#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/19/7111994.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_7111994
loop_
_publ_author_name
'Jamie M. Cameron'
'Jing Gao'
'Laia Vila-Nadal'
'De-Liang Long'
'Leroy Cronin'
_publ_section_title
;
 Formation, self-assembly and transformation of a transient
 selenotungstate building block into clusters, chains and macrocycles
;
_journal_name_full               Chem.Commun.
_journal_page_first              2155
_journal_paper_doi               10.1039/c3cc49293a
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'Cl H100 Mn3 N11 Na4 O122 Se6 W24'
_chemical_formula_weight         7385.29
_chemical_name_systematic
;
 ?
;
_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'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   'F map'
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 123.828(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   34.2145(6)
_cell_length_b                   17.0782(2)
_cell_length_c                   25.5489(5)
_cell_measurement_reflns_used    17925
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.8
_cell_measurement_theta_min      2.87
_cell_volume                     12401.5(6)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan  5 2010,16:28:46)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan  5 2010,16:28:46)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan  5 2010,16:28:46)
;
_computing_molecular_graphics    Diamond3
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Gemini A Ultra CCD'
_diffrn_measurement_method       'ω & π scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0476
_diffrn_reflns_av_unetI/netI     0.0481
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            50642
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.967
_diffrn_source                   'the Enhance sealed tube'
_exptl_absorpt_coefficient_mu    24.368
_exptl_absorpt_correction_T_max  0.293
_exptl_absorpt_correction_T_min  0.117
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    3.956
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             13076
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.098
_exptl_crystal_size_min          0.092
_refine_diff_density_max         2.41
_refine_diff_density_min         -1.38
_refine_diff_density_rms         0.30
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     768
_refine_ls_number_reflns         12184
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0323
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0240P)²+95.7936P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0715
_refine_ls_wR_factor_ref         0.0795
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9734
_reflns_number_total             12184
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c3cc49293a.txt
_cod_data_source_block           jg3152b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'Direct method' was changed to
'direct'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_cell_volume        12401.5(5)
_cod_database_code               7111994
_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.
;
_shelx_estimated_absorpt_t_min   0.068
_shelx_estimated_absorpt_t_max   0.213
_shelxl_version_number           2013-4
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
W1 W 0.66550(2) 0.39037(3) 0.46939(2) 0.01491(10) Uani 1 1 d . . . . .
W2 W 0.75701(2) 0.70352(3) 0.69714(2) 0.01444(10) Uani 1 1 d . . . . .
W3 W 0.63423(2) 0.69831(3) 0.55850(2) 0.01460(10) Uani 1 1 d . . . . .
W4 W 0.79262(2) 0.39028(3) 0.61495(2) 0.01464(10) Uani 1 1 d . . . . .
W5 W 0.54178(2) 0.60300(3) 0.40703(2) 0.01546(10) Uani 1 1 d . . . . .
W6 W 0.86926(2) 0.59999(3) 0.78586(2) 0.01485(10) Uani 1 1 d . . . . .
W7 W 0.70500(2) 0.49430(3) 0.39499(2) 0.01354(10) Uani 1 1 d . . . . .
W8 W 0.82828(2) 0.49517(3) 0.53484(2) 0.01422(10) Uani 1 1 d . . . . .
W9 W 0.62634(2) 0.50030(3) 0.55687(2) 0.01512(10) Uani 1 1 d . . . . .
W10 W 0.90444(2) 0.49658(3) 0.70738(2) 0.01599(10) Uani 1 1 d . . . . .
W11 W 0.75338(2) 0.50442(3) 0.70458(2) 0.01382(10) Uani 1 1 d . . . . .
W12 W 0.57634(2) 0.50200(3) 0.32753(2) 0.01550(10) Uani 1 1 d . . . . .
Se1 Se 0.79571(3) 0.60512(6) 0.61750(4) 0.0118(2) Uani 1 1 d . . . . .
Se2 Se 0.66726(3) 0.60328(6) 0.47107(4) 0.0114(2) Uani 1 1 d . . . . .
Se3 Se 0.95873(3) 0.67094(7) 0.77485(5) 0.0195(2) Uani 1 1 d . . . . .
Mn1 Mn 0.77751(5) 0.67233(10) 0.43966(7) 0.0157(3) Uani 1 1 d . . . . .
Mn2 Mn 0.5000 0.66465(14) 0.2500 0.0143(5) Uani 1 2 d S T P . .
