# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_dm_80_Co5POM
_audit_block_doi                 10.5517/ccdc.csd.cc1p9m2p
_database_code_depnum_ccdc_archive 'CCDC 1558372'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1021/acsomega.7b02049 2018
2 10.1039/C9CC01534E 2019
loop_
_audit_author_name
_audit_author_address
'DEBAPRASAD MANDAL'
;Indian Institute of Technology Ropar
India
;
_audit_update_record             
;
2023-03-17 deposited with the CCDC.	2023-03-24 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT306_dm_80_Co5POM        
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O33 Check
RESPONSE: These oxygen atoms are coordinated to Na
;
_vrf_PLAT306_dm_80_Co5POM_2      
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O36 Check
RESPONSE: These oxygen atoms are coordinated to Na
;
_vrf_PLAT306_dm_80_Co5POM_3      
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O37 Check
RESPONSE: These oxygen atoms are coordinated to Na
;
_vrf_PLAT306_dm_80_Co5POM_4      
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O38 Check
RESPONSE: These oxygen atoms are coordinated to Na
;
_vrf_PLAT306_dm_80_Co5POM_5      
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O39 Check
RESPONSE: These oxygen atoms are coordinated to Na
;
_vrf_PLAT306_dm_80_Co5POM_6      
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O40 Check
RESPONSE: These oxygen atoms are coordinated to Na
;
_vrf_PLAT306_dm_80_Co5POM_7      
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O41 Check
RESPONSE: These oxygen atoms are coordinated to Na
;
_vrf_PLAT306_dm_80_Co5POM_8      
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O45 Check
RESPONSE: Hydrogen atoms unable locate for this solvent water molecule 
;
_vrf_PLAT355_dm_80_Co5POM        
;
PROBLEM: Long   O-H (X0.82,N0.98A)  O11W     - H11B     .       1.09 Ang.
RESPONSE: These H were placed using riding model from Q peak
;
_vrf_PLAT417_dm_80_Co5POM        
;
PROBLEM: Short Inter D-H..H-D       H1WB     ..H2WB     .       1.97 Ang.
RESPONSE: These H were placed using riding model from Q peak
;
_vrf_PLAT420_dm_80_Co5POM        
;
PROBLEM: D-H Bond Without Acceptor  O11W     --H11B     .     Please Check
RESPONSE: These H were placed using riding model from Q peak
;
_vrf_PLAT420_dm_80_Co5POM_2      
;
PROBLEM: D-H Bond Without Acceptor  O9W      --H9WB     .     Please Check
RESPONSE: These H were placed using riding model from Q peak
;
_vrf_PLAT430_dm_80_Co5POM        
;
PROBLEM: Short Inter D...A Contact  O10      ..O36      .       2.79 Ang.
RESPONSE: These oxygen atoms are coordinated to Na, other oxygen atom is from cl The distance between them is reasonable.
;
_vrf_PLAT919_dm_80_Co5POM        
;
PROBLEM: Reflection # Likely Affected by the Beamstop ...          1 Check
RESPONSE: one reflection is Affected by the Beamstop
;
_vrf_PLAT077_dm_80_Co5POM        
;
PROBLEM: Unitcell Contains Non-integer Number of Atoms ..     Please Check
RESPONSE: Substitutional disorder of W10 and Co3
;
_vrf_PLAT355_dm_80_Co5POM_2      
;
PROBLEM: Long   O-H (X0.82,N0.98A)  O2W      - H2WA     .       1.07 Ang.
RESPONSE: These H were placed using riding model from Q peak
;
_vrf_PLAT430_dm_80_Co5POM_2      
;
PROBLEM: Short Inter D...A Contact  O16      ..O33      .       2.89 Ang.
RESPONSE: These oxygen atoms are coordinated to Na, other oxygen atom is from cl The distance between them is reasonable.
;
# Added during the CSD deposition process: Friday 17 March 2023 02:06 PM
# end Validation Reply Form

_audit_creation_date             2023-03-17
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.02.24 svn.rf166f9f3 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
dmandal@iitrpr.ac.in
_chemical_name_common            Co5POM
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'Co4.884 H30.6 Na10 O103.3 W19.116, 8(H2 O), 0.7(O1)'
_chemical_formula_sum            'Co4.88 H46.60 Na10 O112 W19.11'
_chemical_formula_weight         5871.04
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Co Co 0.3494 0.9721 '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'
Na Na 0.0362 0.0249 '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'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.1010(17)
_cell_length_b                   17.775(2)
_cell_length_c                   21.174(3)
_cell_angle_alpha                90
_cell_angle_beta                 93.628(5)
_cell_angle_gamma                90
_cell_volume                     4920.9(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    12288
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.6
_cell_measurement_theta_min      2.2
_shelx_estimated_absorpt_T_max   0.184
_shelx_estimated_absorpt_T_min   0.085
_exptl_absorpt_coefficient_mu    23.211
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4179
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1008 before and 0.0674 after correction.
