#------------------------------------------------------------------------------
#$Date: 2020-02-04 22:09:04 +0200 (Tue, 04 Feb 2020) $
#$Revision: 247614 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/56/7125686.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_7125686
loop_
_publ_author_name
'Zhu, Yu'
'Zhang, Jian'
'Zhang, Lei'
_publ_section_title
;
 A core-shell type alkyl-Sn-oxo cluster of
 {Sn₁₄As₁₆} bridged by 4-aminophenylarsonate ligands
 and incorporated with a {Na₆} cluster.
;
_journal_issue                   9
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1433
_journal_page_last               1435
_journal_paper_doi               10.1039/c9cc08293j
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C152 H254 As16 N16 Na6 O72 Sn14'
_chemical_formula_weight         6456.02
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-11-28 deposited with the CCDC.	2019-12-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.404(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   28.003(3)
_cell_length_b                   38.235(4)
_cell_length_c                   26.324(3)
_cell_measurement_reflns_used    34227
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4855
_cell_measurement_theta_min      2.0739
_cell_volume                     27806(5)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  MM007-Saturn724+
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_av_unetI/netI     0.0476
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            111284
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.488
_diffrn_reflns_theta_min         2.131
_exptl_absorpt_coefficient_mu    3.198
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.27541
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.542
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             12592
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.1500
_exptl_crystal_size_min          0.1000
_refine_diff_density_max         1.599
_refine_diff_density_min         -1.369
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1383
_refine_ls_number_reflns         31728
_refine_ls_number_restraints     1168
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0615
_refine_ls_R_factor_gt           0.0535
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0676P)²+135.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1377
_refine_ls_wR_factor_ref         0.1433
_reflns_Friedel_coverage         0.000
_reflns_number_gt                28007
_reflns_number_total             31728
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9cc08293j2.cif
_cod_data_source_block           1_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7125686.cif.
;
_cod_original_cell_volume        27807(5)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7125686
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.81260(2) 0.75517(2) 0.33853(2) 0.03939(9) Uani 1 1 d . . . . .
Sn2 Sn 0.71944(2) 0.75509(2) 0.15341(2) 0.03882(9) Uani 1 1 d . . . . .
Sn3 Sn 0.70753(2) 0.69436(2) 0.27502(2) 0.04029(9) Uani 1 1 d D . . . .
Sn4 Sn 0.72176(2) 0.61675(2) 0.00338(2) 0.04343(9) Uani 1 1 d . . . . .
Sn5 Sn 0.82396(2) 0.67464(2) 0.29695(2) 0.04068(9) Uani 1 1 d . . . . .
Sn6 Sn 0.82883(2) 0.62116(2) -0.04243(2) 0.04671(10) Uani 1 1 d . . . . .
Sn7 Sn 0.84540(2) 0.58690(2) 0.07464(2) 0.04731(10) Uani 1 1 d D . . . .
As1 As 0.83929(2) 0.74174(2) 0.21787(2) 0.03866(12) Uani 1 1 d . . . . .
As2 As 0.69976(2) 0.70196(2) 0.04344(2) 0.04232(13) Uani 1 1 d . . . . .
As3 As 0.70483(2) 0.78181(2) 0.27508(2) 0.04190(13) Uani 1 1 d . . . . .
As4 As 0.76643(2) 0.68839(2) 0.39396(2) 0.04440(13) Uani 1 1 d . . . . .
As5 As 0.87454(2) 0.67297(2) 0.05810(2) 0.04284(13) Uani 1 1 d . . . . .
As6 As 0.74507(2) 0.60088(2) 0.13384(2) 0.04790(14) Uani 1 1 d D . . . .
As7 As 0.72789(2) 0.66612(2) -0.11482(2) 0.04868(14) Uani 1 1 d . . . . .
As8 As 0.78040(3) 0.54545(2) -0.02343(3) 0.05466(16) Uani 1 1 d . . . . .
Na1 Na 0.82700(11) 0.76315(6) 0.08829(9) 0.0622(7) Uani 1 1 d . . . . .
Na2 Na 0.80012(9) 0.67963(6) 0.13287(10) 0.0550(6) Uani 1 1 d . . . . .
Na3 Na 0.71265(9) 0.78993(6) 0.01427(9) 0.0526(6) Uani 1 1 d . . . . .
O4 O 0.71446(14) 0.70899(10) 0.19787(13) 0.0425(8) Uani 1 1 d . . . . .
O5 O 0.73218(14) 0.71774(10) 0.09882(13) 0.0433(8) Uani 1 1 d . . . . .
O6 O 0.83692(14) 0.69813(10) 0.22749(14) 0.0428(8) Uani 1 1 d . . . . .
O7 O 0.86738(13) 0.71427(10) 0.33926(15) 0.0454(9) Uani 1 1 d . . . . .
O8 O 0.84791(15) 0.70752(10) 0.07874(15) 0.0497(9) Uani 1 1 d . . . . .
O9 O 0.75186(13) 0.78801(10) 0.32360(14) 0.0441(9) Uani 1 1 d . . . . .
O10 O 0.78759(15) 0.72974(11) 0.40042(14) 0.0484(9) Uani 1 1 d . . . . .
O11 O 0.79518(14) 0.75122(11) 0.16751(14) 0.0462(9) Uani 1 1 d . . . . .
O12 O 0.77539(12) 0.71573(9) 0.29639(13) 0.0373(7) Uani 1 1 d . . . . .
O13 O 0.71245(14) 0.68467(11) 0.35487(15) 0.0505(10) Uani 1 1 d . . . . .
O14 O 0.83571(13) 0.76776(10) 0.26850(14) 0.0425(8) Uani 1 1 d . . . . .
O15 O 0.67721(14) 0.74357(10) 0.28188(15) 0.0475(9) Uani 1 1 d . . . . .
O16 O 0.72659(15) 0.78463(10) 0.21968(14) 0.0471(9) Uani 1 1 d . . . . .
O17 O 0.76593(16) 0.70109(10) -0.10789(14) 0.0505(10) Uani 1 1 d . . . . .
O18 O 0.79428(14) 0.61131(9) 0.02037(14) 0.0445(8) Uani 1 1 d . . . . .
O19 O 0.75685(14) 0.65217(10) 0.26481(14) 0.0439(8) Uani 1 1 d . . . . .
O20 O 0.84976(14) 0.66785(10) -0.00535(14) 0.0465(9) Uani 1 1 d . . . . .
O21 O 0.75427(15) 0.63771(10) -0.06580(14) 0.0473(9) Uani 1 1 d . . . . .
O22 O 0.74876(16) 0.63999(11) 0.16238(15) 0.0529(10) Uani 1 1 d . . . . .
O23 O 0.73507(15) 0.66851(10) 0.03044(16) 0.0519(10) Uani 1 1 d . . . . .
O24 O 0.80005(16) 0.58478(12) 0.12927(17) 0.0589(11) Uani 1 1 d . . . . .
O25 O 0.71021(16) 0.60188(11) 0.07510(16) 0.0552(10) Uani 1 1 d . . . . .
O26 O 0.80604(15) 0.66133(11) 0.37083(14) 0.0489(9) Uani 1 1 d . . . . .
O27 O 0.72594(16) 0.56289(10) -0.01915(17) 0.0579(11) Uani 1 1 d . . . . .
O28 O 0.88441(15) 0.59713(11) 0.01127(16) 0.0545(10) Uani 1 1 d . . . . .
O29 O 0.80791(17) 0.56988(11) -0.06393(16) 0.0567(11) Uani 1 1 d . . . . .
O30 O 0.86517(15) 0.63877(11) 0.09622(15) 0.0500(9) Uani 1 1 d . . . . .
O31 O 0.6970(2) 0.73186(12) -0.00249(17) 0.0684(13) Uani 1 1 d . . . . .
O32 O 0.67385(17) 0.67842(12) -0.10608(19) 0.0650(12) Uani 1 1 d . . . . .
O33 O 0.81627(18) 0.54091(11) 0.03429(17) 0.0609(11) Uani 1 1 d . . . . .
N1 N 0.5583(4) 0.8995(3) 0.2767(5) 0.160(5) Uani 1 1 d . . . . .
N2 N 0.7471(3) 0.64415(19) 0.6117(2) 0.082(2) Uani 1 1 d . . . . .
N3 N 1.0923(2) 0.68767(19) 0.0596(2) 0.0725(17) Uani 1 1 d . . . . .
N4 N 1.0412(3) 0.7673(3) 0.1699(5) 0.160(5) Uani 1 1 d . U . . .
N5 N 0.4994(4) 0.6553(4) 0.0800(6) 0.202(7) Uani 1 1 d . . . . .
N6 N 0.7577(4) 0.40985(19) -0.1446(3) 0.117(3) Uani 1 1 d . . . . .
N7 N 0.7081(5) 0.5790(3) -0.3120(3) 0.150(4) Uani 1 1 d . . . . .
C1 C 0.8552(2) 0.79354(18) 0.3839(2) 0.0608(17) Uani 1 1 d D . . . .
H1A H 0.878955 0.802578 0.364267 0.073 Uiso 1 1 calc R U . . .
H1B H 0.834290 0.812818 0.389881 0.073 Uiso 1 1 calc R U . . .
C2 C 0.8806(4) 0.7811(3) 0.4339(4) 0.115(4) Uani 1 1 d D . . . .
H2A H 0.901180 0.761515 0.428279 0.138 Uiso 1 1 calc R U . . .
H2B H 0.857055 0.772823 0.454270 0.138 Uiso 1 1 calc R U . . .