Na1 Na 1.0104(7) 0.6927(14) 0.9971(9) 0.056(5) Uiso 0.3 1 d . . P A 1
Na1' Na 1.0117(10) 0.745(2) 1.0248(14) 0.057(8) Uiso 0.2 1 d . . P B 2
Na2 Na 0.88558(18) 0.5898(4) 0.9460(2) 0.0454(14) Uani 1 1 d . . . . .
Na3 Na 1.0125(5) 0.3519(11) 0.8043(7) 0.052(4) Uiso 0.35 1 d . . P C 1
Cl1 Cl 0.7500 0.7500 0.5000 0.0221(8) Uani 1 2 d S . P . .
O1 O 0.7158(2) 0.5972(5) 0.4012(3) 0.0176(16) Uani 1 1 d . . . . .
O2 O 0.5771(2) 0.5166(5) 0.4770(3) 0.0189(17) Uani 1 1 d . . . . .
O3 O 0.6092(2) 0.4242(5) 0.4062(3) 0.0178(16) Uani 1 1 d . . . . .
O4 O 0.6540(2) 0.2921(5) 0.4692(3) 0.0211(17) Uani 1 1 d . . . . .
O5 O 0.6905(2) 0.5151(4) 0.4716(3) 0.0149(16) Uani 1 1 d . . . . .
O6 O 0.5243(2) 0.6746(4) 0.3482(3) 0.0160(16) Uani 1 1 d . . . . .
O7 O 0.5549(2) 0.5832(5) 0.2755(3) 0.0149(16) Uani 1 1 d . . . . .
O8 O 0.4908(2) 0.5915(5) 0.4065(3) 0.0207(17) Uani 1 1 d . . . . .
O9 O 0.5337(2) 0.5169(5) 0.3528(3) 0.0186(17) Uani 1 1 d . . . . .
O10 O 0.5515(2) 0.4240(5) 0.2764(3) 0.0255(19) Uani 1 1 d . . . . .
O11 O 0.6631(2) 0.5934(5) 0.5340(3) 0.0176(16) Uani 1 1 d . . . . .
O12 O 0.6101(2) 0.5926(4) 0.4099(3) 0.0153(16) Uani 1 1 d . . . . .
O13 O 0.6375(2) 0.5051(4) 0.3435(3) 0.0157(16) Uani 1 1 d . . . . .
O14 O 0.5789(2) 0.6706(5) 0.4757(3) 0.0187(17) Uani 1 1 d . . . . .
O15 O 0.6188(2) 0.5973(5) 0.5845(3) 0.0170(17) Uani 1 1 d . . . . .
O16 O 0.6566(2) 0.4288(4) 0.5325(3) 0.0161(16) Uani 1 1 d . . . . .
O17 O 0.6060(2) 0.7645(5) 0.5769(3) 0.0215(17) Uani 1 1 d . . . . .
O18 O 0.6912(2) 0.6922(5) 0.6402(3) 0.0188(17) Uani 1 1 d . . . . .
O19 O 0.6922(2) 0.5006(4) 0.6419(3) 0.0175(16) Uani 1 1 d . . . . .
O20 O 0.8838(2) 0.5097(5) 0.6236(3) 0.0159(16) Uani 1 1 d . . . . .
O21 O 0.6909(2) 0.3907(4) 0.4205(3) 0.0165(16) Uani 1 1 d . . . . .
O22 O 0.7342(2) 0.3789(5) 0.5462(3) 0.0219(18) Uani 1 1 d . . . . .
O23 O 0.7678(2) 0.4692(5) 0.4638(3) 0.0181(16) Uani 1 1 d . . . . .
O24 O 0.7113(2) 0.4624(5) 0.3364(3) 0.0228(18) Uani 1 1 d . . . . .
O25 O 0.6609(2) 0.7551(5) 0.5278(3) 0.0179(16) Uani 1 1 d . . . . .
O26 O 0.7641(2) 0.7580(4) 0.6442(3) 0.0177(16) Uani 1 1 d . . . . .
O27 O 0.7611(2) 0.5966(4) 0.6457(3) 0.0157(16) Uani 1 1 d . . . . .
O28 O 0.7729(2) 0.4340(5) 0.6649(3) 0.0181(17) Uani 1 1 d . . . . .
O29 O 0.7538(2) 0.4445(5) 0.7597(3) 0.0198(17) Uani 1 1 d . . . . .
O30 O 0.7522(2) 0.6037(5) 0.7356(3) 0.0176(17) Uani 1 1 d . . . . .
