#=======================================================================
data_global

_audit_update_record
;
2013-09-04 # Formatted by publCIF
;
#=======================================================================

_audit_creation_method                   'Jana2006 Version : 01/05/2013'


# 1. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic            ?
_journal_date_to_coeditor                ?
_journal_date_from_coeditor              ?
_journal_date_accepted                   ?
_journal_date_printers_first             ?
_journal_date_printers_final             ?
_journal_date_proofs_out                 ?
_journal_date_proofs_in                  ?
_journal_coeditor_name                   ?
_journal_coeditor_code                   ?
_journal_coeditor_notes
?
_journal_techeditor_code                 ?
_journal_paper_category                  ?
_journal_techeditor_notes
?
_journal_coden_ASTM                      ?
_journal_name_full                       'Acta Crystallographica Section C'
_journal_year                            ?
_journal_volume                          ?
_journal_issue                           ?
_journal_page_first                      ?
_journal_page_last                       ?
_journal_suppl_publ_number               ?
_journal_suppl_publ_pages                ?

#=======================================================================

# 2. SUBMISSION DETAILS

_publ_contact_author_name                ?
_publ_contact_author_address
?
_publ_contact_author_email               ?
_publ_contact_author_fax                 ?
_publ_contact_author_phone               ?

_publ_requested_journal                  'Acta Crystallographica Section C'
_publ_requested_category                 ?

_publ_contact_letter
?

#=======================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title
;
Title (type here to add)
;

_publ_section_title_footnote
.
loop_
 _publ_author_name
 _publ_author_footnote
 _publ_author_address
 ?       # name
; ?      # footnote
;
; ?      # address
;

#=======================================================================

# 4. TEXT

_publ_section_synopsis
.
_publ_section_abstract
;
(type here to add abstract)
;

_publ_section_comment
;
(type here to add)
;

_publ_section_introduction
?
_publ_section_experimental
?
_publ_section_exptl_prep
;
(type here to add preparation details)
;

_publ_section_exptl_refinement
;
(type here to add refinement details)
;

_publ_section_exptl_solution
?
_publ_section_discussion
?
_publ_section_acknowledgements
;
(type here to add acknowledgements)
;

_publ_section_references
;
Petricek, V., Dusek, M. & Palatinus, L. (2006). Jana2006. Structure
Determination Software Programs. Institute of Physics, Praha, Czech Republic.

Palatinus, L. & Chapuis, G. (2007). J. Appl. Cryst. 40, 786--790.

# enable this reference if Diamond ver. 2 was used for visualization
#Brandenburg, K. (1999). DIAMOND. Version. 2.1c. #Crystal Impact GbR,
Bonn, Germany.

# enable this reference if Diamond ver. 3 was used for visualization
#Brandenburg, K. & Putz, H. (2005). DIAMOND Version 3. #Crystal Impact
GbR, Postfach 1251, D-53002 Bonn, Germany.

# enable this reference if SIR97 was used for solving of the structure
#Altomare, A., Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C.,
#Guagliardi, A., Moliterni, A. G. G., Polidori, G., Spagna, R. (1997).
#SIR97. A Package for Crystal Structure Solution by Direct Methods #and
Refinement, Bari, Rome, Italy.

# use this reference if SIR2002 was used for solving of the structure
#Burla, M.C., Camalli, M., Carrozzini, B., Cascarano, G., Giacovazzo, C.,
#Polidori, G., Spagna, R. #SIR2002: the program, J. Appl. Cryst,
(2003). 36, 1103.

# enable this reference if bond valences were calculated #Brown, I. D. (1996).
J. Appl. Cryst. 29, 479--480.

# enable this reference if X-SHAPE wase used for crystal shape
refinement #Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany.

# enable this reference if Flack coefficient was refined #Flack, H. D. (1983).
Acta Cryst. A39, 876--881.
;
_publ_section_figure_captions
;

;

_publ_section_table_legends
?