C3 C 0.9114(5) 0.8093(4) 0.4636(5) 0.157(5) Uani 1 1 d D U . . .
H3A H 0.928471 0.799286 0.495261 0.188 Uiso 1 1 calc R U . . .
H3B H 0.935383 0.817102 0.443384 0.188 Uiso 1 1 calc R U . . .
C4 C 0.8839(7) 0.8394(4) 0.4762(8) 0.259(10) Uani 1 1 d D U . . .
H4A H 0.905475 0.856201 0.494927 0.388 Uiso 1 1 calc R U . . .
H4B H 0.867457 0.849939 0.445054 0.388 Uiso 1 1 calc R U . . .
H4C H 0.860538 0.832105 0.496982 0.388 Uiso 1 1 calc R U . . .
C5 C 0.6433(2) 0.7651(2) 0.1286(3) 0.0641(18) Uani 1 1 d D . . . .
H5A H 0.638774 0.790210 0.127728 0.077 Uiso 1 1 calc R U . . .
H5B H 0.635004 0.756719 0.093486 0.077 Uiso 1 1 calc R U . . .
C6 C 0.6079(3) 0.7501(3) 0.1584(4) 0.113(4) Uani 1 1 d D . . . .
H6A H 0.609101 0.724769 0.156099 0.135 Uiso 1 1 calc R U . . .
H6B H 0.617299 0.756423 0.194299 0.135 Uiso 1 1 calc R U . . .
C7 C 0.5571(3) 0.7619(3) 0.1405(5) 0.119(4) Uani 1 1 d D . . . .
H7A H 0.555836 0.787225 0.142072 0.143 Uiso 1 1 calc R U . . .
H7B H 0.547170 0.754941 0.104941 0.143 Uiso 1 1 calc R U . . .
C8 C 0.5232(5) 0.7470(5) 0.1721(7) 0.221(8) Uani 1 1 d D U . . .
H8A H 0.491052 0.755229 0.159508 0.332 Uiso 1 1 calc R U . . .
H8B H 0.523923 0.721983 0.170173 0.332 Uiso 1 1 calc R U . . .
H8C H 0.532584 0.754249 0.207282 0.332 Uiso 1 1 calc R U . . .
C9 C 0.6407(5) 0.6665(5) 0.2549(7) 0.059(3) Uani 0.543(10) 1 d D U P A 1
H9A H 0.633312 0.665122 0.217692 0.071 Uiso 0.543(10) 1 calc R U P A 1
H9B H 0.645689 0.642745 0.267750 0.071 Uiso 0.543(10) 1 calc R U P A 1
C10 C 0.5968(6) 0.6811(6) 0.2742(10) 0.150(6) Uani 0.543(10) 1 d D U P A 1
H10A H 0.605090 0.686045 0.310692 0.180 Uiso 0.543(10) 1 calc R U P A 1
H10B H 0.587402 0.702868 0.256527 0.180 Uiso 0.543(10) 1 calc R U P A 1
C11 C 0.5545(6) 0.6557(7) 0.2654(10) 0.159(6) Uani 0.543(10) 1 d D U P A 1
H11A H 0.553714 0.642487 0.233825 0.191 Uiso 0.543(10) 1 calc R U P A 1
H11B H 0.523790 0.667649 0.264676 0.191 Uiso 0.543(10) 1 calc R U P A 1
C12 C 0.5676(14) 0.6313(9) 0.3156(13) 0.246(11) Uani 0.543(10) 1 d D U P A 1
H12A H 0.543245 0.613628 0.315156 0.369 Uiso 0.543(10) 1 calc R U P A 1
H12B H 0.598482 0.620486 0.315455 0.369 Uiso 0.543(10) 1 calc R U P A 1
H12C H 0.568871 0.645386 0.345984 0.369 Uiso 0.543(10) 1 calc R U P A 1
C9B C 0.6438(10) 0.6642(9) 0.2513(13) 0.113(7) Uani 0.457(10) 1 d D U P A 2
H9BA H 0.616371 0.680054 0.247727 0.135 Uiso 0.457(10) 1 calc R U P A 2
H9BB H 0.645423 0.654996 0.217337 0.135 Uiso 0.457(10) 1 calc R U P A 2
C10B C 0.6328(9) 0.6343(7) 0.2841(10) 0.142(6) Uani 0.457(10) 1 d D U P A 2
H10C H 0.629915 0.642699 0.318277 0.170 Uiso 0.457(10) 1 calc R U P A 2
H10D H 0.658949 0.617396 0.287434 0.170 Uiso 0.457(10) 1 calc R U P A 2
C11B C 0.5855(9) 0.6171(7) 0.2593(12) 0.157(7) Uani 0.457(10) 1 d D U P A 2
H11C H 0.557938 0.631261 0.264553 0.188 Uiso 0.457(10) 1 calc R U P A 2
H11D H 0.584754 0.614020 0.222627 0.188 Uiso 0.457(10) 1 calc R U P A 2
C12B C 0.5844(14) 0.5815(8) 0.2863(16) 0.234(12) Uani 0.457(10) 1 d D U P A 2
H12D H 0.555210 0.569248 0.272244 0.351 Uiso 0.457(10) 1 calc R U P A 2
H12E H 0.611909 0.567872 0.280828 0.351 Uiso 0.457(10) 1 calc R U P A 2
H12F H 0.585254 0.585010 0.322502 0.351 Uiso 0.457(10) 1 calc R U P A 2
C13 C 0.6478(2) 0.61820(18) -0.0342(3) 0.0632(17) Uani 1 1 d D . . . .
H13A H 0.635961 0.641984 -0.033102 0.076 Uiso 0.547(9) 1 calc R U P B 1
H13B H 0.646578 0.611905 -0.070041 0.076 Uiso 0.547(9) 1 calc R U P B 1
H13C H 0.627193 0.610931 -0.009843 0.076 Uiso 0.453(9) 1 calc R U P B 2
H13D H 0.639391 0.642124 -0.044113 0.076 Uiso 0.453(9) 1 calc R U P B 2
C14 C 0.6143(6) 0.5941(6) -0.0107(8) 0.137(6) Uani 0.547(9) 1 d D U P B 1
H14A H 0.612361 0.601629 0.024142 0.164 Uiso 0.547(9) 1 calc R U P B 1
H14B H 0.626925 0.570433 -0.009077 0.164 Uiso 0.547(9) 1 calc R U P B 1
C15 C 0.5638(6) 0.5948(7) -0.0434(9) 0.160(6) Uani 0.547(9) 1 d D U P B 1
H15A H 0.563198 0.581146 -0.074533 0.192 Uiso 0.547(9) 1 calc R U P B 1
H15B H 0.554209 0.618623 -0.052860 0.192 Uiso 0.547(9) 1 calc R U P B 1
C16 C 0.5301(8) 0.5787(9) -0.0089(11) 0.213(10) Uani 0.547(9) 1 d D U P B 1
H16A H 0.497480 0.578362 -0.027187 0.319 Uiso 0.547(9) 1 calc R U P B 1
H16B H 0.540312 0.555270 0.000281 0.319 Uiso 0.547(9) 1 calc R U P B 1
H16C H 0.531379 0.592509 0.021816 0.319 Uiso 0.547(9) 1 calc R U P B 1
C14B C 0.6376(9) 0.5949(7) -0.0818(8) 0.159(7) Uani 0.453(9) 1 d D U P B 2
H14C H 0.637928 0.570586 -0.071373 0.191 Uiso 0.453(9) 1 calc R U P B 2
H14D H 0.662660 0.598232 -0.102755 0.191 Uiso 0.453(9) 1 calc R U P B 2
C15B C 0.5884(8) 0.6038(9) -0.1134(9) 0.175(7) Uani 0.453(9) 1 d D U P B 2
H15C H 0.577771 0.626730 -0.104226 0.210 Uiso 0.453(9) 1 calc R U P B 2
H15D H 0.564370 0.586638 -0.107591 0.210 Uiso 0.453(9) 1 calc R U P B 2
C16B C 0.5966(12) 0.6031(11) -0.1723(9) 0.199(11) Uani 0.453(9) 1 d D U P B 2
H16D H 0.566738 0.608513 -0.194373 0.298 Uiso 0.453(9) 1 calc R U P B 2
H16E H 0.620664 0.620100 -0.177239 0.298 Uiso 0.453(9) 1 calc R U P B 2
H16F H 0.607344 0.580252 -0.180583 0.298 Uiso 0.453(9) 1 calc R U P B 2
C17 C 0.8731(3) 0.63249(19) 0.2932(3) 0.072(2) Uani 1 1 d D . . . .