O31 O 0.8222(2) 0.3943(4) 0.5711(3) 0.0159(16) Uani 1 1 d . . . . .
O32 O 0.8044(2) 0.2950(5) 0.6423(3) 0.0225(18) Uani 1 1 d . . . . .
O33 O 0.7890(2) 0.5159(4) 0.5831(3) 0.0165(16) Uani 1 1 d . . . . .
O34 O 0.8615(2) 0.4595(5) 0.5084(3) 0.0205(17) Uani 1 1 d . . . . .
O35 O 0.8219(2) 0.5980(5) 0.5194(3) 0.0203(17) Uani 1 1 d . . . . .
O36 O 0.6026(2) 0.4387(5) 0.5850(3) 0.0232(18) Uani 1 1 d . . . . .
O37 O 0.8583(2) 0.4282(4) 0.6889(3) 0.0164(16) Uani 1 1 d . . . . .
O38 O 0.8258(2) 0.5247(5) 0.7643(3) 0.0163(16) Uani 1 1 d . . . . .
O39 O 0.8500(2) 0.5926(5) 0.6848(3) 0.0179(17) Uani 1 1 d . . . . .
O40 O 0.9136(2) 0.5293(5) 0.7857(3) 0.0181(16) Uani 1 1 d . . . . .
O41 O 0.9488(2) 0.7473(5) 0.7284(3) 0.0229(18) Uani 1 1 d . . . . .
O42 O 0.9126(2) 0.6844(4) 0.7836(3) 0.0162(16) Uani 1 1 d . . . . .
O43 O 0.9401(2) 0.5990(5) 0.7190(3) 0.0197(17) Uani 1 1 d . . . . .
O44 O 0.8962(2) 0.6088(5) 0.8659(3) 0.0207(18) Uani 1 1 d . . . . .
O45 O 0.8255(2) 0.6811(4) 0.7540(3) 0.0155(16) Uani 1 1 d . . . . .
O46 O 0.7568(2) 0.7717(5) 0.7472(3) 0.0185(17) Uani 1 1 d . . . . .
O47 O 0.9521(2) 0.4346(5) 0.7362(3) 0.0227(18) Uani 1 1 d . . . . .
O51 O 0.7976(2) 0.6001(5) 0.3869(3) 0.027(2) Uani 1 1 d . . . . .
O52 O 0.8021(2) 0.5946(6) 0.8706(3) 0.030(2) Uani 1 1 d . . . . .
O53 O 0.8933(3) 0.7383(8) 0.9566(5) 0.067(3) Uani 1 1 d . . . . .
O54 O 0.8451(4) 0.9102(7) 0.7850(5) 0.029(3) Uiso 0.7 1 d . . P . .
O55 O 0.8881(3) 0.4485(6) 0.9322(4) 0.040(2) Uani 1 1 d . . . . .
O56 O 0.3479(4) 0.3894(8) 0.2826(5) 0.038(3) Uiso 0.7 1 d . . P . .
O57 O 0.9402(4) 0.7746(7) 0.8964(5) 0.035(3) Uani 0.7 1 d . . P A 1
O58 O 0.9685(5) 0.5928(11) 1.0227(7) 0.052(4) Uiso 0.6 1 d . . P A 1
O59 O 1.0235(4) 0.6103(9) 0.9350(6) 0.034(3) Uiso 0.65 1 d . . P A 1
O59' O 1.0490(7) 0.5915(15) 0.9396(10) 0.026(5) Uiso 0.35 1 d . . P D 2
O60 O 0.9720(10) 0.279(2) 0.8364(14) 0.042(8) Uiso 0.3 1 d . . P C 1
O60' O 0.9527(4) 0.2493(9) 0.8324(6) 0.038(3) Uiso 0.7 1 d . . P E 2
O61 O 1.0916(4) 0.3118(8) 0.8767(6) 0.042(3) Uiso 0.7 1 d . . P . .
O62' O 0.8358(10) 0.324(2) 0.7878(13) 0.040(7) Uiso 0.3 1 d . . P F 2
O62 O 0.8304(5) 0.2721(11) 0.7651(7) 0.044(4) Uiso 0.6 1 d . . P G 1
O63' O 1.0261(14) 0.480(3) 0.8693(19) 0.048(11) Uiso 0.25 1 d . . P H 2
O63 O 1.0299(7) 0.4376(14) 0.8688(9) 0.075(6) Uiso 0.65 1 d . . P C 1
O64 O 1.0000 0.2403(17) 0.7500 0.060(7) Uiso 0.6 2 d S . P . .