#=======================================================================
data_I


_refine_ls_matrix_type   full
#Added by publCIF




_atom_sites_solution_hydrogens   difmap
#Added by publCIF




_atom_sites_solution_secondary   difmap
#Added by publCIF




_atom_sites_solution_primary   direct
#Added by publCIF


#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic
?
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Cl1 H4 Na7 O20 S4 U1'
_chemical_formula_weight                 886.7
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting                   monoclinic
_symmetry_space_group_name_H-M           'C 1 2/c 1'
_symmetry_space_group_name_Hall          '-C 2yc'
_symmetry_Int_Tables_number              15

loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
 1   x,y,z
 2   -x,y,-z+1/2
 3   -x,-y,-z
 4   x,-y,z+1/2
 5   x+1/2,y+1/2,z
 6   -x+1/2,y+1/2,-z+1/2
 7   -x+1/2,-y+1/2,-z
 8   x+1/2,-y+1/2,z+1/2

_cell_length_a                           21.1507(6)
_cell_length_b                           5.3469(12)
_cell_length_c                           34.6711(9)
_cell_angle_alpha                        90
_cell_angle_beta                         104.913(3)
_cell_angle_gamma                        90
_cell_volume                             3788.91(17)

loop_
 _jana_cell_twin_matrix_id
 _jana_cell_twin_volume_fraction
 _jana_cell_twin_matrix_1_1
 _jana_cell_twin_matrix_1_2
 _jana_cell_twin_matrix_1_3
 _jana_cell_twin_matrix_2_1
 _jana_cell_twin_matrix_2_2
 _jana_cell_twin_matrix_2_3
 _jana_cell_twin_matrix_3_1
 _jana_cell_twin_matrix_3_2
 _jana_cell_twin_matrix_3_3
 ? ? ? ? ? ? ? ? ? ? ?
_cell_formula_units_Z                    8

_cell_measurement_reflns_used            13395
_cell_measurement_theta_min              3.56
_cell_measurement_theta_max              29.13
_cell_measurement_temperature            320.00(10)
_cell_special_details
?

_exptl_crystal_density_diffrn            3.1077
_exptl_crystal_density_meas              ?
_exptl_crystal_density_method            ?
_exptl_crystal_F_000                     3312

_exptl_absorpt_coefficient_mu            9.411
_exptl_crystal_description               ''
_exptl_crystal_size_max                  ?
_exptl_crystal_size_mid                  ?
_exptl_crystal_size_min                  ?
_exptl_crystal_size_rad                  ?
_exptl_crystal_colour                    ''
_exptl_absorpt_correction_type           multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min          0.514
_exptl_absorpt_correction_T_max          1

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details                   ?

_diffrn_ambient_temperature              320
_diffrn_source                           ?
_diffrn_source_power                     ?
_diffrn_source_voltage                   ?
_diffrn_source_current                   ?
_diffrn_radiation_type                   'Mo K\a'
_diffrn_radiation_source                 'Enhance (Mo) X-ray Source'
_diffrn_radiation_wavelength             0.7107
_diffrn_radiation_monochromator          'graphite'
_diffrn_measurement_device               'four-cycle diffractometer'
_diffrn_measurement_device_type          'Xcalibur, Atlas, Gemini ultra'
_diffrn_detector                         ?
_diffrn_detector_area_resol_mean         10.3784
_diffrn_measurement_method               'ω scans'
_diffrn_measurement_specimen_support     ?

_diffrn_reflns_number                    24440
_diffrn_reflns_theta_min                 3.52
_diffrn_reflns_theta_max                 29.41
_diffrn_reflns_theta_full                27.76
_diffrn_measured_fraction_theta_max      0.9
_diffrn_measured_fraction_theta_full     0.98
_diffrn_reflns_av_R_equivalents          0.0249
_diffrn_reflns_av_sigmaI/netI            0.0191
_diffrn_reflns_limit_h_min               -25
_diffrn_reflns_limit_h_max               26
_diffrn_reflns_limit_k_min               -7
_diffrn_reflns_limit_k_max               7
_diffrn_reflns_limit_l_min               -46
_diffrn_reflns_limit_l_max               43
_diffrn_reflns_reduction_process         ?

