C55 H55B 106.9 . .
Sn3 C55 H55B 106.9 . .
H55A C55 H55B 106.7 . .
C7 C56 Sn2 112.8(7) . .
C7 C56 H56A 109.0 . .
Sn2 C56 H56A 109.0 . .
C7 C56 H56B 109.0 . .
Sn2 C56 H56B 109.0 . .
H56A C56 H56B 107.8 . .
C13 C57 Sn4 120.9(6) . .
C13 C57 H57A 107.1 . .
Sn4 C57 H57A 107.1 . .
C13 C57 H57B 107.1 . .
Sn4 C57 H57B 107.1 . .
H57A C57 H57B 106.8 . .
C19 C58 Sn1 119.9(6) . .
C19 C58 H58A 107.3 . .
Sn1 C58 H58A 107.3 . .
C19 C58 H58B 107.3 . .
Sn1 C58 H58B 107.3 . .
H58A C58 H58B 106.9 . .
O16 C59 H59A 109.5 . .
O16 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
O16 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
O17 C60 H60A 109.5 . .
O17 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
O17 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
O18 C61 Na2 61.0(9) . .
O18 C61 H61A 109.5 . .
Na2 C61 H61A 169.3 . .
O18 C61 H61B 109.5 . .
Na2 C61 H61B 71.6 . .
H61A C61 H61B 109.5 . .
O18 C61 H61C 109.5 . .
Na2 C61 H61C 79.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
O19 C62 H62A 109.5 . .
O19 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
O19 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
P1 O1 Sn1 145.7(4) . .
P1 O2 Sn4 147.3(4) . .
P1 O3 Sn3 131.5(4) . .
P2 O4 Na1 168.1(4) . .
P2 O4 Na1 103.3(3) . 3_666
Na1 O4 Na1 88.7(2) . 3_666
P2 O4 Na3 88.4(4) . .
Na1 O4 Na3 92.3(3) . .
Na1 O4 Na3 88.2(3) 3_666 .
P2 O4 Na2 89.3(4) . .
Na1 O4 Na2 90.7(3) . .
Na1 O4 Na2 88.8(3) 3_666 .
Na3 O4 Na2 175.7(3) . .
P2 O5 Sn2 135.7(4) . .
P2 O5 Na3 93.8(3) . .
Sn2 O5 Na3 125.1(3) . .
P2 O6 Sn3 133.0(4) . .
P2 O6 Na2 97.5(3) . .
Sn3 O6 Na2 122.9(3) . .
P3 O7 Sn4 137.1(4) . .
P3 O7 Na1 96.3(3) . 3_666
Sn4 O7 Na1 99.1(3) . 3_666
P3 O8 Sn3 134.8(4) . .
P3 O9 Na3 140.1(4) . 3_666
P3 O9 Na2 124.6(4) . .
Na3 O9 Na2 95.0(3) 3_666 .
P3 O9 Na1 89.6(3) . 3_666
Na3 O9 Na1 91.1(3) 3_666 3_666
Na2 O9 Na1 96.2(3) . 3_666
P4 O10 Sn2 133.1(4) . .
P4 O11 Sn4 132.2(4) . .
P4 O11 Na1 92.1(3) . 3_666
Sn4 O11 Na1 97.8(3) . 3_666
P4 O12 Na3 129.8(4) . .
P4 O12 Na2 133.3(4) . 3_666
Na3 O12 Na2 94.3(3) . 3_666
P4 O12 Na1 93.7(4) . 3_666
Na3 O12 Na1 98.4(3) . 3_666
Na2 O12 Na1 94.0(3) 3_666 3_666
P5 O13 Sn1 148.1(4) . .
P5 O14 Sn2 130.1(4) . .
P5 O15 Sn4 132.3(4) . .
C59 O16 Sn3 125.1(8) . .
C59 O16 Sn2 128.1(7) . .
Sn3 O16 Sn2 102.7(2) . .
C60 O17 Na2 131.9(16) . .
C60 O17 H17A 114.0 . .
Na2 O17 H17A 114.0 . .
C61 O18 Na2 86.9(11) . .
C61 O18 H18A 136.5 . .
Na2 O18 H18A 136.5 . .
C62 O19 H19 109.5 . .
Sn4 O20 Sn3 129.1(3) . .
Sn4 O20 Sn2 121.8(3) . .
Sn3 O20 Sn2 104.5(2) . .
O1 P1 O2 113.7(4) . .