O65 O 0.6125(8) 0.3057(16) 0.2898(11) 0.046(7) Uiso 0.4 1 d . . P I 1
O65' O 0.6106(10) 0.286(2) 0.3135(14) 0.040(8) Uiso 0.3 1 d . . P . .
O66 O 0.6954(3) 0.2984(5) 0.6239(4) 0.034(2) Uani 1 1 d . . . . .
O67 O 0.4577(8) 0.6520(17) 0.5666(11) 0.043(6) Uiso 0.4 1 d . . P J 1
O67' O 0.4486(9) 0.6871(19) 0.5759(12) 0.058(8) Uiso 0.4 1 d . . P K 2
N1 N 0.8634(3) 0.8267(7) 0.7091(4) 0.029(2) Uani 1 1 d . . . . .
N2 N 0.4390(4) 0.4540(8) 0.3299(5) 0.036(3) Uani 0.9 1 d . . P . .
N3 N 0.7261(3) 0.1915(6) 0.5628(4) 0.024(2) Uani 1 1 d . . . . .
N4 N 0.9027(7) 0.3873(13) 0.8414(9) 0.043(5) Uiso 0.6 1 d . . P L 1
N4' N 0.9283(9) 0.4049(18) 0.8701(12) 0.036(7) Uiso 0.4 1 d . . P M 2
N5 N 0.5900(3) 0.8123(6) 0.4009(4) 0.030(2) Uani 1 1 d . . . . .
N6 N 0.5095(5) 0.5781(10) 0.5335(6) 0.023(3) Uiso 0.6 1 d . . P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 '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'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 '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
O4 W1 O3 100.5(3) . .
O4 W1 O21 101.0(3) . .
O3 W1 O21 93.6(3) . .
O4 W1 O16 101.1(3) . .
O3 W1 O16 93.1(3) . .
O21 W1 O16 155.3(3) . .
O4 W1 O22 92.7(3) . .
O3 W1 O22 166.6(3) . .
O21 W1 O22 86.0(3) . .
O16 W1 O22 82.1(3) . .
O4 W1 O5 171.9(3) . .
O3 W1 O5 85.5(3) . .
O21 W1 O5 73.0(3) . .
O16 W1 O5 83.8(3) . .
O22 W1 O5 81.6(3) . .
O46 W2 O26 105.7(3) . .
O46 W2 O18 98.3(3) . .
O26 W2 O18 94.5(3) . .
O46 W2 O45 94.4(3) . .
O26 W2 O45 93.0(3) . .
O18 W2 O45 162.9(3) . .
O46 W2 O30 99.9(3) . .
O26 W2 O30 154.2(3) . .
O18 W2 O30 84.4(3) . .
O45 W2 O30 82.2(3) . .
O46 W2 O27 169.2(3) . .
O26 W2 O27 84.4(3) . .
O18 W2 O27 84.5(3) . .
O45 W2 O27 81.0(3) . .
O30 W2 O27 69.9(3) . .
O17 W3 O25 105.4(4) . .
O17 W3 O18 97.1(3) . .
O25 W3 O18 92.9(3) . .
O17 W3 O14 95.9(3) . .
O25 W3 O14 94.6(3) . .
O18 W3 O14 162.7(3) . .
O17 W3 O15 100.5(3) . .
O25 W3 O15 154.1(3) . .
O18 W3 O15 83.6(3) . .
O14 W3 O15 82.9(3) . .
O17 W3 O11 169.7(3) . .
O25 W3 O11 84.3(3) . .
O18 W3 O11 85.6(3) . .
O14 W3 O11 79.7(3) . .
O15 W3 O11 69.8(3) . .
O32 W4 O22 100.1(3) . .
O32 W4 O31 101.1(3) . .
O22 W4 O31 95.6(3) . .
O32 W4 O28 101.0(3) . .
O22 W4 O28 94.6(3) . .
O31 W4 O28 153.6(3) . .
O32 W4 O37 92.0(3) . .
O22 W4 O37 167.9(3) . .
O31 W4 O37 82.1(3) . .
O28 W4 O37 82.8(3) . .
O32 W4 O33 170.9(3) . .
O22 W4 O33 86.7(3) . .
O31 W4 O33 72.1(3) . .
O28 W4 O33 84.3(3) . .
O37 W4 O33 81.2(3) . .
O8 W5 O6 102.0(3) . .