_diffrn_standards_number                 ?
_diffrn_standards_interval_count         ?
_diffrn_standards_interval_time          ?
_diffrn_standards_decay_%                ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
  ? ? ?

_diffrn_radiation_probe                  x-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details
?

_reflns_number_total                     4715
_reflns_number_gt                        4268
_reflns_threshold_expression             'I>3σ(I)'

_refine_ls_structure_factor_coef         Fsqd
_refine_ls_R_factor_gt                   0.0163
_refine_ls_wR_factor_gt                  0.0383
_refine_ls_R_factor_all                  0.0205
_refine_ls_wR_factor_ref                 0.0398
_refine_ls_goodness_of_fit_ref           1.15
_refine_ls_goodness_of_fit_gt            1.17
_refine_ls_restrained_S_gt               ?
_refine_ls_restrained_S_all              ?
_refine_ls_number_reflns                 4715
_refine_ls_number_parameters             312
_refine_ls_number_restraints             6
_refine_ls_number_constraints            4
_refine_ls_weighting_scheme              sigma
_refine_ls_weighting_details             'w=1/(σ²(I)+0.0004I²)'
_refine_ls_hydrogen_treatment            refall
_refine_ls_shift/su_max                  0.0044
_refine_ls_shift/su_mean                 0.0003
_refine_diff_density_max                 0.70
_refine_diff_density_min                 -0.86
_refine_ls_extinction_method             'none'
_refine_ls_extinction_coef               ?
_refine_ls_abs_structure_details         ?
_refine_ls_abs_structure_Flack           ?
_refine_ls_abs_structure_Rogers          ?

loop_
 _atom_type_symbol
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 Cl  0.1484  0.1585
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 H   0.0000  0.0000
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Na  0.0362  0.0249
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 O   0.0106  0.0060
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 S   0.1246  0.1234
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 U  -9.6767  9.6646
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_solution            ?
_computing_structure_refinement          ?
_computing_molecular_graphics            ?
_computing_publication_material          ?