O1 P1 O3 111.7(4) . .
O2 P1 O3 109.5(4) . .
O1 P1 C49 104.7(4) . .
O2 P1 C49 108.8(4) . .
O3 P1 C49 108.1(4) . .
O4 P2 O5 110.7(5) . .
O4 P2 O6 109.8(5) . .
O5 P2 O6 112.2(3) . .
O4 P2 C25 100.3(8) . .
O5 P2 C25 102.8(8) . .
O6 P2 C25 120.2(9) . .
O4 P2 C25' 116.5(6) . .
O5 P2 C25' 105.8(7) . .
O6 P2 C25' 101.5(8) . .
C25 P2 C25' 20.2(8) . .
O4 P2 Na3 61.6(4) . .
O5 P2 Na3 55.9(3) . .
O6 P2 Na3 153.2(3) . .
C25 P2 Na3 86.5(8) . .
C25' P2 Na3 104.8(8) . .
O4 P2 Na2 61.8(4) . .
O5 P2 Na2 150.6(3) . .
O6 P2 Na2 53.4(3) . .
C25 P2 Na2 106.6(7) . .
C25' P2 Na2 102.5(7) . .
Na3 P2 Na2 123.32(12) . .
O4 P2 Na1 49.6(3) . 3_666
O5 P2 Na1 82.7(3) . 3_666
O6 P2 Na1 84.8(3) . 3_666
C25 P2 Na1 148.2(8) . 3_666
C25' P2 Na1 166.1(5) . 3_666
Na3 P2 Na1 70.45(14) . 3_666
Na2 P2 Na1 71.25(13) . 3_666
O9 P3 O8 113.6(4) . .
O9 P3 O7 109.4(4) . .
O8 P3 O7 109.4(4) . .
O9 P3 C43 109.8(4) . .
O8 P3 C43 105.3(4) . .
O7 P3 C43 109.2(4) . .
O9 P3 Na1 60.4(3) . 3_666
O8 P3 Na1 110.0(3) . 3_666
O7 P3 Na1 53.5(3) . 3_666
C43 P3 Na1 144.3(3) . 3_666
O9 P3 Na2 34.0(3) . .
O8 P3 Na2 79.7(3) . .
O7 P3 Na2 122.4(3) . .
C43 P3 Na2 123.3(3) . .
Na1 P3 Na2 69.65(12) 3_666 .
O12 P4 O11 109.5(4) . .
O12 P4 O10 112.9(4) . .
O11 P4 O10 110.6(4) . .
O12 P4 C31 109.3(4) . .
O11 P4 C31 108.9(3) . .
O10 P4 C31 105.5(4) . .
O12 P4 Na1 56.5(3) . 3_666
O11 P4 Na1 57.1(3) . 3_666
O10 P4 Na1 111.3(3) . 3_666
C31 P4 Na1 143.1(3) . 3_666
O12 P4 Na3 30.6(3) . .
O11 P4 Na3 125.0(3) . .
O10 P4 Na3 82.3(2) . .
C31 P4 Na3 118.7(3) . .
Na1 P4 Na3 68.26(12) 3_666 .
O13 P5 O14 112.6(4) . .
O13 P5 O15 113.8(4) . .
O14 P5 O15 110.0(3) . .
O13 P5 C37 105.6(4) . .
O14 P5 C37 106.2(4) . .
O15 P5 C37 108.2(4) . .
C58 Sn1 C58 180.0 . 3_565
C58 Sn1 O1 93.5(3) . 3_565
C58 Sn1 O1 86.5(3) 3_565 3_565
C58 Sn1 O1 86.5(3) . .
C58 Sn1 O1 93.5(3) 3_565 .
O1 Sn1 O1 180.0(4) 3_565 .
C58 Sn1 O13 88.5(3) . 3_565
C58 Sn1 O13 91.5(3) 3_565 3_565
O1 Sn1 O13 89.9(2) 3_565 3_565
O1 Sn1 O13 90.1(2) . 3_565
C58 Sn1 O13 91.5(3) . .
C58 Sn1 O13 88.5(3) 3_565 .
O1 Sn1 O13 90.1(2) 3_565 .
O1 Sn1 O13 89.9(2) . .
O13 Sn1 O13 180.0(3) 3_565 .
O10 Sn2 O14 94.0(2) . .
O10 Sn2 O20 91.3(2) . .
O14 Sn2 O20 88.7(2) . .