H17A H 0.881196 0.621882 0.326983 0.086 Uiso 0.5 1 calc R U P C -1
H17B H 0.857557 0.614844 0.269674 0.086 Uiso 0.5 1 calc R U P C -1
H17C H 0.887717 0.636482 0.262715 0.086 Uiso 0.5 1 calc R U P D -2
H17D H 0.898804 0.635232 0.322486 0.086 Uiso 0.5 1 calc R U P D -2
C18 C 0.9193(8) 0.6445(7) 0.2753(14) 0.190(8) Uani 0.5 1 d D U P E -1
H18A H 0.911501 0.655356 0.241681 0.227 Uiso 0.5 1 calc R U P E -1
H18B H 0.935585 0.661623 0.299189 0.227 Uiso 0.5 1 calc R U P E -1
C19 C 0.9518(8) 0.6137(7) 0.2724(15) 0.208(8) Uani 0.5 1 d D U P E -1
H19A H 0.938305 0.598105 0.244622 0.249 Uiso 0.5 1 calc R U P E -1
H19B H 0.956476 0.600664 0.304479 0.249 Uiso 0.5 1 calc R U P E -1
C20 C 1.0011(10) 0.6298(7) 0.2620(18) 0.196(11) Uani 0.5 1 d D U P E -1
H20A H 1.023873 0.611292 0.259712 0.295 Uiso 0.5 1 calc R U P E -1
H20B H 0.995708 0.642628 0.230300 0.295 Uiso 0.5 1 calc R U P E -1
H20C H 1.013763 0.645170 0.289776 0.295 Uiso 0.5 1 calc R U P E -1
C18B C 0.8590(9) 0.5951(5) 0.2920(15) 0.218(9) Uani 0.5 1 d D U P E -2
H18C H 0.846397 0.588085 0.256995 0.261 Uiso 0.5 1 calc R U P E -2
H18D H 0.833910 0.591507 0.312926 0.261 Uiso 0.5 1 calc R U P E -2
C19B C 0.9053(13) 0.5727(6) 0.3138(12) 0.215(8) Uani 0.5 1 d D U P E -2
H19C H 0.933730 0.587274 0.323154 0.258 Uiso 0.5 1 calc R U P E -2
H19D H 0.900285 0.558828 0.343399 0.258 Uiso 0.5 1 calc R U P E -2
C20B C 0.9094(14) 0.5499(9) 0.2678(14) 0.248(12) Uani 0.5 1 d D U P E -2
H20D H 0.936731 0.534553 0.275928 0.371 Uiso 0.5 1 calc R U P E -2
H20E H 0.880434 0.536200 0.259081 0.371 Uiso 0.5 1 calc R U P E -2
H20F H 0.913546 0.564363 0.239038 0.371 Uiso 0.5 1 calc R U P E -2
C21 C 0.8598(3) 0.6319(3) -0.1101(3) 0.086(2) Uani 1 1 d D U . . .
H21A H 0.851970 0.612040 -0.132913 0.103 Uiso 0.367(12) 1 calc R U P F 1
H21B H 0.842238 0.651714 -0.126871 0.103 Uiso 0.367(12) 1 calc R U P F 1
H21C H 0.854969 0.612304 -0.133838 0.103 Uiso 0.633(12) 1 calc R U P F 2
H21D H 0.845346 0.652597 -0.127535 0.103 Uiso 0.633(12) 1 calc R U P F 2
C22 C 0.9132(7) 0.6395(8) -0.1093(13) 0.124(5) Uani 0.367(12) 1 d D U P F 1
H22A H 0.918801 0.646289 -0.143396 0.148 Uiso 0.367(12) 1 calc R U P F 1
H22B H 0.923666 0.658504 -0.085677 0.148 Uiso 0.367(12) 1 calc R U P F 1
C23 C 0.9406(8) 0.6074(9) -0.0926(12) 0.136(6) Uani 0.367(12) 1 d D U P F 1
H23A H 0.920391 0.587166 -0.102963 0.163 Uiso 0.367(12) 1 calc R U P F 1
H23B H 0.948494 0.607218 -0.055304 0.163 Uiso 0.367(12) 1 calc R U P F 1
C24 C 0.9865(11) 0.6044(11) -0.1149(16) 0.168(9) Uani 0.367(12) 1 d D U P F 1
H24A H 1.002999 0.583155 -0.102947 0.252 Uiso 0.367(12) 1 calc R U P F 1
H24B H 0.978893 0.603985 -0.151759 0.252 Uiso 0.367(12) 1 calc R U P F 1
H24C H 1.006991 0.624034 -0.104109 0.252 Uiso 0.367(12) 1 calc R U P F 1
C22B C 0.9132(5) 0.6376(7) -0.0910(7) 0.130(5) Uani 0.633(12) 1 d D U P F 2
H22C H 0.916810 0.659841 -0.073018 0.156 Uiso 0.633(12) 1 calc R U P F 2
H22D H 0.924120 0.619538 -0.065927 0.156 Uiso 0.633(12) 1 calc R U P F 2
C23B C 0.9455(5) 0.6377(7) -0.1293(7) 0.146(5) Uani 0.633(12) 1 d D U P F 2
H23C H 0.936431 0.655803 -0.154829 0.175 Uiso 0.633(12) 1 calc R U P F 2
H23D H 0.944881 0.615235 -0.146617 0.175 Uiso 0.633(12) 1 calc R U P F 2
C24B C 0.9974(6) 0.6451(7) -0.0970(9) 0.173(7) Uani 0.633(12) 1 d D U P F 2
H24D H 1.020957 0.645596 -0.119708 0.260 Uiso 0.633(12) 1 calc R U P F 2
H24E H 0.997091 0.667320 -0.079998 0.260 Uiso 0.633(12) 1 calc R U P F 2
H24F H 1.005483 0.627033 -0.071842 0.260 Uiso 0.633(12) 1 calc R U P F 2
C25 C 0.9033(8) 0.5620(5) 0.1248(10) 0.092(4) Uani 0.620(14) 1 d D U P G 1
H25A H 0.926580 0.580089 0.137559 0.111 Uiso 0.620(14) 1 calc R U P G 1
H25B H 0.890141 0.553325 0.154224 0.111 Uiso 0.620(14) 1 calc R U P G 1
C26 C 0.9302(8) 0.5334(5) 0.1062(8) 0.139(6) Uani 0.620(14) 1 d D U P G 1
H26A H 0.943511 0.541218 0.076309 0.167 Uiso 0.620(14) 1 calc R U P G 1
H26B H 0.908361 0.514150 0.095623 0.167 Uiso 0.620(14) 1 calc R U P G 1
C27 C 0.9718(8) 0.5207(6) 0.1480(10) 0.168(7) Uani 0.620(14) 1 d D U P G 1
H27A H 1.001139 0.533767 0.146327 0.201 Uiso 0.620(14) 1 calc R U P G 1
H27B H 0.963223 0.523637 0.181998 0.201 Uiso 0.620(14) 1 calc R U P G 1
C28 C 0.9789(11) 0.4821(6) 0.1368(12) 0.229(11) Uani 0.620(14) 1 d D U P G 1
H28A H 1.004534 0.472843 0.161890 0.343 Uiso 0.620(14) 1 calc R U P G 1
H28B H 0.949518 0.469611 0.138517 0.343 Uiso 0.620(14) 1 calc R U P G 1
H28C H 0.987225 0.479684 0.103043 0.343 Uiso 0.620(14) 1 calc R U P G 1
C25B C 0.9048(15) 0.5609(8) 0.123(2) 0.118(7) Uani 0.380(14) 1 d D U P G 2
H25C H 0.933775 0.564330 0.107334 0.141 Uiso 0.380(14) 1 calc R U P G 2
H25D H 0.910160 0.572247 0.155938 0.141 Uiso 0.380(14) 1 calc R U P G 2
C26B C 0.8991(12) 0.5224(7) 0.1309(14) 0.149(7) Uani 0.380(14) 1 d D U P G 2
H26C H 0.890296 0.510838 0.097876 0.179 Uiso 0.380(14) 1 calc R U P G 2
H26D H 0.873122 0.518597 0.150608 0.179 Uiso 0.380(14) 1 calc R U P G 2
C27B C 0.9455(13) 0.5066(9) 0.1594(13) 0.152(8) Uani 0.380(14) 1 d D U P G 2
H27C H 0.947797 0.482175 0.150013 0.182 Uiso 0.380(14) 1 calc R U P G 2
H27D H 0.973290 0.518897 0.150538 0.182 Uiso 0.380(14) 1 calc R U P G 2
C28B C 0.9444(15) 0.5098(12) 0.2163(12) 0.202(12) Uani 0.380(14) 1 d D U P G 2
H28D H 0.973498 0.500015 0.235317 0.303 Uiso 0.380(14) 1 calc R U P G 2
H28E H 0.942253 0.534084 0.225135 0.303 Uiso 0.380(14) 1 calc R U P G 2
H28F H 0.916865 0.497513 0.224613 0.303 Uiso 0.380(14) 1 calc R U P G 2
C49 C 0.6586(2) 0.81771(17) 0.2768(2) 0.0531(14) Uani 1 1 d . . . . .
C50 C 0.6695(3) 0.8508(2) 0.2647(3) 0.077(2) Uani 1 1 d . . . . .
H50A H 0.699943 0.855638 0.256567 0.092 Uiso 1 1 calc R U . . .
C51 C 0.6364(3) 0.8777(2) 0.2643(4) 0.090(3) Uani 1 1 d . . . . .
H51A H 0.644358 0.900344 0.255687 0.108 Uiso 1 1 calc R U . . .
C52 C 0.5922(4) 0.8708(3) 0.2765(5) 0.106(3) Uani 1 1 d . . . . .
C53 C 0.5810(4) 0.8370(3) 0.2879(5) 0.131(5) Uani 1 1 d . . . . .
H53A H 0.550594 0.832126 0.296013 0.157 Uiso 1 1 calc R U . . .
C54 C 0.6130(3) 0.8107(3) 0.2878(4) 0.102(3) Uani 1 1 d . . . . .
H54A H 0.604433 0.788011 0.295020 0.123 Uiso 1 1 calc R U . . .
C55 C 0.7598(2) 0.67432(17) 0.4612(2) 0.0507(14) Uani 1 1 d . . . . .
C56 C 0.7633(3) 0.69825(19) 0.5006(3) 0.0685(19) Uani 1 1 d . . . . .