#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_U_iso_or_equiv
 _atom_site_site_symmetry_mutiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  Na1 Na 0.5 0.5 0.5 Uani 0.0168(5) 4 1 d . . .
  Na2 Na 0.5 0.3688(3) 0.75 Uani 0.0261(6) 4 1 d . . .
  Na3 Na 0.24344(6) 0.8755(2) 0.66014(4) Uani 0.0236(4) 8 1 d . . .
  Na4 Na 0.31919(7) 0.4131(2) 0.75567(4) Uani 0.0293(4) 8 1 d . . .
  Na5 Na 0.37872(6) 0.9872(2) 0.50389(3) Uani 0.0213(4) 8 1 d . . .
  Na6 Na 0.69460(6) 0.7427(2) 0.58061(3) Uani 0.0273(4) 8 1 d . . .
  Na7 Na 0.43332(6) 0.4189(2) 0.57801(4) Uani 0.0230(4) 8 1 d . . .
  Na8 Na 0.34817(6) 0.3812(2) 0.65853(4) Uani 0.0268(4) 8 1 d . . .
  U U 0.519790(4) 0.889263(17) 0.666875(3) Uani 0.00965(3) 8 1 d . . .
  S1 S 0.39880(3) 0.82919(12) 0.725237(18) Uani 0.01116(19) 8 1 d . . .
  S2 S 0.19437(3) 0.38979(12) 0.679982(19) Uani 0.0128(2) 8 1 d . . .
  S3 S 0.35667(3) 0.93456(12) 0.605180(19) Uani 0.0124(2) 8 1 d . . .
  S4 S 0.52816(3) 0.97992(12) 0.565139(18) Uani 0.01085(19) 8 1 d . . .
  Cl Cl 0.35728(4) 1.49234(14) 0.49530(2) Uani 0.0255(2) 8 1 d . . .
  O1 O 0.39670(10) 1.1009(3) 0.72350(6) Uani 0.0211(7) 8 1 d . . .
  O2 O 0.45053(9) 0.7322(4) 0.70702(6) Uani 0.0211(7) 8 1 d . . .
  O3 O 0.33715(9) 0.7135(4) 0.70406(6) Uani 0.0187(6) 8 1 d . . .
  O4 O 0.41507(9) 0.7338(3) 0.76693(5) Uani 0.0161(6) 8 1 d . . .
  O5 O 0.19330(11) 0.6255(4) 0.70048(7) Uani 0.0263(8) 8 1 d . . .
  O6 O 0.22590(10) 0.4217(4) 0.64714(6) Uani 0.0204(7) 8 1 d . . .
  O7 O 0.22999(10) 0.1999(4) 0.70751(6) Uani 0.0290(7) 8 1 d . . .
  O8 O 0.12656(9) 0.2995(4) 0.66314(6) Uani 0.0206(6) 8 1 d . . .
  O9 O 0.29776(9) 1.0279(4) 0.61533(6) Uani 0.0199(7) 8 1 d . . .
  O10 O 0.36035(11) 1.0275(4) 0.56665(6) Uani 0.0259(7) 8 1 d . . .
  O11 O 0.36047(10) 0.6618(4) 0.60765(6) Uani 0.0221(7) 8 1 d . . .
  O12 O 0.41380(9) 1.0459(3) 0.63616(6) Uani 0.0167(6) 8 1 d . . .
  O13 O 0.50291(10) 0.7262(4) 0.55835(6) Uani 0.0218(7) 8 1 d . . .
  O14 O 0.48627(10) 1.1551(4) 0.53732(6) Uani 0.0189(6) 8 1 d . . .
  O15 O 0.59554(9) 0.9962(4) 0.56187(6) Uani 0.0193(7) 8 1 d . . .
  O16 O 0.52671(9) 1.0643(3) 0.60633(5) Uani 0.0156(6) 8 1 d . . .
  O17 O 0.50283(9) 0.5996(3) 0.64233(6) Uani 0.0160(6) 8 1 d . . .
  O18 O 0.53365(10) 1.1801(4) 0.69168(5) Uani 0.0176(6) 8 1 d . . .
  Ow19 O 0.64780(11) 0.4223(4) 0.60943(7) Uani 0.0264(8) 8 1 d . . .
  Ow20 O 0.23476(12) 0.5150(5) 0.53951(8) Uani 0.0400(10) 8 1 d . . .
  H1 H 0.6169(11) 0.483(5) 0.6193(9) Uiso 0.0316 8 1 d . . .
  H2 H 0.2691(13) 0.463(5) 0.5323(12) Uiso 0.048 8 1 d . . .
  H3 H 0.2391(15) 0.674(4) 0.5454(12) Uiso 0.048 8 1 d . . .
  H4 H 0.6332(12) 0.290(5) 0.5952(9) Uiso 0.0316 8 1 d . . .