O10 Sn2 O5 87.8(2) . .
O14 Sn2 O5 174.8(3) . .
O20 Sn2 O5 86.3(2) . .
O10 Sn2 O16 165.5(2) . .
O14 Sn2 O16 91.5(2) . .
O20 Sn2 O16 75.4(2) . .
O5 Sn2 O16 85.6(2) . .
O10 Sn2 C56 94.2(4) . .
O14 Sn2 C56 93.8(3) . .
O20 Sn2 C56 173.7(4) . .
O5 Sn2 C56 90.9(3) . .
O16 Sn2 C56 98.8(4) . .
O3 Sn3 O8 93.8(3) . .
O3 Sn3 O20 90.4(2) . .
O8 Sn3 O20 88.7(2) . .
O3 Sn3 O16 91.5(3) . .
O8 Sn3 O16 163.6(3) . .
O20 Sn3 O16 75.8(2) . .
O3 Sn3 O6 177.6(3) . .
O8 Sn3 O6 87.5(3) . .
O20 Sn3 O6 87.6(2) . .
O16 Sn3 O6 86.7(3) . .
O3 Sn3 C55 89.9(3) . .
O8 Sn3 C55 91.9(3) . .
O20 Sn3 C55 179.3(3) . .
O16 Sn3 C55 103.6(3) . .
O6 Sn3 C55 92.1(3) . .
O2 Sn4 O20 87.1(2) . .
O2 Sn4 O15 94.1(2) . .
O20 Sn4 O15 93.3(2) . .
O2 Sn4 O11 174.5(2) . .
O20 Sn4 O11 87.5(2) . .
O15 Sn4 O11 87.2(2) . .
O2 Sn4 O7 96.1(3) . .
O20 Sn4 O7 81.4(2) . .
O15 Sn4 O7 168.3(2) . .
O11 Sn4 O7 82.1(2) . .
O2 Sn4 C57 89.7(3) . .
O20 Sn4 C57 168.8(3) . .
O15 Sn4 C57 97.6(3) . .
O11 Sn4 C57 95.5(3) . .
O7 Sn4 C57 88.2(3) . .
O2 Sn4 Na1 130.51(19) . 3_666
O20 Sn4 Na1 63.21(15) . 3_666
O15 Sn4 Na1 124.30(19) . 3_666
O11 Sn4 Na1 45.38(19) . 3_666
O7 Sn4 Na1 44.0(2) . 3_666
C57 Sn4 Na1 111.7(3) . 3_666
O4 Na1 O7 119.9(3) . 3_666
O4 Na1 O12 92.4(3) . 3_666
O7 Na1 O12 126.7(3) 3_666 3_666
O4 Na1 O11 118.9(3) . 3_666
O7 Na1 O11 68.2(2) 3_666 3_666
O12 Na1 O11 58.9(2) 3_666 3_666
O4 Na1 O4 91.3(2) . 3_666
O7 Na1 O4 129.8(3) 3_666 3_666
O12 Na1 O4 85.7(3) 3_666 3_666
O11 Na1 O4 132.1(3) 3_666 3_666
O4 Na1 O9 89.0(3) . 3_666
O7 Na1 O9 58.4(2) 3_666 3_666
O12 Na1 O9 172.2(2) 3_666 3_666
O11 Na1 O9 126.6(3) 3_666 3_666
O4 Na1 O9 86.7(3) 3_666 3_666
O4 Na1 P4 113.7(3) . 3_666
O7 Na1 P4 97.08(19) 3_666 3_666
O12 Na1 P4 29.76(16) 3_666 3_666
O11 Na1 P4 30.81(16) 3_666 3_666
O4 Na1 P4 105.1(3) 3_666 3_666
O9 Na1 P4 153.63(19) 3_666 3_666
O4 Na1 P3 112.2(3) . 3_666
O7 Na1 P3 30.19(16) 3_666 3_666
O12 Na1 P3 152.9(2) 3_666 3_666
O11 Na1 P3 97.47(19) 3_666 3_666
O4 Na1 P3 104.4(3) 3_666 3_666
O9 Na1 P3 29.98(15) 3_666 3_666
P4 Na1 P3 123.83(12) 3_666 3_666
O4 Na1 P2 118.4(2) . 3_666
O7 Na1 P2 109.5(2) 3_666 3_666
O12 Na1 P2 85.2(2) 3_666 3_666
O11 Na1 P2 111.74(19) 3_666 3_666