H56A H 0.769195 0.721600 0.493881 0.082 Uiso 1 1 calc R U . . .
C57 C 0.7583(3) 0.68842(19) 0.5499(2) 0.069(2) Uani 1 1 d . . . . .
H57A H 0.760209 0.705255 0.575702 0.082 Uiso 1 1 calc R U . . .
C58 C 0.7508(3) 0.65476(19) 0.5611(2) 0.0623(17) Uani 1 1 d . . . . .
C59 C 0.7446(4) 0.6299(2) 0.5216(3) 0.089(3) Uani 1 1 d . . . . .
H59A H 0.737808 0.606808 0.528690 0.107 Uiso 1 1 calc R U . . .
C60 C 0.7486(3) 0.6399(2) 0.4711(3) 0.079(2) Uani 1 1 d . . . . .
H60A H 0.743717 0.623628 0.444516 0.095 Uiso 1 1 calc R U . . .
C61 C 0.9002(2) 0.74996(17) 0.1976(3) 0.0569(16) Uani 1 1 d . . . . .
C62 C 0.9295(2) 0.72336(19) 0.1883(3) 0.0623(17) Uani 1 1 d . . . . .
H62A H 0.918455 0.700490 0.189706 0.075 Uiso 1 1 calc R U . . .
C63 C 0.9752(2) 0.7291(2) 0.1767(3) 0.0679(19) Uani 1 1 d . . . . .
H63A H 0.993221 0.710273 0.167934 0.081 Uiso 1 1 calc R U . . .
C64 C 0.9939(3) 0.7609(3) 0.1778(5) 0.107(3) Uani 1 1 d . U . . .
C65 C 0.9614(5) 0.7881(4) 0.1791(7) 0.168(5) Uani 1 1 d . U . . .
H65A H 0.971929 0.810799 0.174602 0.201 Uiso 1 1 calc R U . . .
C66 C 0.9125(4) 0.7829(3) 0.1869(6) 0.137(4) Uani 1 1 d . U . . .
H66A H 0.890492 0.801294 0.184780 0.164 Uiso 1 1 calc R U . . .
C67 C 0.9424(2) 0.67781(15) 0.0602(2) 0.0461(13) Uani 1 1 d . . . . .
C68 C 0.9742(2) 0.6533(2) 0.0830(3) 0.069(2) Uani 1 1 d . . . . .
H68A H 0.962668 0.634294 0.099315 0.083 Uiso 1 1 calc R U . . .
C69 C 1.0226(3) 0.6561(2) 0.0824(3) 0.072(2) Uani 1 1 d . . . . .
H69A H 1.043565 0.639239 0.098863 0.087 Uiso 1 1 calc R U . . .
C70 C 1.0408(2) 0.6834(2) 0.0580(2) 0.0578(16) Uani 1 1 d . . . . .
C71 C 1.0095(3) 0.7080(2) 0.0346(3) 0.082(2) Uani 1 1 d . . . . .
H71A H 1.021226 0.726661 0.017600 0.098 Uiso 1 1 calc R U . . .
C72 C 0.9604(2) 0.7054(2) 0.0358(3) 0.074(2) Uani 1 1 d . . . . .
H72A H 0.939405 0.722474 0.020029 0.089 Uiso 1 1 calc R U . . .
C73 C 0.6372(2) 0.68705(18) 0.0536(3) 0.0594(16) Uani 1 1 d . . . . .
C74 C 0.6314(3) 0.6642(2) 0.0924(3) 0.074(2) Uani 1 1 d . . . . .
H74A H 0.658444 0.655639 0.114094 0.089 Uiso 1 1 calc R U . . .
C75 C 0.5860(4) 0.6539(3) 0.0991(4) 0.102(3) Uani 1 1 d . . . . .
H75A H 0.582726 0.637694 0.124719 0.122 Uiso 1 1 calc R U . . .
C76 C 0.5465(4) 0.6665(4) 0.0701(6) 0.133(5) Uani 1 1 d . . . . .
C77 C 0.5521(4) 0.6890(4) 0.0309(6) 0.144(5) Uani 1 1 d . . . . .
H77A H 0.524732 0.697538 0.009687 0.173 Uiso 1 1 calc R U . . .
C78 C 0.5968(3) 0.6993(3) 0.0223(4) 0.100(3) Uani 1 1 d . . . . .
H78A H 0.599759 0.714461 -0.004571 0.120 Uiso 1 1 calc R U . . .
C79 C 0.7704(3) 0.50135(17) -0.0562(3) 0.0625(17) Uani 1 1 d . . . . .
C80 C 0.8017(3) 0.47355(19) -0.0432(3) 0.073(2) Uani 1 1 d . . . . .
H80A H 0.826133 0.475118 -0.014778 0.088 Uiso 1 1 calc R U . . .
C81 C 0.7963(3) 0.44340(18) -0.0727(3) 0.079(2) Uani 1 1 d . . . . .
H81A H 0.816871 0.424580 -0.063172 0.094 Uiso 1 1 calc R U . . .
C82 C 0.7621(3) 0.44061(17) -0.1149(3) 0.075(2) Uani 1 1 d . . . . .
C83 C 0.7291(5) 0.4677(2) -0.1271(4) 0.133(5) Uani 1 1 d . . . . .
H83A H 0.703568 0.465476 -0.154361 0.160 Uiso 1 1 calc R U . . .
C84 C 0.7348(4) 0.4980(2) -0.0977(4) 0.116(4) Uani 1 1 d . . . . .
H84A H 0.713695 0.516594 -0.106656 0.139 Uiso 1 1 calc R U . . .
C85 C 0.7257(2) 0.63920(17) -0.1763(2) 0.0537(15) Uani 1 1 d . . . . .
C86 C 0.7417(3) 0.60545(19) -0.1747(3) 0.074(2) Uani 1 1 d . . . . .
H86A H 0.755912 0.595676 -0.143564 0.088 Uiso 1 1 calc R U . . .
C87 C 0.7368(4) 0.5857(2) -0.2192(3) 0.096(3) Uani 1 1 d . . . . .
H87A H 0.748907 0.563048 -0.217658 0.115 Uiso 1 1 calc R U . . .
C88 C 0.7141(4) 0.5990(3) -0.2664(3) 0.100(3) Uani 1 1 d . . . . .
C89 C 0.6975(4) 0.6335(2) -0.2671(3) 0.085(3) Uani 1 1 d . . . . .
H89A H 0.682699 0.643307 -0.298081 0.102 Uiso 1 1 calc R U . . .
C90 C 0.7026(3) 0.65337(19) -0.2227(3) 0.0655(18) Uani 1 1 d . . . . .
H90A H 0.690608 0.676101 -0.223774 0.079 Uiso 1 1 calc R U . . .
C97 C 0.71508(13) 0.56751(11) 0.17072(14) 0.080(2) Uani 1 1 d D U . . .
C100 C 0.6705(3) 0.51779(18) 0.2256(3) 0.119(3) Uani 1 1 d D U . . .
N8 N 0.6482(3) 0.4928(2) 0.2532(3) 0.160(4) Uani 1 1 d D U . . .
C98 C 0.7446(5) 0.5464(3) 0.2083(5) 0.117(4) Uani 0.549(7) 1 d D U P H 1
H98A H 0.778076 0.548922 0.214600 0.140 Uiso 0.549(7) 1 calc R U P H 1
C99 C 0.7217(5) 0.5220(3) 0.2350(5) 0.123(4) Uani 0.549(7) 1 d D U P H 1
H99A H 0.740284 0.508030 0.259661 0.148 Uiso 0.549(7) 1 calc R U P H 1
C101 C 0.6428(5) 0.5380(3) 0.1900(5) 0.133(4) Uani 0.549(7) 1 d D U P H 1
H10E H 0.609376 0.535484 0.183773 0.160 Uiso 0.549(7) 1 calc R U P H 1
C102 C 0.6655(4) 0.5630(3) 0.1624(5) 0.131(4) Uani 0.549(7) 1 d D U P H 1
H10F H 0.646526 0.576844 0.137960 0.157 Uiso 0.549(7) 1 calc R U P H 1
C98B C 0.6934(5) 0.5776(4) 0.2128(5) 0.114(4) Uani 0.451(7) 1 d D U P H 2
H98B H 0.693886 0.600988 0.222672 0.136 Uiso 0.451(7) 1 calc R U P H 2
C99B C 0.6710(5) 0.5528(4) 0.2400(6) 0.121(4) Uani 0.451(7) 1 d D U P H 2
H99B H 0.656513 0.559750 0.267746 0.145 Uiso 0.451(7) 1 calc R U P H 2
C11D C 0.6919(5) 0.5077(4) 0.1836(6) 0.129(4) Uani 0.451(7) 1 d D U P H 2
H11E H 0.691305 0.484325 0.173848 0.155 Uiso 0.451(7) 1 calc R U P H 2
C12D C 0.7145(5) 0.5325(3) 0.1558(6) 0.124(4) Uani 0.451(7) 1 d D U P H 2
H12G H 0.728764 0.525623 0.127893 0.148 Uiso 0.451(7) 1 calc R U P H 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'
N N 0.0061 0.0033 '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'
As As 0.0499 2.0058 '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'
H H 0.0000 0.0000 '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
O12 Sn1 O9 90.80(14) . .
O12 Sn1 O14 84.05(14) . .
O9 Sn1 O14 93.14(15) . .
O12 Sn1 O10 82.86(14) . .