loop_
 _jana_atom_site_ADP_C_label
 _jana_atom_site_ADP_C_type_symbol
 _jana_atom_site_ADP_C_111
 _jana_atom_site_ADP_C_112
 _jana_atom_site_ADP_C_113
 _jana_atom_site_ADP_C_122
 _jana_atom_site_ADP_C_123
 _jana_atom_site_ADP_C_133
 _jana_atom_site_ADP_C_222
 _jana_atom_site_ADP_C_223
 _jana_atom_site_ADP_C_233
 _jana_atom_site_ADP_C_333
 ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_D_label
 _jana_atom_site_ADP_D_type_symbol
 _jana_atom_site_ADP_D_1111
 _jana_atom_site_ADP_D_1112
 _jana_atom_site_ADP_D_1113
 _jana_atom_site_ADP_D_1122
 _jana_atom_site_ADP_D_1123
 _jana_atom_site_ADP_D_1133
 _jana_atom_site_ADP_D_1222
 _jana_atom_site_ADP_D_1223
 _jana_atom_site_ADP_D_1233
 _jana_atom_site_ADP_D_1333
 _jana_atom_site_ADP_D_2222
 _jana_atom_site_ADP_D_2223
 _jana_atom_site_ADP_D_2233
 _jana_atom_site_ADP_D_2333
 _jana_atom_site_ADP_D_3333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_E_label
 _jana_atom_site_ADP_E_type_symbol
 _jana_atom_site_ADP_E_11111
 _jana_atom_site_ADP_E_11112
 _jana_atom_site_ADP_E_11113
 _jana_atom_site_ADP_E_11122
 _jana_atom_site_ADP_E_11123
 _jana_atom_site_ADP_E_11133
 _jana_atom_site_ADP_E_11222
 _jana_atom_site_ADP_E_11223
 _jana_atom_site_ADP_E_11233
 _jana_atom_site_ADP_E_11333
 _jana_atom_site_ADP_E_12222
 _jana_atom_site_ADP_E_12223
 _jana_atom_site_ADP_E_12233
 _jana_atom_site_ADP_E_12333
 _jana_atom_site_ADP_E_13333
 _jana_atom_site_ADP_E_22222
 _jana_atom_site_ADP_E_22223
 _jana_atom_site_ADP_E_22233
 _jana_atom_site_ADP_E_22333
 _jana_atom_site_ADP_E_23333
 _jana_atom_site_ADP_E_33333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_F_label
 _jana_atom_site_ADP_F_type_symbol
 _jana_atom_site_ADP_F_111111
 _jana_atom_site_ADP_F_111112
 _jana_atom_site_ADP_F_111113
 _jana_atom_site_ADP_F_111122
 _jana_atom_site_ADP_F_111123
 _jana_atom_site_ADP_F_111133
 _jana_atom_site_ADP_F_111222
 _jana_atom_site_ADP_F_111223
 _jana_atom_site_ADP_F_111233
 _jana_atom_site_ADP_F_111333
 _jana_atom_site_ADP_F_112222
 _jana_atom_site_ADP_F_112223
 _jana_atom_site_ADP_F_112233
 _jana_atom_site_ADP_F_112333
 _jana_atom_site_ADP_F_113333
 _jana_atom_site_ADP_F_122222
 _jana_atom_site_ADP_F_122223
 _jana_atom_site_ADP_F_122233
 _jana_atom_site_ADP_F_122333
 _jana_atom_site_ADP_F_123333
 _jana_atom_site_ADP_F_133333
 _jana_atom_site_ADP_F_222222
 _jana_atom_site_ADP_F_222223
 _jana_atom_site_ADP_F_222233
 _jana_atom_site_ADP_F_222333
 _jana_atom_site_ADP_F_223333
 _jana_atom_site_ADP_F_233333
 _jana_atom_site_ADP_F_333333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_site_symmetry_1
 _geom_bond_site_symmetry_2
 _geom_bond_distance
 _geom_bond_publ_flag
  Na1 Cl . 1_545 2.9811(9) ?
  Na1 Cl . 3_676 2.9811(9) ?
  Na1 O13 . . 2.344(2) ?
  Na1 O13 . 3_666 2.344(2) ?
  Na1 O14 . 1_545 2.313(2) ?
  Na1 O14 . 3_676 2.313(2) ?
  Na2 O1 . 1_545 2.576(2) ?
  Na2 O1 . 2_646 2.576(2) ?
  Na2 O2 . . 2.507(2) ?
  Na2 O2 . 2_656 2.507(2) ?
  Na2 O4 . . 2.815(2) ?
  Na2 O4 . 2_656 2.815(2) ?
  Na2 O18 . 1_545 2.520(2) ?
  Na2 O18 . 2_646 2.520(2) ?
  Na3 S2 . . 2.9431(13) ?
  Na3 O3 . . 2.333(2) ?
  Na3 O5 . . 2.373(3) ?
  Na3 O6 . . 2.478(2) ?