O4 Na1 P2 27.10(14) 3_666 3_666
O9 Na1 P2 87.4(2) 3_666 3_666
P4 Na1 P2 92.77(14) 3_666 3_666
P3 Na1 P2 92.56(14) 3_666 3_666
O4 Na1 Na1 49.61(19) . 3_666
O7 Na1 Na1 145.1(3) 3_666 3_666
O12 Na1 Na1 88.3(2) 3_666 3_666
O11 Na1 Na1 146.4(3) 3_666 3_666
O4 Na1 Na1 41.71(15) 3_666 3_666
O9 Na1 Na1 86.8(2) 3_666 3_666
P4 Na1 Na1 117.8(2) 3_666 3_666
P3 Na1 Na1 116.2(2) 3_666 3_666
P2 Na1 Na1 68.81(12) 3_666 3_666
O4 Na1 Sn4 141.4(2) . 3_666
O7 Na1 Sn4 36.88(16) 3_666 3_666
O12 Na1 Sn4 91.15(18) 3_666 3_666
O11 Na1 Sn4 36.84(16) 3_666 3_666
O4 Na1 Sn4 127.30(18) 3_666 3_666
O9 Na1 Sn4 92.53(18) 3_666 3_666
P4 Na1 Sn4 61.47(8) 3_666 3_666
P3 Na1 Sn4 62.56(9) 3_666 3_666
P2 Na1 Sn4 100.21(10) 3_666 3_666
Na1 Na1 Sn4 169.01(18) 3_666 3_666
O4 Na1 Na3 48.9(3) . .
O7 Na1 Na3 85.1(2) 3_666 .
O12 Na1 Na3 140.8(2) 3_666 .
O11 Na1 Na3 138.5(2) 3_666 .
O4 Na1 Na3 89.4(2) 3_666 .
O9 Na1 Na3 40.18(17) 3_666 .
P4 Na1 Na3 158.40(16) 3_666 .
P3 Na1 Na3 65.51(13) 3_666 .
P2 Na1 Na3 106.82(15) 3_666 .
Na1 Na1 Na3 63.56(16) 3_666 .
Sn4 Na1 Na3 121.69(15) 3_666 .
O17 Na2 O9 94.8(4) . .
O17 Na2 O12 116.6(5) . 3_666
O9 Na2 O12 83.2(2) . 3_666
O17 Na2 O18 100.8(6) . .
O9 Na2 O18 160.9(5) . .
O12 Na2 O18 79.9(5) 3_666 .
O17 Na2 O6 104.8(5) . .
O9 Na2 O6 88.0(3) . .
O12 Na2 O6 138.2(3) 3_666 .
O18 Na2 O6 98.6(5) . .
O17 Na2 C61 69.2(7) . .
O9 Na2 C61 163.2(7) . .
O12 Na2 C61 99.1(8) 3_666 .
O18 Na2 C61 32.1(5) . .
O6 Na2 C61 100.7(9) . .
O17 Na2 O4 160.5(5) . .
O9 Na2 O4 88.2(3) . .
O12 Na2 O4 82.8(3) 3_666 .
O18 Na2 O4 80.8(5) . .
O6 Na2 O4 56.0(2) . .
C61 Na2 O4 108.6(7) . .
O17 Na2 P2 131.7(4) . .
O9 Na2 P2 95.7(2) . .
O12 Na2 P2 111.4(3) 3_666 .
O18 Na2 P2 82.2(4) . .
O6 Na2 P2 29.13(18) . .
C61 Na2 P2 98.9(8) . .
O4 Na2 P2 28.85(14) . .
O17 Na2 Na3 106.6(4) . 3_666
O9 Na2 Na3 41.93(18) . 3_666
O12 Na2 Na3 41.66(18) 3_666 3_666
O18 Na2 Na3 121.6(4) . 3_666
O6 Na2 Na3 121.8(2) . 3_666
C61 Na2 Na3 136.0(9) . 3_666
O4 Na2 Na3 88.5(2) . 3_666
P2 Na2 Na3 112.50(18) . 3_666
O17 Na2 P3 85.6(4) . .
O9 Na2 P3 21.46(17) . .
O12 Na2 P3 104.6(2) 3_666 .
O18 Na2 P3 169.6(5) . .
O6 Na2 P3 71.76(18) . .
C61 Na2 P3 151.3(6) . .
O4 Na2 P3 90.42(17) . .