O9 Sn1 O10 93.39(16) . .
O14 Sn1 O10 165.44(15) . .
O12 Sn1 C1 176.0(2) . .
O9 Sn1 C1 93.2(2) . .
O14 Sn1 C1 96.3(2) . .
O10 Sn1 C1 96.4(2) . .
O12 Sn1 O7 76.88(14) . .
O9 Sn1 O7 167.03(14) . .
O14 Sn1 O7 81.71(14) . .
O10 Sn1 O7 89.12(15) . .
C1 Sn1 O7 99.2(2) . .
O12 Sn1 Sn5 37.18(10) . .
O9 Sn1 Sn5 127.96(11) . .
O14 Sn1 Sn5 82.12(10) . .
O10 Sn1 Sn5 83.59(11) . .
C1 Sn1 Sn5 138.86(19) . .
O7 Sn1 Sn5 39.73(10) . .
O16 Sn2 O5 161.71(16) . .
O16 Sn2 O11 86.18(15) . .
O5 Sn2 O11 78.05(15) . .
O16 Sn2 O4 89.68(15) . .
O5 Sn2 O4 81.20(14) . .
O11 Sn2 O4 89.97(15) . .
O16 Sn2 O17 92.52(15) . 7_665
O5 Sn2 O17 94.58(15) . 7_665
O11 Sn2 O17 82.74(16) . 7_665
O4 Sn2 O17 172.22(16) . 7_665
O16 Sn2 C5 96.5(2) . .
O5 Sn2 C5 100.6(2) . .
O11 Sn2 C5 170.3(2) . .
O4 Sn2 C5 99.3(2) . .
O17 Sn2 C5 87.8(2) 7_665 .
O16 Sn2 Na1 111.80(12) . .
O5 Sn2 Na1 59.91(11) . .
O11 Sn2 Na1 38.25(11) . .
O4 Sn2 Na1 116.90(11) . .
O17 Sn2 Na1 55.40(13) 7_665 .
C5 Sn2 Na1 132.9(2) . .
O16 Sn2 Na2 124.42(12) . .
O5 Sn2 Na2 37.35(11) . .
O11 Sn2 Na2 49.99(12) . .
O4 Sn2 Na2 62.56(11) . .
O17 Sn2 Na2 110.25(13) 7_665 .
C5 Sn2 Na2 132.8(2) . .
Na1 Sn2 Na2 56.31(5) . .
O12 Sn3 O15 89.36(15) . .
O12 Sn3 O13 83.74(14) . .
O15 Sn3 O13 91.91(16) . .
O12 Sn3 C9B 170.2(12) . .
O15 Sn3 C9B 100.4(12) . .
O13 Sn3 C9B 96.4(9) . .
O12 Sn3 O4 86.15(14) . .
O15 Sn3 O4 87.01(15) . .
O13 Sn3 O4 169.84(15) . .
C9B Sn3 O4 93.7(9) . .
O12 Sn3 C9 173.5(6) . .
O15 Sn3 C9 96.8(6) . .
O13 Sn3 C9 94.0(5) . .
O4 Sn3 C9 96.1(5) . .
O12 Sn3 O19 75.59(14) . .
O15 Sn3 O19 163.52(14) . .
O13 Sn3 O19 93.07(15) . .
C9B Sn3 O19 94.7(12) . .
O4 Sn3 O19 85.33(14) . .
C9 Sn3 O19 98.5(6) . .
O18 Sn4 O25 94.13(16) . .
O18 Sn4 O23 84.61(15) . .
O25 Sn4 O23 89.71(17) . .
O18 Sn4 C13 165.0(2) . .
O25 Sn4 C13 98.4(2) . .
O23 Sn4 C13 103.6(2) . .
O18 Sn4 O27 82.21(16) . .
O25 Sn4 O27 90.71(17) . .
O23 Sn4 O27 166.81(17) . .
C13 Sn4 O27 89.4(2) . .
O18 Sn4 O21 72.44(15) . .
O25 Sn4 O21 165.00(16) . .
O23 Sn4 O21 82.54(15) . .
C13 Sn4 O21 95.9(2) . .
O27 Sn4 O21 93.94(16) . .
O12 Sn5 O19 76.47(14) . .
O12 Sn5 O6 82.97(14) . .
O19 Sn5 O6 95.35(14) . .
O12 Sn5 C17 177.0(2) . .
O19 Sn5 C17 102.3(3) . .
O6 Sn5 C17 94.4(2) . .
O12 Sn5 O7 77.50(14) . .
O19 Sn5 O7 152.80(14) . .
O6 Sn5 O7 89.20(14) . .
C17 Sn5 O7 104.1(3) . .
O12 Sn5 O26 86.34(14) . .
O19 Sn5 O26 86.68(15) . .
O6 Sn5 O26 168.31(15) . .
C17 Sn5 O26 96.4(2) . .
O7 Sn5 O26 83.88(15) . .
O12 Sn5 Sn1 36.68(10) . .
O19 Sn5 Sn1 112.61(10) . .
O6 Sn5 Sn1 86.00(10) . .
C17 Sn5 Sn1 144.9(2) . .
O7 Sn5 Sn1 40.85(10) . .
O26 Sn5 Sn1 82.60(11) . .
O20 Sn6 O18 85.08(15) . .
O20 Sn6 O29 167.73(16) . .
O18 Sn6 O29 84.23(16) . .
O20 Sn6 O28 86.52(16) . .
O18 Sn6 O28 77.24(15) . .
O29 Sn6 O28 85.27(17) . .
O20 Sn6 C21 96.0(3) . .
O18 Sn6 C21 176.2(3) . .
O29 Sn6 C21 95.0(3) . .
O28 Sn6 C21 106.4(3) . .
O20 Sn6 O21 93.86(15) . .
O18 Sn6 O21 74.20(15) . .
O29 Sn6 O21 89.01(16) . .
O28 Sn6 O21 151.29(15) . .
C21 Sn6 O21 102.1(3) . .
O20 Sn6 Na3 35.87(12) . 7_665
O18 Sn6 Na3 78.80(11) . 7_665
O29 Sn6 Na3 145.94(13) . 7_665
O28 Sn6 Na3 118.78(12) . 7_665
C21 Sn6 Na3 100.0(3) . 7_665
O21 Sn6 Na3 58.08(11) . 7_665
O24 Sn7 O18 93.65(16) . .
O24 Sn7 O30 90.78(17) . .
O18 Sn7 O30 83.32(15) . .
O24 Sn7 C25 92.5(9) . .
O18 Sn7 C25 173.9(9) . .
O30 Sn7 C25 96.4(6) . .
O24 Sn7 O33 94.88(18) . .
O18 Sn7 O33 82.17(15) . .
O30 Sn7 O33 164.73(16) . .
C25 Sn7 O33 97.5(6) . .
O24 Sn7 C25B 94.5(19) . .
O18 Sn7 C25B 171.8(19) . .
O30 Sn7 C25B 97.6(9) . .
O33 Sn7 C25B 96.1(10) . .
O24 Sn7 O28 169.30(17) . .
O18 Sn7 O28 76.52(15) . .
O30 Sn7 O28 83.96(16) . .
C25 Sn7 O28 97.4(9) . .
O33 Sn7 O28 88.03(17) . .
C25B Sn7 O28 95.5(19) . .
O14 As1 O6 117.19(17) . .
O14 As1 O11 111.30(19) . .
O6 As1 O11 106.65(19) . .
O14 As1 C61 107.4(2) . .
O6 As1 C61 105.4(2) . .
O11 As1 C61 108.5(3) . .
O14 As1 Na2 154.39(13) . .
O6 As1 Na2 51.62(13) . .
O11 As1 Na2 60.57(14) . .
C61 As1 Na2 98.2(2) . .
O14 As1 Na1 129.14(14) . .
O6 As1 Na1 112.35(13) . .
O11 As1 Na1 40.44(13) . .
C61 As1 Na1 68.5(2) . .
Na2 As1 Na1 62.48(6) . .
O31 As2 O23 109.5(2) . .
O31 As2 O5 109.6(2) . .
O23 As2 O5 101.24(19) . .
O31 As2 C73 112.1(3) . .
O23 As2 C73 112.7(2) . .
O5 As2 C73 111.2(2) . .
O31 As2 Na3 61.3(2) . 7_665
O23 As2 Na3 55.93(15) . 7_665
O5 As2 Na3 91.74(13) . 7_665
C73 As2 Na3 156.7(2) . 7_665
O31 As2 Na2 127.0(2) . .
O23 As2 Na2 60.89(15) . .
O5 As2 Na2 40.84(13) . .
C73 As2 Na2 119.6(2) . .
Na3 As2 Na2 74.88(6) 7_665 .
O31 As2 Na3 33.55(16) . .
O23 As2 Na3 127.06(15) . .
O5 As2 Na3 77.63(14) . .
C73 As2 Na3 116.8(2) . .
Na3 As2 Na3 71.15(7) 7_665 .
Na2 As2 Na3 106.62(6) . .
O16 As3 O15 112.90(19) . .
O16 As3 O9 107.40(19) . .
O15 As3 O9 110.9(2) . .
O16 As3 C49 108.8(2) . .
O15 As3 C49 107.5(2) . .
O9 As3 C49 109.3(2) . .
O10 As4 O13 113.9(2) . .
O10 As4 O26 111.6(2) . .
O13 As4 O26 107.6(2) . .
O10 As4 C55 105.0(2) . .
O13 As4 C55 109.3(2) . .
O26 As4 C55 109.4(2) . .