  Na3 O6 . 1_565 2.964(2) ?
  Na3 O7 . 1_565 2.455(3) ?
  Na3 O9 . . 2.306(3) ?
  Na3 Ow19 . 5_455 2.327(2) ?
  Na3 H1 . 5_455 2.75(2) ?
  Na3 H4 . 5_455 2.83(2) ?
  Na4 O1 . 1_545 2.768(3) ?
  Na4 O3 . . 2.505(3) ?
  Na4 O4 . . 2.607(2) ?
  Na4 O5 . 6_546 2.225(3) ?
  Na4 O7 . . 2.455(2) ?
  Na4 O7 . 6_556 2.397(3) ?
  Na5 Cl . 1_545 2.6883(12) ?
  Na5 Cl . . 2.7420(12) ?
  Na5 O10 . . 2.316(3) ?
  Na5 O14 . . 2.443(2) ?
  Na5 O15 . 3_676 2.479(3) ?
  Na5 Ow20 . 7_566 2.484(2) ?
  Na5 H3 . 7_566 2.76(3) ?
  Na6 Cl . 3_676 2.8676(12) ?
  Na6 O6 . 5_555 2.427(2) ?
  Na6 O9 . 5_545 2.485(2) ?
  Na6 O15 . . 2.439(2) ?
  Na6 Ow19 . . 2.329(3) ?
  Na6 Ow20 . 5_555 2.345(3) ?
  Na6 H1 . . 2.75(3) ?
  Na6 H2 . 5_555 2.84(3) ?
  Na6 H3 . 5_555 2.88(3) ?
  Na6 H4 . . 2.86(3) ?
  Na7 Cl . 1_545 2.9309(14) ?
  Na7 O10 . 1_545 2.569(2) ?
  Na7 O11 . . 2.435(3) ?
  Na7 O12 . 1_545 2.940(2) ?
  Na7 O13 . . 2.418(3) ?
  Na7 O14 . 1_545 2.460(3) ?
  Na7 O16 . 1_545 2.732(2) ?
  Na7 O17 . . 2.526(2) ?
  Na8 O1 . 1_545 2.680(2) ?
  Na8 O3 . . 2.427(3) ?
  Na8 O6 . . 2.523(2) ?
  Na8 O9 . 1_545 2.475(2) ?
  Na8 O11 . . 2.381(3) ?
  Na8 O12 . 1_545 2.509(2) ?
  U O2 . . 2.416(2) ?
  U O4 . 2_656 2.4958(16) ?
  U O8 . 5_555 2.345(2) ?
  U O12 . . 2.3732(17) ?
  U O16 . . 2.3371(18) ?
  U O17 . . 1.7590(17) ?
  U O18 . . 1.765(2) ?
  S1 O1 . . 1.4542(17) ?
  S1 O2 . . 1.490(2) ?
  S1 O3 . . 1.4592(19) ?
  S1 O4 . . 1.4872(18) ?
  S2 O5 . . 1.450(2) ?
  S2 O6 . . 1.470(2) ?
  S2 O7 . . 1.463(2) ?
  S2 O8 . . 1.4834(19) ?
  S3 O9 . . 1.467(2) ?
  S3 O10 . . 1.446(2) ?
  S3 O11 . . 1.462(2) ?
  S3 O12 . . 1.5164(18) ?
  S4 O13 . . 1.455(2) ?
  S4 O14 . . 1.467(2) ?
  S4 O15 . . 1.461(2) ?
  S4 O16 . . 1.5055(19) ?
  S4 H4 . 1_565 2.75(2) ?
  Cl H2 . 1_565 2.52(3) ?
  Cl H3 . 7_576 2.80(3) ?
  O1 O2 . . 2.417(3) ?
  O1 O3 . . 2.428(3) ?
  O1 O4 . . 2.443(2) ?
  O1 O18 . 2_656 2.961(2) ?
  O2 O3 . . 2.376(3) ?
  O2 O4 . . 2.383(3) ?
  O2 O4 . 2_656 2.752(3) ?
  O2 O12 . . 2.911(3) ?
  O2 O17 . . 2.834(3) ?
  O3 O4 . . 2.373(2) ?
  O4 O8 . 6_556 2.806(3) ?
  O4 O18 . 2_656 2.851(3) ?
  O5 O6 . . 2.396(3) ?
  O5 O7 . . 2.396(3) ?
  O5 O8 . . 2.401(3) ?
  O6 O7 . . 2.388(3) ?
  O6 O8 . . 2.398(3) ?
  O6 O9 . 1_545 2.970(3) ?
  O7 O8 . . 2.388(3) ?
  O8 O16 . 5_445 2.864(2) ?
  O8 O17 . 5_445 2.746(3) ?
  O8 Ow19 . 5_445 2.858(3) ?
  O8 H1 . 5_445 2.25(3) ?
  O9 O10 . . 2.399(3) ?
  O9 O11 . . 2.418(3) ?
  O9 O12 . . 2.375(3) ?
  O10 O11 . . 2.417(3) ?
  O10 O12 . . 2.386(3) ?
  O11 O12 . . 2.427(3) ?
  O11 O17 . . 2.959(3) ?
  O11 H3 . . 2.91(3) ?
  O12 O16 . . 2.838(3) ?
  O12 O18 . . 2.851(2) ?
  O13 O14 . . 2.405(3) ?
  O13 O15 . . 2.411(3) ?
  O13 O16 . . 2.420(3) ?
  O13 O17 . . 2.990(3) ?
  O14 O15 . . 2.403(3) ?
  O14 O16 . . 2.375(3) ?
  O15 O16 . . 2.405(3) ?
  O15 Ow19 . 1_565 2.862(3) ?
  O15 H4 . 1_565 1.99(3) ?
  O16 O17 . . 2.883(2) ?
  O16 O18 . . 2.990(3) ?
  O16 H1 . 1_565 2.90(2) ?
  O16 H4 . 1_565 2.67(2) ?
  O17 O18 . 1_545 2.794(3) ?
  O17 H1 . . 2.80(3) ?
  Ow19 H1 . . 0.87(3) ?
  Ow19 H4 . . 0.87(3) ?
  Ow20 H2 . . 0.87(3) ?
  Ow20 H3 . . 0.87(2) ?
  H1 H4 . . 1.42(4) ?
  H2 H3 . . 1.42(4) ?

loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_2
 _geom_angle_site_symmetry_3
 _geom_angle
 _geom_angle_publ_flag
 ? ? ? ? ? ? ? ?

loop_
 _geom_torsion_atom_site_label_1
 _geom_torsion_atom_site_label_2
 _geom_torsion_atom_site_label_3
 _geom_torsion_atom_site_label_4
 _geom_torsion_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion
 _geom_torsion_publ_flag
 ? ? ? ? ? ? ? ? ? ?

loop_
 _geom_hbond_atom_site_label_D
 _geom_hbond_atom_site_label_H
 _geom_hbond_atom_site_label_A
 _geom_hbond_site_symmetry_D
 _geom_hbond_site_symmetry_H
 _geom_hbond_site_symmetry_A
 _geom_hbond_distance_DH
 _geom_hbond_distance_HA
 _geom_hbond_distance_DA
 _geom_hbond_angle_DHA
 _geom_hbond_publ_flag
  Ow19 H1 O8 . . 5_555   0.87(3)   2.25(3)   2.858(3)   126.8(19) ?
  Ow20 H2 Cl . . 1_545   0.87(3)   2.52(3)   3.335(3)   155(2) ?
  Ow20 H3 Cl . . 7_576   0.87(2)   2.80(3)   3.314(3)   120(3) ?
  Ow19 H4 S4 . . 1_545   0.87(3)   2.75(2)   3.515(2)   147(2) ?
  Ow19 H4 O15 . . 1_545   0.87(3)   1.99(3)   2.862(3)   177(2) ?
  Ow19 H4 O16 . . 1_545   0.87(3)   2.67(2)   3.177(3)   119(2) ?


#=======================================================================

# 11. STRUCTURE-FACTOR LIST