P2 Na2 P3 87.44(12) . .
Na3 Na2 P3 63.31(10) 3_666 .
O17 Na2 Na1 160.9(4) . .
O9 Na2 Na1 86.5(2) . .
O12 Na2 Na1 44.5(2) 3_666 .
O18 Na2 Na1 75.1(5) . .
O6 Na2 Na1 94.3(2) . .
C61 Na2 Na1 106.8(6) . .
O4 Na2 Na1 38.39(15) . .
P2 Na2 Na1 66.83(13) . .
Na3 Na2 Na1 62.53(13) 3_666 .
P3 Na2 Na1 101.42(13) . .
O17 Na2 Na1 136.0(4) . 3_666
O9 Na2 Na1 45.2(2) . 3_666
O12 Na2 Na1 81.6(2) 3_666 3_666
O18 Na2 Na1 122.5(5) . 3_666
O6 Na2 Na1 63.91(18) . 3_666
C61 Na2 Na1 151.5(7) . 3_666
O4 Na2 Na1 43.00(16) . 3_666
P2 Na2 Na1 55.59(11) . 3_666
Na3 Na2 Na1 59.34(13) 3_666 3_666
P3 Na2 Na1 50.35(10) . 3_666
Na1 Na2 Na1 54.34(11) . 3_666
O12 Na3 O9 86.7(3) . 3_666
O12 Na3 O5 84.8(3) . .
O9 Na3 O5 144.4(3) 3_666 .
O12 Na3 OW1 173.7(6) . .
O9 Na3 OW1 89.6(6) 3_666 .
O5 Na3 OW1 95.4(6) . .
O12 Na3 O4 87.7(3) . .
O9 Na3 O4 87.5(3) 3_666 .
O5 Na3 O4 57.8(2) . .
OW1 Na3 O4 87.0(6) . .
O12 Na3 P2 94.7(2) . .
O9 Na3 P2 117.0(3) 3_666 .
O5 Na3 P2 30.24(17) . .
OW1 Na3 P2 82.4(5) . .
O4 Na3 P2 30.03(15) . .
O12 Na3 C11 119.0(3) . .
O9 Na3 C11 120.0(3) 3_666 .
O5 Na3 C11 94.2(3) . .
OW1 Na3 C11 67.3(6) . .
O4 Na3 C11 140.7(3) . .
P2 Na3 C11 113.8(3) . .
O12 Na3 C12 114.6(3) . .
O9 Na3 C12 145.5(3) 3_666 .
O5 Na3 C12 67.9(3) . .
OW1 Na3 C12 71.2(6) . .
O4 Na3 C12 118.7(3) . .
P2 Na3 C12 89.3(2) . .
C11 Na3 C12 26.28(7) . .
O12 Na3 Na2 44.04(19) . 3_666
O9 Na3 Na2 43.06(18) 3_666 3_666
O5 Na3 Na2 123.2(2) . 3_666
OW1 Na3 Na2 132.6(6) . 3_666
O4 Na3 Na2 91.5(2) . 3_666
P2 Na3 Na2 116.36(18) . 3_666
C11 Na3 Na2 127.8(3) . 3_666
C12 Na3 Na2 144.6(2) . 3_666
O12 Na3 P4 19.61(17) . .
O9 Na3 P4 106.0(2) 3_666 .
O5 Na3 P4 71.04(17) . .
OW1 Na3 P4 164.3(6) . .
O4 Na3 P4 91.93(18) . .
P2 Na3 P4 88.83(12) . .
C11 Na3 P4 105.0(2) . .
C12 Na3 P4 95.9(2) . .
Na2 Na3 P4 63.01(11) 3_666 .
O12 Na3 Na1 87.3(2) . .
O9 Na3 Na1 48.7(2) 3_666 .
O5 Na3 Na1 96.4(2) . .
OW1 Na3 Na1 86.4(6) . .
O4 Na3 Na1 38.79(15) . .
P2 Na3 Na1 68.40(13) . .
C11 Na3 Na1 152.5(2) . .
C12 Na3 Na1 150.5(2) . .
Na2 Na3 Na1 64.82(13) 3_666 .
P4 Na3 Na1 102.47(13) . .