O8 As5 O30 107.5(2) . .
O8 As5 O20 106.2(2) . .
O30 As5 O20 114.33(19) . .
O8 As5 C67 114.5(2) . .
O30 As5 C67 108.0(2) . .
O20 As5 C67 106.5(2) . .
O8 As5 Na2 48.66(15) . .
O30 As5 Na2 60.18(15) . .
O20 As5 Na2 114.91(15) . .
C67 As5 Na2 138.20(18) . .
O8 As5 Na3 59.74(15) . 7_665
O30 As5 Na3 121.45(15) . 7_665
O20 As5 Na3 46.88(14) . 7_665
C67 As5 Na3 129.87(19) . 7_665
Na2 As5 Na3 79.25(7) . 7_665
O22 As6 O24 111.7(2) . .
O22 As6 O25 112.1(2) . .
O24 As6 O25 110.0(2) . .
O22 As6 C97 112.04(16) . .
O24 As6 C97 106.24(17) . .
O25 As6 C97 104.34(17) . .
O22 As6 Na2 37.97(15) . .
O24 As6 Na2 84.36(16) . .
O25 As6 Na2 99.72(15) . .
C97 As6 Na2 148.12(9) . .
O32 As7 O17 109.7(2) . .
O32 As7 O21 111.2(2) . .
O17 As7 O21 103.11(19) . .
O32 As7 C85 111.8(3) . .
O17 As7 C85 116.6(2) . .
O21 As7 C85 103.9(2) . .
O32 As7 Na1 41.26(17) . 7_665
O17 As7 Na1 68.40(16) . 7_665
O21 As7 Na1 121.01(13) . 7_665
C85 As7 Na1 132.9(2) . 7_665
O32 As7 Na3 95.55(18) . 7_665
O17 As7 Na3 45.35(13) . 7_665
O21 As7 Na3 68.49(13) . 7_665
C85 As7 Na3 152.3(2) . 7_665
Na1 As7 Na3 66.57(6) 7_665 7_665
O27 As8 O29 109.5(2) . .
O27 As8 O33 113.1(2) . .
O29 As8 O33 111.0(2) . .
O27 As8 C79 108.3(3) . .
O29 As8 C79 104.7(3) . .
O33 As8 C79 109.9(3) . .
O8 Na1 O31 90.50(18) . 7_665
O8 Na1 O32 165.3(2) . 7_665
O31 Na1 O32 96.37(19) 7_665 7_665
O8 Na1 O11 93.28(17) . .
O31 Na1 O11 141.3(2) 7_665 .
O32 Na1 O11 89.44(17) 7_665 .
O8 Na1 As7 164.09(16) . 7_665
O31 Na1 As7 94.06(15) 7_665 7_665
O32 Na1 As7 28.21(13) 7_665 7_665
O11 Na1 As7 73.73(12) . 7_665
O8 Na1 Na3 53.26(12) . 7_665
O31 Na1 Na3 41.74(13) 7_665 7_665
O32 Na1 Na3 136.94(16) 7_665 7_665
O11 Na1 Na3 116.58(14) . 7_665
As7 Na1 Na3 124.16(10) 7_665 7_665
O8 Na1 As1 84.27(12) . .
O31 Na1 As1 165.74(19) 7_665 .
O32 Na1 As1 91.83(14) 7_665 .
O11 Na1 As1 26.81(10) . .
As7 Na1 As1 87.68(6) 7_665 .
Na3 Na1 As1 127.17(9) 7_665 .
O8 Na1 Na2 41.26(12) . .
O31 Na1 Na2 111.39(16) 7_665 .
O32 Na1 Na2 143.90(16) 7_665 .
O11 Na1 Na2 54.46(11) . .
As7 Na1 Na2 123.31(9) 7_665 .
Na3 Na1 Na2 70.45(8) 7_665 .
As1 Na1 Na2 56.73(6) . .
O8 Na1 Na3 115.80(15) . .
O31 Na1 Na3 48.97(16) 7_665 .
O32 Na1 Na3 78.19(15) 7_665 .
O11 Na1 Na3 95.66(14) . .
As7 Na1 Na3 58.02(6) 7_665 .
Na3 Na1 Na3 66.24(8) 7_665 .
As1 Na1 Na3 122.25(9) . .
Na2 Na1 Na3 102.56(10) . .
O8 Na1 Sn2 102.74(14) . .
O31 Na1 Sn2 109.72(18) 7_665 .
O32 Na1 Sn2 87.15(14) 7_665 .
O11 Na1 Sn2 32.15(10) . .
As7 Na1 Sn2 61.39(5) 7_665 .
Na3 Na1 Sn2 97.59(9) 7_665 .
As1 Na1 Sn2 58.96(4) . .
Na2 Na1 Sn2 62.47(6) . .
Na3 Na1 Sn2 63.79(6) . .
O22 Na2 O8 160.79(18) . .
O22 Na2 O5 91.40(17) . .
O8 Na2 O5 89.63(15) . .
O22 Na2 O6 91.55(15) . .
O8 Na2 O6 106.06(16) . .
O5 Na2 O6 110.32(15) . .
O22 Na2 O30 103.56(16) . .
O8 Na2 O30 64.10(14) . .
O5 Na2 O30 138.12(16) . .
O6 Na2 O30 108.15(15) . .
O22 Na2 O11 116.75(15) . .
O8 Na2 O11 79.87(14) . .
O5 Na2 O11 58.55(13) . .
O6 Na2 O11 58.62(12) . .
O30 Na2 O11 136.93(15) . .
O22 Na2 As5 132.80(14) . .
O8 Na2 As5 31.66(10) . .
O5 Na2 As5 112.29(12) . .
O6 Na2 As5 115.01(12) . .
O30 Na2 As5 33.06(9) . .
O11 Na2 As5 110.43(10) . .
O22 Na2 As1 113.42(13) . .
O8 Na2 As1 85.78(12) . .
O5 Na2 As1 88.42(11) . .
O6 Na2 As1 30.21(9) . .
O30 Na2 As1 119.15(12) . .
O11 Na2 As1 30.69(8) . .
As5 Na2 As1 107.68(7) . .
O22 Na2 As6 26.40(10) . .
O8 Na2 As6 135.21(13) . .
O5 Na2 As6 101.81(12) . .
O6 Na2 As6 109.89(11) . .
O30 Na2 As6 79.77(11) . .
O11 Na2 As6 142.50(11) . .
As5 Na2 As6 106.61(7) . .
As1 Na2 As6 136.98(8) . .
O22 Na2 As2 84.82(13) . .
O8 Na2 As2 87.46(12) . .
O5 Na2 As2 26.98(9) . .
O6 Na2 As2 136.50(12) . .
O30 Na2 As2 114.85(12) . .
O11 Na2 As2 84.60(10) . .
As5 Na2 As2 98.26(7) . .
As1 Na2 As2 115.04(7) . .
As6 Na2 As2 84.52(6) . .
O22 Na2 Na1 152.24(16) . .
O8 Na2 Na1 38.52(11) . .
O5 Na2 Na1 62.25(11) . .
O6 Na2 Na1 89.98(11) . .
O30 Na2 Na1 102.26(12) . .
O11 Na2 Na1 43.31(9) . .
As5 Na2 Na1 70.19(6) . .
As1 Na2 Na1 60.79(6) . .
As6 Na2 Na1 158.53(10) . .
As2 Na2 Na1 75.19(7) . .
O22 Na2 Sn2 91.91(13) . .
O8 Na2 Sn2 98.83(12) . .
O5 Na2 Sn2 31.33(9) . .
O6 Na2 Sn2 79.00(10) . .
O30 Na2 Sn2 162.56(12) . .
O11 Na2 Sn2 33.71(8) . .
As5 Na2 Sn2 129.53(7) . .
As1 Na2 Sn2 59.64(4) . .
As6 Na2 Sn2 113.37(7) . .
As2 Na2 Sn2 57.90(4) . .
Na1 Na2 Sn2 61.22(6) . .
O31 Na3 O20 121.9(2) . 7_665
O31 Na3 O17 109.59(17) . 7_665
O20 Na3 O17 93.41(16) 7_665 7_665
O31 Na3 O23 127.98(18) . 7_665
O20 Na3 O23 89.97(15) 7_665 7_665
O17 Na3 O23 107.93(16) 7_665 7_665
O31 Na3 O31 80.4(2) . 7_665
O20 Na3 O31 151.86(17) 7_665 7_665
O17 Na3 O31 94.44(16) 7_665 7_665
O23 Na3 O31 61.91(14) 7_665 7_665
O31 Na3 O8 77.98(16) . 7_665
O20 Na3 O8 63.10(13) 7_665 7_665
O17 Na3 O8 154.43(17) 7_665 7_665
O23 Na3 O8 83.38(14) 7_665 7_665
O31 Na3 O8 111.03(15) 7_665 7_665
O31 Na3 As2 98.27(16) . 7_665
O20 Na3 As2 120.92(13) 7_665 7_665
O17 Na3 As2 113.14(13) 7_665 7_665
O23 Na3 As2 32.87(9) 7_665 7_665
O31 Na3 As2 32.19(10) 7_665 7_665
O8 Na3 As2 88.99(11) 7_665 7_665
O31 Na3 As5 102.31(15) . 7_665
O20 Na3 As5 31.93(10) 7_665 7_665
O17 Na3 As5 125.15(13) 7_665 7_665
O23 Na3 As5 83.62(12) 7_665 7_665
O31 Na3 As5 134.79(12) 7_665 7_665
O8 Na3 As5 31.34(9) 7_665 7_665
As2 Na3 As5 104.67(7) 7_665 7_665
O31 Na3 As7 134.00(14) . 7_665
O20 Na3 As7 89.99(12) 7_665 7_665
O17 Na3 As7 29.42(9) 7_665 7_665
O23 Na3 As7 78.73(11) 7_665 7_665
O31 Na3 As7 83.82(12) 7_665 7_665
O8 Na3 As7 147.64(12) 7_665 7_665
As2 Na3 As7 90.35(7) 7_665 7_665
As5 Na3 As7 119.04(7) 7_665 7_665
O31 Na3 Na1 40.96(12) . 7_665
O20 Na3 Na1 100.83(13) 7_665 7_665
O17 Na3 Na1 150.27(14) 7_665 7_665
O23 Na3 Na1 98.12(12) 7_665 7_665
O31 Na3 Na1 85.20(12) 7_665 7_665
O8 Na3 Na1 40.68(10) 7_665 7_665
As2 Na3 Na1 81.57(7) 7_665 7_665
As5 Na3 Na1 70.87(7) 7_665 7_665
As7 Na3 Na1 168.77(10) 7_665 7_665
O31 Na3 As2 23.54(11) . .