O8 W5 O14 103.3(3) . .
O6 W5 O14 95.8(3) . .
O8 W5 O9 99.5(3) . .
O6 W5 O9 94.0(3) . .
O14 W5 O9 152.7(3) . .
O8 W5 O2 91.5(3) . .
O6 W5 O2 166.4(3) . .
O14 W5 O2 82.4(3) . .
O9 W5 O2 82.0(3) . .
O8 W5 O12 169.0(3) . .
O6 W5 O12 86.4(3) . .
O14 W5 O12 82.6(3) . .
O9 W5 O12 72.6(3) . .
O2 W5 O12 80.0(2) . .
O44 W6 O38 103.4(3) . .
O44 W6 O45 102.9(3) . .
O38 W6 O45 94.1(3) . .
O44 W6 O40 98.9(3) . .
O38 W6 O40 93.9(3) . .
O45 W6 O40 154.4(3) . .
O44 W6 O42 93.0(3) . .
O38 W6 O42 163.6(3) . .
O45 W6 O42 83.4(3) . .
O40 W6 O42 82.0(3) . .
O44 W6 O39 167.2(3) . .
O38 W6 O39 86.9(3) . .
O45 W6 O39 83.8(3) . .
O40 W6 O39 72.4(3) . .
O42 W6 O39 76.7(2) . .
O24 W7 O1 105.6(4) . .
O24 W7 O23 96.2(3) . .
O1 W7 O23 93.9(3) . .
O24 W7 O13 96.9(3) . .
O1 W7 O13 94.4(3) . .
O23 W7 O13 162.0(3) . .
O24 W7 O21 99.9(3) . .
O1 W7 O21 154.5(3) . .
O23 W7 O21 81.8(3) . .
O13 W7 O21 83.9(3) . .
O24 W7 O5 169.6(3) . .
O1 W7 O5 84.6(3) . .
O23 W7 O5 85.3(2) . .
O13 W7 O5 79.7(2) . .
O21 W7 O5 70.1(3) . .
O34 W8 O35 106.7(3) . .
O34 W8 O23 98.5(3) . .
O35 W8 O23 94.8(3) . .
O34 W8 O20 94.0(3) . .
O35 W8 O20 92.9(3) . .
O23 W8 O20 162.7(3) . .
O34 W8 O31 97.9(3) . .
O35 W8 O31 155.2(3) . .
O23 W8 O31 84.5(3) . .
O20 W8 O31 82.1(3) . .
O34 W8 O33 166.6(3) . .
O35 W8 O33 86.1(3) . .
O23 W8 O33 84.1(3) . .
O20 W8 O33 81.0(2) . .
O31 W8 O33 69.2(3) . .
O36 W9 O2 101.9(3) . .
O36 W9 O15 100.8(3) . .
O2 W9 O15 93.0(3) . .
O36 W9 O16 102.3(3) . .
O2 W9 O16 93.7(3) . .
O15 W9 O16 154.0(3) . .
O36 W9 O19 93.1(3) . .
O2 W9 O19 164.9(3) . .
O15 W9 O19 84.3(3) . .
O16 W9 O19 82.7(3) . .
O36 W9 O11 170.9(3) . .
O2 W9 O11 84.5(3) . .
O15 W9 O11 72.2(3) . .
O16 W9 O11 83.5(3) . .
O19 W9 O11 80.5(3) . .
O47 W10 O37 101.3(3) . .
O47 W10 O20 103.2(3) . .
O37 W10 O20 93.5(3) . .
O47 W10 O40 99.5(3) . .
O37 W10 O40 94.1(3) . .
O20 W10 O40 154.1(3) . .
O47 W10 O43 96.7(3) . .
O37 W10 O43 162.0(3) . .
O20 W10 O43 83.0(3) . .
O40 W10 O43 82.1(3) . .
O47 W10 O39 169.7(3) . .
O37 W10 O39 85.8(3) . .
O20 W10 O39 83.7(3) . .
O40 W10 O39 72.3(3) . .
O43 W10 O39 76.3(3) . .
O29 W11 O19 100.4(3) . .
O29 W11 O30 100.5(3) . .
O19 W11 O30 97.0(3) . .
O29 W11 O28 102.3(3) . .
O19 W11 O28 94.6(3) . .
O30 W11 O28 152.1(3) . .
O29 W11 O38 92.0(3) . .
O19 W11 O38 167.6(3) . .
O30 W11 O38 80.7(3) . .
O28 W11 O38 82.6(3) . .