O12 Na3 Na1 43.3(2) . 3_666
O9 Na3 Na1 86.0(2) 3_666 3_666
O5 Na3 Na1 64.44(18) . 3_666
OW1 Na3 Na1 131.4(5) . 3_666
O4 Na3 Na1 44.47(17) . 3_666
P2 Na3 Na1 57.52(11) . 3_666
C11 Na3 Na1 150.5(2) . 3_666
C12 Na3 Na1 128.3(2) . 3_666
Na2 Na3 Na1 61.00(13) 3_666 3_666
P4 Na3 Na1 50.37(10) . 3_666
Na1 Na3 Na1 55.46(11) . 3_666
C30 C25 C26 123(2) . .
C30 C25 P2 123.7(18) . .
C26 C25 P2 113.6(17) . .
C25 C26 C27 115(2) . .
C28 C27 C26 118(3) . .
C29 C28 C27 124(3) . .
C28 C29 C30 119(3) . .
C25 C30 C29 120(2) . .
C30' C25' C26' 125.4(18) . .
C30' C25' P2 117.5(14) . .
C26' C25' P2 116.8(13) . .
C25' C26' C27' 112(2) . .
C28' C27' C26' 124(2) . .
C27' C28' C29' 117(2) . .
C30' C29' C28' 121(2) . .
C29' C30' C25' 119.5(19) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.3900 .
C1 C6 1.3900 .
C1 C55 1.528(11) .
C2 C3 1.3900 .
C2 H2 0.9300 .
C3 C4 1.3900 .
C3 H3 0.9300 .
C4 C5 1.3900 .
C4 H4 0.9300 .
C5 C6 1.3900 .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.3900 .
C7 C12 1.3900 .
C7 C56 1.478(14) .
C8 C9 1.3900 .
C8 H8 0.9300 .
C9 C10 1.3900 .
C9 H9 0.9300 .
C10 C11 1.3900 .
C10 H10 0.9300 .
C11 C12 1.3900 .
C11 Na3 3.045(10) .
C11 H11 0.9300 .
C12 Na3 3.069(9) .
C12 H12 0.9300 .
C13 C14 1.3900 .
C13 C18 1.3900 .
C13 C57 1.504(10) .
C14 C15 1.3900 .
C14 H14 0.9300 .
C15 C16 1.3900 .
C15 H15 0.9300 .
C16 C17 1.3900 .
C16 H16 0.9300 .
C17 C18 1.3900 .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.3900 .
C19 C24 1.3900 .
C19 C58 1.489(11) .
C20 C21 1.3900 .
C20 H20 0.9300 .
C21 C22 1.3900 .
C21 H21 0.9300 .
C22 C23 1.3900 .
C22 H22 0.9300 .
C23 C24 1.3900 .
C23 H23 0.9300 .
C24 H24 0.9300 .
C31 C32 1.3900 .
C31 C36 1.3900 .
C31 P4 1.788(6) .
C32 C33 1.3900 .
C32 H32 0.9300 .
C33 C34 1.3900 .
C33 H33 0.9300 .
C34 C35 1.3900 .
C34 H34 0.9300 .
C35 C36 1.3900 .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 C38 1.3900 .
C37 C42 1.3900 .
C37 P5 1.801(6) .
C38 C39 1.3900 .
C38 H38 0.9300 .
C39 C40 1.3900 .
C39 H39 0.9300 .
C40 C41 1.3900 .
C40 H40 0.9300 .
C41 C42 1.3900 .
C41 H41 0.9300 .
C42 H42 0.9300 .
C43 C44 1.3900 .
C43 C48 1.3900 .
C43 P3 1.801(7) .
C44 C45 1.3900 .
C44 H44 0.9300 .
C45 C46 1.3900 .
C45 H45 0.9300 .
C46 C47 1.3900 .
C46 H46 0.9300 .
C47 C48 1.3900 .
C47 H47 0.9300 .
C48 H48 0.9300 .
C49 C50 1.3900 .
C49 C54 1.3900 .
C49 P1 1.798(7) .
C50 C51 1.3900 .
C50 H50 0.9300 .
C51 C52 1.3900 .
C51 H51 0.9300 .
C52 C53 1.3900 .
C52 H52 0.9300 .
C53 C54 1.3900 .
C53 H53 0.9300 .
C54 H54 0.9300 .
C55 Sn3 2.154(11) .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C56 Sn2 2.157(10) .
C56 H56A 0.9700 .
C56 H56B 0.9700 .
C57 Sn4 2.147(8) .
C57 H57A 0.9700 .
C57 H57B 0.9700 .
C58 Sn1 2.140(8) .
C58 H58A 0.9700 .