O20 Na3 As2 125.48(13) 7_665 .
O17 Na3 As2 86.05(11) 7_665 .
O23 Na3 As2 141.71(12) 7_665 .
O31 Na3 As2 82.04(11) 7_665 .
O8 Na3 As2 99.20(11) 7_665 .
As2 Na3 As2 108.85(7) 7_665 .
As5 Na3 As2 117.81(8) 7_665 .
As7 Na3 As2 111.55(6) 7_665 .
Na1 Na3 As2 64.42(6) 7_665 .
O31 Na3 Na1 87.35(15) . .
O20 Na3 Na1 145.40(14) 7_665 .
O17 Na3 Na1 56.67(12) 7_665 .
O23 Na3 Na1 84.34(12) 7_665 .
O31 Na3 Na1 38.60(10) 7_665 .
O8 Na3 Na1 148.81(12) 7_665 .
As2 Na3 Na1 65.85(6) 7_665 .
As5 Na3 Na1 167.63(10) 7_665 .
As7 Na3 Na1 55.42(5) 7_665 .
Na1 Na3 Na1 113.75(8) 7_665 .
As2 Na3 Na1 73.86(6) . .
Sn2 O4 Sn3 139.37(19) . .
As2 O5 Sn2 134.7(2) . .
As2 O5 Na2 112.18(19) . .
Sn2 O5 Na2 111.32(16) . .
As1 O6 Sn5 124.31(19) . .
As1 O6 Na2 98.18(17) . .
Sn5 O6 Na2 127.33(17) . .
Sn5 O7 Sn1 99.42(15) . .
As5 O8 Na1 160.1(3) . .
As5 O8 Na2 99.7(2) . .
Na1 O8 Na2 100.21(18) . .
As5 O8 Na3 88.92(17) . 7_665
Na1 O8 Na3 86.06(16) . 7_665
Na2 O8 Na3 103.04(17) . 7_665
As3 O9 Sn1 124.3(2) . .
As4 O10 Sn1 120.58(19) . .
As1 O11 Sn2 137.7(2) . .
As1 O11 Na1 112.75(19) . .
Sn2 O11 Na1 109.59(17) . .
As1 O11 Na2 88.74(17) . .
Sn2 O11 Na2 96.31(15) . .
Na1 O11 Na2 82.23(13) . .
Sn1 O12 Sn3 143.42(18) . .
Sn1 O12 Sn5 106.13(15) . .
Sn3 O12 Sn5 106.00(15) . .
As4 O13 Sn3 119.8(2) . .
As1 O14 Sn1 128.7(2) . .
As3 O15 Sn3 125.2(2) . .
As3 O16 Sn2 134.7(2) . .
As7 O17 Sn2 136.9(2) . 7_665
As7 O17 Na3 105.23(18) . 7_665
Sn2 O17 Na3 114.45(17) 7_665 7_665
Sn4 O18 Sn7 139.1(2) . .
Sn4 O18 Sn6 112.76(17) . .
Sn7 O18 Sn6 105.71(17) . .
Sn5 O19 Sn3 100.99(15) . .
As5 O20 Sn6 126.6(2) . .
As5 O20 Na3 101.19(18) . 7_665
Sn6 O20 Na3 113.20(18) . 7_665
As7 O21 Sn6 131.2(2) . .
As7 O21 Sn4 128.5(2) . .
Sn6 O21 Sn4 99.22(15) . .
As6 O22 Na2 115.6(2) . .
As2 O23 Sn4 134.5(2) . .
As2 O23 Na3 91.20(18) . 7_665
Sn4 O23 Na3 120.39(18) . 7_665
As6 O24 Sn7 135.1(2) . .
As6 O25 Sn4 134.1(2) . .
As4 O26 Sn5 116.3(2) . .
As8 O27 Sn4 119.2(2) . .
Sn6 O28 Sn7 100.51(17) . .
As8 O29 Sn6 118.8(2) . .
As5 O30 Sn7 128.7(2) . .
As5 O30 Na2 86.76(17) . .
Sn7 O30 Na2 118.54(18) . .
As2 O31 Na1 139.4(3) . 7_665
As2 O31 Na3 122.9(2) . .
Na1 O31 Na3 97.30(18) 7_665 .
As2 O31 Na3 86.5(2) . 7_665
Na1 O31 Na3 92.42(19) 7_665 7_665
Na3 O31 Na3 99.6(2) . 7_665
As7 O32 Na1 110.5(3) . 7_665
As8 O33 Sn7 118.9(2) . .
C2 C1 Sn1 115.1(5) . .
C1 C2 C3 112.5(9) . .
C4 C3 C2 113.9(11) . .
C6 C5 Sn2 119.1(5) . .
C7 C6 C5 113.8(8) . .
C8 C7 C6 112.0(10) . .
C10 C9 Sn3 117.3(11) . .
C11 C10 C9 111.8(15) . .
C10 C11 C12 100.1(14) . .
C10B C9B Sn3 119.1(16) . .
C9B C10B C11B 109.1(15) . .
C12B C11B C10B 105.4(16) . .
C14 C13 Sn4 114.3(8) . .
C14B C13 Sn4 113.7(10) . .
C13 C14 C15 109.6(13) . .
C14 C15 C16 105.0(15) . .
C13 C14B C15B 110.5(16) . .
C14B C15B C16B 105.4(16) . .
C18B C17 Sn5 123.8(11) . .
C18 C17 Sn5 112.1(10) . .
C19 C18 C17 109.6(16) . .
C18 C19 C20 105.0(16) . .
C17 C18B C19B 108.3(17) . .
C20B C19B C18B 100.7(15) . .
C22 C21 Sn6 123.8(13) . .
C22B C21 Sn6 105.2(8) . .
C23 C22 C21 107.8(17) . .
C22 C23 C24 112.5(18) . .
C23B C22B C21 117.4(13) . .
C22B C23B C24B 104.3(13) . .
C26 C25 Sn7 120.5(14) . .
C25 C26 C27 111.6(14) . .
C28 C27 C26 106.0(15) . .
C26B C25B Sn7 116.5(17) . .
C25B C26B C27B 111.0(17) . .
C28B C27B C26B 107.7(17) . .
C50 C49 C54 118.8(7) . .
C50 C49 As3 119.5(5) . .
C54 C49 As3 121.7(6) . .
C49 C50 C51 121.4(7) . .
C52 C51 C50 119.3(9) . .
C51 C52 C53 119.1(8) . .
C51 C52 N1 118.4(11) . .
C53 C52 N1 122.5(10) . .
C54 C53 C52 121.6(9) . .
C53 C54 C49 119.8(9) . .
C56 C55 C60 118.6(6) . .
C56 C55 As4 120.8(5) . .
C60 C55 As4 120.5(5) . .
C55 C56 C57 121.5(7) . .
C58 C57 C56 120.7(6) . .
C57 C58 C59 119.4(6) . .
C57 C58 N2 121.3(6) . .
C59 C58 N2 119.2(7) . .
C58 C59 C60 120.0(7) . .
C55 C60 C59 119.4(7) . .
C62 C61 C66 118.8(7) . .
C62 C61 As1 121.7(5) . .
C66 C61 As1 119.1(6) . .
C61 C62 C63 122.0(7) . .
C64 C63 C62 121.3(7) . .
C63 C64 C65 115.6(9) . .
C63 C64 N4 122.7(9) . .
C65 C64 N4 120.9(11) . .
C66 C65 C64 123.1(12) . .
C61 C66 C65 116.2(12) . .
C68 C67 C72 118.1(6) . .
C68 C67 As5 121.7(5) . .
C72 C67 As5 120.1(5) . .
C69 C68 C67 121.4(7) . .
C68 C69 C70 120.9(7) . .
C71 C70 C69 118.6(6) . .
C71 C70 N3 119.9(7) . .
C69 C70 N3 121.4(7) . .
C70 C71 C72 120.5(7) . .
C67 C72 C71 120.5(6) . .
C74 C73 C78 118.6(8) . .
C74 C73 As2 121.2(5) . .
C78 C73 As2 120.2(7) . .
C73 C74 C75 120.2(9) . .
C76 C75 C74 121.7(11) . .
C77 C76 C75 118.2(11) . .
C77 C76 N5 122.6(13) . .
C75 C76 N5 119.1(15) . .