O29 W11 O27 170.5(3) . .
O19 W11 O27 86.7(3) . .
O30 W11 O27 72.2(3) . .
O28 W11 O27 83.2(3) . .
O38 W11 O27 80.9(2) . .
O10 W12 O7 102.3(3) . .
O10 W12 O13 101.8(3) . .
O7 W12 O13 95.0(3) . .
O10 W12 O9 102.3(3) . .
O7 W12 O9 94.2(3) . .
O13 W12 O9 151.8(3) . .
O10 W12 O3 90.6(3) . .
O7 W12 O3 167.0(3) . .
O13 W12 O3 82.7(3) . .
O9 W12 O3 82.4(3) . .
O10 W12 O12 169.6(3) . .
O7 W12 O12 87.0(3) . .
O13 W12 O12 81.6(3) . .
O9 W12 O12 72.3(3) . .
O3 W12 O12 80.0(3) . .
O27 Se1 O39 100.8(3) . .
O27 Se1 O33 102.4(3) . .
O39 Se1 O33 99.5(3) . .
O5 Se2 O11 100.9(3) . .
O5 Se2 O12 101.8(3) . .
O11 Se2 O12 101.5(3) . .
O41 Se3 O43 97.7(3) . .
O41 Se3 O42 98.6(3) . .
O43 Se3 O42 105.0(3) . .
O35 Mn1 O26 174.8(3) . 7_666
O35 Mn1 O25 87.2(3) . 7_666
O26 Mn1 O25 91.6(3) 7_666 7_666
O35 Mn1 O1 94.3(3) . .
O26 Mn1 O1 86.5(3) 7_666 .
O25 Mn1 O1 175.9(3) 7_666 .
O35 Mn1 O51 87.3(3) . .
O26 Mn1 O51 87.7(3) 7_666 .
O25 Mn1 O51 89.2(3) 7_666 .
O1 Mn1 O51 87.0(3) . .
O35 Mn1 Cl1 92.16(19) . .
O26 Mn1 Cl1 92.94(19) 7_666 .
O25 Mn1 Cl1 94.42(19) 7_666 .
O1 Mn1 Cl1 89.36(19) . .
O51 Mn1 Cl1 176.3(2) . .
O7 Mn2 O7 98.3(4) 2_655 .
O7 Mn2 O41 175.8(3) 2_655 7_666
O7 Mn2 O41 85.6(3) . 7_666
O7 Mn2 O41 85.6(3) 2_655 8_465
O7 Mn2 O41 175.8(3) . 8_465
O41 Mn2 O41 90.4(4) 7_666 8_465
O7 Mn2 O6 89.6(2) 2_655 2_655
O7 Mn2 O6 96.3(2) . 2_655
O41 Mn2 O6 88.6(3) 7_666 2_655
O41 Mn2 O6 85.1(3) 8_465 2_655
O7 Mn2 O6 96.3(2) 2_655 .
O7 Mn2 O6 89.6(2) . .
O41 Mn2 O6 85.1(3) 7_666 .
O41 Mn2 O6 88.6(3) 8_465 .
O6 Mn2 O6 171.0(4) 2_655 .
O59 Na1 O58 96.9(10) . .
O59 Na1 O57 94.0(8) . .
O58 Na1 O57 105.1(8) . .
O59 Na1 O17 93.6(7) . 8_566
O58 Na1 O17 125.6(8) . 8_566
O57 Na1 O17 127.3(9) . 8_566
O59 Na1 Na2 94.9(7) . .
O58 Na1 Na2 32.5(4) . .
O57 Na1 Na2 72.9(5) . .
O17 Na1 Na2 157.5(7) 8_566 .
O17 Na1' N6 95.3(10) 8_566 8_566
O44 Na2 O34 163.3(4) . 6_566
O44 Na2 O58 91.4(4) . .
O34 Na2 O58 99.0(4) 6_566 .
O44 Na2 O52 89.4(3) . .
O34 Na2 O52 81.0(3) 6_566 .
O58 Na2 O52 176.6(6) . .
O44 Na2 O55 88.6(3) . .
O34 Na2 O55 78.2(3) 6_566 .
O58 Na2 O55 91.1(5) . .
O52 Na2 O55 92.3(4) . .
O44 Na2 O53 84.0(3) . .
O34 Na2 O53 110.0(4) 6_566 .
O58 Na2 O53 83.4(5) . .
O52 Na2 O53 93.3(4) . .
O55 Na2 O53 170.7(4) . .