C58 H58B 0.9700 .
C59 O16 1.426(9) .
C59 H59A 0.9600 .
C59 H59B 0.9600 .
C59 H59C 0.9600 .
C60 O17 1.294(16) .
C60 H60A 0.9600 .
C60 H60B 0.9600 .
C60 H60C 0.9600 .
C61 O18 1.457(18) .
C61 Na2 2.740(18) .
C61 H61A 0.9600 .
C61 H61B 0.9600 .
C61 H61C 0.9600 .
C62 O19 1.51(4) .
C62 H62A 0.9600 .
C62 H62B 0.9600 .
C62 H62C 0.9600 .
O1 P1 1.510(6) .
O1 Sn1 2.168(6) .
O2 P1 1.542(6) .
O2 Sn4 2.064(6) .
O3 P1 1.549(6) .
O3 Sn3 2.067(6) .
O4 P2 1.509(6) .
O4 Na1 2.205(7) .
O4 Na1 2.524(7) 3_666
O4 Na3 2.651(10) .
O4 Na2 2.757(10) .
O5 P2 1.521(7) .
O5 Sn2 2.125(6) .
O5 Na3 2.501(8) .
O6 P2 1.535(8) .
O6 Sn3 2.134(7) .
O6 Na2 2.531(8) .
O7 P3 1.537(7) .
O7 Sn4 2.124(6) .
O7 Na1 2.458(8) 3_666
O8 P3 1.533(6) .
O8 Sn3 2.071(6) .
O9 P3 1.518(6) .
O9 Na3 2.270(7) 3_666
O9 Na2 2.319(7) .
O9 Na1 2.642(9) 3_666
O10 P4 1.534(6) .
O10 Sn2 2.072(6) .
O11 P4 1.530(7) .
O11 Sn4 2.114(6) .
O11 Na1 2.510(7) 3_666
O12 P4 1.485(6) .
O12 Na3 2.255(8) .
O12 Na2 2.359(8) 3_666
O12 Na1 2.496(9) 3_666
O13 P5 1.507(6) .
O13 Sn1 2.170(6) .
O14 P5 1.519(6) .
O14 Sn2 2.083(6) .
O15 P5 1.533(6) .
O15 Sn4 2.092(6) .
O16 Sn3 2.115(8) .
O16 Sn2 2.126(7) .
O17 Na2 2.312(17) .
O17 H17A 0.9300 .
O18 Na2 2.400(16) .
O18 H18A 0.9300 .
O19 H19 0.8200 .
OW1 Na3 2.55(2) .
O20 Sn4 2.089(5) .
O20 Sn3 2.090(7) .
O20 Sn2 2.098(7) .
P2 C25 1.77(2) .
P2 C25' 1.881(16) .
P2 Na3 3.013(6) .
P2 Na2 3.127(6) .
P2 Na1 3.224(4) 3_666
P3 Na1 3.039(6) 3_666
P3 Na2 3.418(4) .
P4 Na1 2.986(6) 3_666
P4 Na3 3.403(5) .
Sn1 C58 2.140(8) 3_565
Sn1 O1 2.168(6) 3_565
Sn1 O13 2.170(6) 3_565
Sn4 Na1 3.494(3) 3_666
Na1 O7 2.458(8) 3_666
Na1 O12 2.496(9) 3_666
Na1 O11 2.510(7) 3_666
Na1 O4 2.524(7) 3_666
Na1 O9 2.642(9) 3_666
Na1 P4 2.986(6) 3_666
Na1 P3 3.039(6) 3_666
Na1 P2 3.224(4) 3_666
Na1 Na1 3.313(6) 3_666
Na1 Sn4 3.494(3) 3_666
Na1 Na3 3.517(6) .
Na2 O12 2.359(8) 3_666
Na2 Na3 3.384(5) 3_666
Na2 Na1 3.700(6) 3_666
Na3 O9 2.270(7) 3_666
Na3 Na2 3.384(5) 3_666
Na3 Na1 3.601(6) 3_666
C25 C30 1.37(3) .
C25 C26 1.45(3) .
C26 C27 1.52(4) .
C27 C28 1.43(5) .
C28 C29 1.34(4) .
C29 C30 1.46(3) .
C25' C30' 1.40(3) .
C25' C26' 1.40(3) .
C26' C27' 1.50(3) .
C27' C28' 1.41(3) .
C28' C29' 1.42(3) .
C29' C30' 1.40(3) .