C76 C77 C78 121.7(11) . .
C73 C78 C77 119.5(11) . .
C84 C79 C80 118.6(7) . .
C84 C79 As8 119.0(6) . .
C80 C79 As8 122.0(6) . .
C79 C80 C81 119.6(7) . .
C82 C81 C80 121.7(7) . .
C81 C82 C83 119.2(7) . .
C81 C82 N6 120.7(8) . .
C83 C82 N6 119.9(8) . .
C82 C83 C84 118.7(9) . .
C79 C84 C83 122.0(8) . .
C86 C85 C90 119.8(6) . .
C86 C85 As7 121.3(5) . .
C90 C85 As7 118.6(5) . .
C85 C86 C87 120.3(7) . .
C86 C87 C88 121.6(8) . .
C89 C88 C87 117.2(8) . .
C89 C88 N7 120.5(10) . .
C87 C88 N7 122.3(10) . .
C90 C89 C88 121.3(8) . .
C89 C90 C85 119.8(7) . .
C12D C97 C98B 120.0(8) . .
C102 C97 C98 119.5(7) . .
C102 C97 As6 121.6(5) . .
C12D C97 As6 119.4(6) . .
C98B C97 As6 120.6(5) . .
C98 C97 As6 118.9(5) . .
C101 C100 N8 119.6(6) . .
C99B C100 N8 120.0(6) . .
C99B C100 C11D 119.6(8) . .
N8 C100 C11D 120.4(7) . .
C101 C100 C99 120.0(8) . .
N8 C100 C99 120.5(6) . .
C99 C98 C97 117.9(11) . .
C98 C99 C100 121.6(11) . .
C100 C101 C102 119.2(11) . .
C97 C102 C101 121.9(11) . .
C99B C98B C97 120.5(11) . .
C100 C99B C98B 120.0(12) . .
C12D C11D C100 120.9(12) . .
C11D C12D C97 119.0(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O12 2.052(3) .
Sn1 O9 2.099(4) .
Sn1 O14 2.107(4) .
Sn1 O10 2.113(4) .
Sn1 C1 2.130(6) .
Sn1 O7 2.188(4) .
Sn1 Sn5 3.3004(6) .
Sn2 O16 2.060(4) .
Sn2 O5 2.097(4) .
Sn2 O11 2.098(4) .
Sn2 O4 2.133(4) .
Sn2 O17 2.138(4) 7_665
Sn2 C5 2.159(6) .
Sn2 Na1 3.714(3) .
Sn2 Na2 3.758(3) .
Sn3 O12 2.061(3) .
Sn3 O15 2.084(4) .
Sn3 O13 2.116(4) .
Sn3 C9B 2.132(15) .
Sn3 O4 2.146(3) .
Sn3 C9 2.144(8) .
Sn3 O19 2.169(4) .
Sn4 O18 2.018(4) .
Sn4 O25 2.047(4) .
Sn4 O23 2.116(4) .
Sn4 C13 2.144(6) .
Sn4 O27 2.151(4) .
Sn4 O21 2.308(4) .
Sn5 O12 2.077(3) .
Sn5 O19 2.114(4) .
Sn5 O6 2.121(4) .
Sn5 C17 2.133(7) .
Sn5 O7 2.138(4) .
Sn5 O26 2.148(4) .
Sn6 O20 2.073(4) .
Sn6 O18 2.082(4) .
Sn6 O29 2.098(4) .
Sn6 O28 2.132(4) .
Sn6 C21 2.146(7) .
Sn6 O21 2.172(4) .
Sn6 Na3 3.706(2) 7_665
Sn7 O24 2.070(4) .
Sn7 O18 2.072(4) .
Sn7 O30 2.112(4) .
Sn7 C25 2.140(10) .
Sn7 O33 2.145(4) .
Sn7 C25B 2.160(15) .
Sn7 O28 2.174(4) .
As1 O14 1.679(4) .
As1 O6 1.689(4) .
As1 O11 1.697(4) .
As1 C61 1.895(6) .
As1 Na2 3.324(3) .
As1 Na1 3.470(2) .
As2 O31 1.657(4) .
As2 O23 1.686(4) .
As2 O5 1.697(4) .
As2 C73 1.903(7) .
As2 Na3 3.105(3) 7_665
As2 Na2 3.465(3) .
As2 Na3 3.482(3) .
As3 O16 1.673(4) .
As3 O15 1.678(4) .
As3 O9 1.695(4) .
As3 C49 1.892(6) .
As4 O10 1.687(4) .
As4 O13 1.690(4) .
As4 O26 1.701(4) .
As4 C55 1.887(5) .
As5 O8 1.652(4) .
As5 O30 1.695(4) .
As5 O20 1.712(4) .
As5 C67 1.902(6) .
As5 Na2 3.102(2) .
As5 Na3 3.175(2) 7_665
As6 O22 1.669(4) .
As6 O24 1.681(5) .
As6 O25 1.689(4) .
As6 C97 1.882(6) .
As6 Na2 3.385(3) .
As7 O32 1.637(5) .
As7 O17 1.701(4) .
As7 O21 1.755(4) .
As7 C85 1.910(6) .
As7 Na1 3.243(3) 7_665
As7 Na3 3.341(2) 7_665
As8 O27 1.685(5) .
As8 O29 1.694(4) .
As8 O33 1.688(4) .
As8 C79 1.894(6) .
Na1 O8 2.231(5) .
Na1 O31 2.257(5) 7_665
Na1 O32 2.284(5) 7_665
Na1 O11 2.441(4) .
Na1 Na3 3.415(3) 7_665
Na1 Na2 3.525(3) .
Na1 Na3 3.614(4) .
Na2 O22 2.310(5) .
Na2 O8 2.363(5) .
Na2 O5 2.447(5) .
Na2 O6 2.632(4) .
Na2 O30 2.696(5) .
Na2 O11 2.895(5) .
Na3 O31 2.292(5) .
Na3 O20 2.362(5) 7_665
Na3 O17 2.463(4) 7_665
Na3 O23 2.572(5) 7_665
Na3 O31 2.729(6) 7_665
Na3 O8 2.743(5) 7_665
N1 C52 1.453(11) .
N2 C58 1.412(8) .
N3 C70 1.444(8) .
N4 C64 1.395(11) .
N5 C76 1.448(15) .
N6 C82 1.407(9) .
N7 C88 1.409(11) .
C1 C2 1.470(10) .
C2 C3 1.515(12) .
C3 C4 1.455(14) .
C5 C6 1.475(10) .
C6 C7 1.494(11) .
C7 C8 1.475(13) .
C9 C10 1.509(18) .
C10 C11 1.520(16) .
C11 C12 1.609(18) .
C9B C10B 1.493(18) .
C10B C11B 1.529(17) .
C11B C12B 1.539(18) .
C13 C14 1.518(15) .
C13 C14B 1.527(17) .
C14 C15 1.530(16) .
C15 C16 1.543(17) .
C14B C15B 1.524(18) .
C15B C16B 1.605(18) .
C17 C18B 1.481(18) .
C17 C18 1.516(17) .
C18 C19 1.500(18) .
C19 C20 1.575(18) .
C18B C19B 1.584(18) .
C19B C20B 1.513(19) .
C21 C22 1.520(18) .
C21 C22B 1.512(15) .
C22 C23 1.478(19) .
C23 C24 1.501(18) .
C22B C23B 1.462(15) .
C23B C24B 1.584(16) .
C25 C26 1.457(18) .
C26 C27 1.544(16) .
C27 C28 1.522(17) .
C25B C26B 1.50(2) .
C26B C27B 1.516(18) .
C27B C28B 1.508(19) .
C49 C50 1.353(10) .
C49 C54 1.381(10) .
C50 C51 1.384(10) .
C51 C52 1.353(13) .
C52 C53 1.375(15) .
C53 C54 1.345(12) .
C55 C56 1.375(9) .
C55 C60 1.386(10) .
C56 C57 1.381(9) .
C57 C58 1.345(10) .
C58 C59 1.398(10) .
C59 C60 1.405(10) .
C61 C62 1.354(9) .
C61 C66 1.349(13) .
C62 C63 1.383(9) .
C63 C64 1.319(12) .
C64 C65 1.386(17) .
C65 C66 1.432(16) .
C67 C68 1.362(9) .
C67 C72 1.372(9) .
C68 C69 1.362(10) .
C69 C70 1.365(10) .
C70 C71 1.363(10) .
C71 C72 1.385(10) .
C73 C74 1.373(10) .
C73 C78 1.368(10) .
C74 C75 1.372(11) .
C75 C76 1.327(16) .
C76 C77 1.374(18) .
C77 C78 1.366(15) .
C79 C84 1.358(11) .
C79 C80 1.384(10) .
C80 C81 1.385(10) .
C81 C82 1.347(11) .
C82 C83 1.390(12) .
C83 C84 1.390(11) .
C85 C86 1.364(9) .
C85 C90 1.396(9) .
C86 C87 1.380(10) .
C87 C88 1.395(13) .
C88 C89 1.399(13) .
C89 C90 1.381(9) .
C97 C102 1.380(12) .
C97 C12D 1.394(12) .
C97 C98B 1.402(12) .
C97 C98 1.431(12) .
C100 C101 1.357(12) .
C100 C99B 1.392(14) .
C100 N8 1.407(7) .
C100 C11D 1.397(14) .
C100 C99 1.425(12) .
C98 C99 1.386(12) .
C101 C102 1.412(13) .
C98B C99B 1.396(13) .
C11D C12D 1.409(14) .