O44 Na2 Na1 64.4(3) . .
O34 Na2 Na1 129.9(4) 6_566 .
O58 Na2 Na1 34.8(5) . .
O52 Na2 Na1 143.6(4) . .
O55 Na2 Na1 110.8(4) . .
O53 Na2 Na1 60.8(4) . .
O63 Na3 O64 168.2(11) . .
O63 Na3 O47 84.6(9) . .
O64 Na3 O47 105.7(7) . .
O63 Na3 O60 93.7(12) . .
O64 Na3 O60 79.4(10) . .
O47 Na3 O60 97.9(9) . .
O63 Na3 O61 83.3(9) . .
O64 Na3 O61 88.8(7) . .
O47 Na3 O61 157.0(9) . .
O60 Na3 O61 102.4(10) . .
O63 Na3 Na3 133.8(8) . 2_756
O64 Na3 Na3 57.7(6) . 2_756
O47 Na3 Na3 62.3(6) . 2_756
O60 Na3 Na3 120.5(11) . 2_756
O61 Na3 Na3 114.6(9) . 2_756
O63 Na3 O47 86.4(9) . 2_756
O64 Na3 O47 101.4(7) . 2_756
O47 Na3 O47 76.8(6) . 2_756
O60 Na3 O47 174.7(11) . 2_756
O61 Na3 O47 82.9(6) . 2_756
Na3 Na3 O47 56.7(5) 2_756 2_756
Mn1 Cl1 Mn1 180.0 . 7_666
W7 O1 Mn1 136.1(4) . .
W9 O2 W5 143.3(4) . .
W1 O3 W12 142.3(4) . .
Se2 O5 W1 131.2(3) . .
Se2 O5 W7 116.9(3) . .
W1 O5 W7 95.2(3) . .
W5 O6 Mn2 131.4(4) . .
W12 O7 Mn2 131.9(3) . .
W12 O9 W5 120.8(4) . .
Se2 O11 W3 117.1(4) . .
Se2 O11 W9 131.0(4) . .
W3 O11 W9 95.2(2) . .
Se2 O12 W5 130.4(3) . .
Se2 O12 W12 129.7(4) . .
W5 O12 W12 92.2(2) . .
W12 O13 W7 154.7(4) . .
W5 O14 W3 154.3(4) . .
W9 O15 W3 120.9(3) . .
W9 O16 W1 149.3(4) . .
W3 O17 Na1' 121.5(8) . 8_465
W3 O17 Na1 125.2(5) . 8_465
W2 O18 W3 152.8(4) . .
W11 O19 W9 167.8(4) . .
W10 O20 W8 143.3(4) . .
W1 O21 W7 119.8(4) . .
W4 O22 W1 168.1(5) . .
W8 O23 W7 153.3(5) . .
W3 O25 Mn1 140.0(3) . 7_666
W2 O26 Mn1 139.1(3) . 7_666
Se1 O27 W11 134.3(4) . .
Se1 O27 W2 116.9(4) . .
W11 O27 W2 96.0(2) . .
W4 O28 W11 164.1(4) . .
W11 O30 W2 121.9(3) . .
W4 O31 W8 122.1(4) . .
Se1 O33 W4 133.8(4) . .
Se1 O33 W8 117.4(4) . .
W4 O33 W8 96.6(3) . .
W8 O34 Na2 163.7(4) . 6_565
W8 O35 Mn1 136.5(4) . .
W10 O37 W4 141.9(4) . .
W6 O38 W11 141.3(4) . .
Se1 O39 W6 126.9(3) . .
Se1 O39 W10 128.3(4) . .
W6 O39 W10 94.1(2) . .
W10 O40 W6 120.4(3) . .
Se3 O41 Mn2 123.7(4) . 7_666
Se3 O42 W6 128.7(4) . .
Se3 O43 W10 130.3(4) . .
W6 O44 Na2 143.4(4) . .
W6 O45 W2 142.8(4) . .
W10 O47 Na3 159.4(6) . .
W10 O47 Na3 138.5(5) . 2_756
Na3 O47 Na3 61.0(7) . 2_756
Na2 O58 Na1 112.7(8) . .
Na3 O64 Na3 64.5(12) 2_756 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O4 1.723(8) .
W1 O3 1.785(6) .
W1 O21 1.876(6) .
W1 O16 1.917(7) .
W1 O22 2.068(6) .
W1 O5 2.284(7) .
W2 O46 1.733(7) .
W2 O26 1.766(7) .
W2 O18 1.892(6) .
W2 O45 1.990(6) .
W2 O30 2.020(8) .
W2 O27 2.299(7) .
W3 O17 1.712(7) .
W3 O25 1.785(7) .
W3 O18 1.907(6) .
W3 O14 1.956(6) .
W3 O15 2.022(8) .
W3 O11 2.295(7) .
W4 O32 1.727(8) .
W4 O22 1.791(6) .
W4 O31 1.882(6) .
W4 O28 1.897(7) .
W4 O37 2.076(6) .
W4 O33 2.272(8) .
W5 O8 1.747(6) .
W5 O6 1.765(7) .
W5 O14 1.882(7) .
W5 O9 1.932(7) .
W5 O2 2.105(7) .
W5 O12 2.305(6) .
W6 O44 1.720(6) .
W6 O38 1.804(7) .
W6 O45 1.861(7) .
W6 O40 1.941(7) .
W6 O42 2.092(7) .
W6 O39 2.286(6) .
W7 O24 1.716(7) .
W7 O1 1.785(8) .
W7 O23 1.919(6) .
W7 O13 1.927(6) .
W7 O21 2.035(7) .
W7 O5 2.299(6) .
W8 O34 1.726(7) .
W8 O35 1.786(8) .
W8 O23 1.895(6) .
W8 O20 2.004(6) .
W8 O31 2.021(7) .
W8 O33 2.302(7) .
W9 O36 1.712(7) .
W9 O2 1.802(6) .
W9 O15 1.874(8) .
W9 O16 1.914(7) .
W9 O19 2.084(6) .
W9 O11 2.295(7) .
W10 O47 1.727(7) .
W10 O37 1.804(7) .
W10 O20 1.857(6) .
W10 O40 1.928(7) .
W10 O43 2.057(8) .
W10 O39 2.301(7) .
W11 O29 1.736(7) .
W11 O19 1.794(6) .
W11 O30 1.883(8) .
W11 O28 1.917(7) .
W11 O38 2.093(6) .
W11 O27 2.293(7) .
W12 O10 1.722(8) .
W12 O7 1.772(7) .
W12 O13 1.897(6) .
W12 O9 1.913(6) .
W12 O3 2.134(7) .
W12 O12 2.335(7) .
Se1 O27 1.701(6) .
Se1 O39 1.701(6) .
Se1 O33 1.710(8) .
Se2 O5 1.699(7) .
Se2 O11 1.700(6) .
Se2 O12 1.701(6) .
Se3 O41 1.666(8) .
Se3 O43 1.713(7) .
Se3 O42 1.727(6) .
Mn1 O35 2.150(7) .
Mn1 O26 2.154(7) 7_666
Mn1 O25 2.172(7) 7_666
Mn1 O1 2.180(7) .
Mn1 O51 2.201(7) .
Mn1 Cl1 2.5762(16) .
Mn2 O7 2.127(7) 2_655
Mn2 O7 2.127(7) .
Mn2 O41 2.135(7) 7_666
Mn2 O41 2.135(7) 8_465
Mn2 O6 2.165(6) 2_655
Mn2 O6 2.165(6) .
Na1 O59 2.34(3) .
Na1 O58 2.54(3) .
Na1 O57 2.73(2) .
Na1 O17 2.82(2) 8_566
Na1 Na2 4.10(2) .
Na1' O17 2.73(3) 8_566
Na1' N6 3.04(4) 8_566
Na2 O44 2.291(8) .
Na2 O34 2.322(8) 6_566
Na2 O58 2.387(16) .
Na2 O52 2.399(8) .
Na2 O55 2.447(12) .
Na2 O53 2.548(14) .
Na3 O63 2.03(3) .
Na3 O64 2.25(3) .
Na3 O47 2.300(18) .
Na3 O60 2.33(4) .
Na3 O61 2.38(2) .
Na3 Na3 2.41(3) 2_756
Na3 O47 2.436(18) 2_756
Cl1 Mn1 2.5763(15) 7_666
O17 Na1' 2.73(3) 8_465
O17 Na1 2.82(2) 8_465
O25 Mn1 2.172(7) 7_666
O26 Mn1 2.154(7) 7_666
O34 Na2 2.322(8) 6_565
O41 Mn2 2.135(7) 7_666
O47 Na3 2.436(18) 2_756
O64 Na3 2.25(3) 2_756
O65 O65' 0.73(3) .
N6 Na1' 3.04(4) 8_465