The Ratio of minimum to maximum transmission is 0.5604.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    3.962
_exptl_crystal_density_meas      4.005
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             5198
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0554
_diffrn_reflns_av_unetI/netI     0.0298
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            128007
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.634
_diffrn_reflns_theta_min         2.204
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 10.233
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker AXS D8 Venture PHOTON CMOS'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus microfocus tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10609
_reflns_number_total             12288
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'APEX2 (Bruker, 2014); SAINT (Bruker, 2014)'
_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014);XPREP(Sheldrick,2014)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_refine_diff_density_max         1.881
_refine_diff_density_min         -1.734
_refine_diff_density_rms         0.299
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.168
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     675
_refine_ls_number_reflns         12288
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0368
_refine_ls_restrained_S_all      1.168
_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)+(0.0120P)²+118.4696P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0730
_refine_ls_wR_factor_ref         0.0765
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All O(H,H) groups
2. Shared sites
{W10, Co3}
3. Uiso/Uaniso restraints and constraints
Uanis(O3W) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.02
Uanis(W10) = Uanis(Co3)
4. Others
 Sof(Co3)=1-FVAR(1)
 Sof(W10)=FVAR(1)
 Fixed Sof: O3W(0.65) H3WA(0.65) H3WB(0.65) O3WA(0.35)
5.a Everything fixed:
 H43A, H43B, H11A, H11B, H1WA, H1WB, H2WA, H2WB, H3WA, H3WB
5.b Rotating group:
 O4W(H4WA,H4WB), O5W(H5WA,H5WB), O6W(H6WA,H6WB), O7W(H7WA,H7WB), O8W(H8WA,
 H8WB), O9W(H9WA,H9WB), O10W(H10A,H10B)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.44629(3) -1.17182(2) 0.55431(2) 0.02144(8) Uani 1 1 d . . . . .
W2 W 0.28014(3) -1.25721(2) 0.67313(2) 0.02106(8) Uani 1 1 d . . . . .
W3 W 0.56649(3) -1.25974(2) 0.69925(2) 0.01963(8) Uani 1 1 d . . . . .
W4 W 0.33104(3) -1.27544(2) 0.44430(2) 0.01942(8) Uani 1 1 d . . . . .
W5 W 0.57919(3) -1.27820(2) 0.46210(2) 0.01843(8) Uani 1 1 d . . . . .
W6 W 0.70101(3) -1.36753(2) 0.60954(2) 0.01702(8) Uani 1 1 d . . . . .
W7 W 0.56214(3) -1.44275(2) 0.71478(2) 0.01941(8) Uani 1 1 d . . . . .
W8 W 0.27742(3) -1.44375(2) 0.68678(2) 0.02087(8) Uani 1 1 d . . . . .
W9 W 0.16917(3) -1.36600(2) 0.56193(2) 0.02238(9) Uani 1 1 d . . . . .
W10 W 0.45071(4) -1.46141(3) 0.43833(2) 0.0194(2) Uani 0.558(3) 1 d . . P A 5
Co3 Co 0.45071(4) -1.46141(3) 0.43833(2) 0.0194(2) Uani 0.442(3) 1 d . . P A 6
Co1 Co 0.43661(9) -1.37136(7) 0.57592(5) 0.0144(2) Uani 1 1 d . . . . .
Co2 Co 0.68913(10) -1.46411(7) 0.46202(6) 0.0222(3) Uani 1 1 d . . . . .
O1 O 0.4473(5) -1.2869(3) 0.5198(3) 0.0164(12) Uani 1 1 d . . . . .
O2 O 0.5483(5) -1.3609(3) 0.6391(3) 0.0166(12) Uani 1 1 d . . . . .
O3 O 0.3117(5) -1.3604(4) 0.6176(3) 0.0178(13) Uani 1 1 d . . . . .
O4 O 0.4359(5) -1.4675(3) 0.5332(3) 0.0156(12) Uani 1 1 d . . . . .
O5 O 0.3487(5) -1.1737(4) 0.4792(3) 0.0249(15) Uani 1 1 d . . . . .
O6 O 0.3415(5) -1.2004(4) 0.6052(3) 0.0273(15) Uani 1 1 d . . . . .
O7 O 0.5412(5) -1.1989(4) 0.6237(3) 0.0256(15) Uani 1 1 d . . . . .
O8 O 0.5605(5) -1.1779(4) 0.4985(3) 0.0265(15) Uani 1 1 d . . . . .
O9 O 0.4457(7) -1.0750(4) 0.5620(4) 0.0375(19) Uani 1 1 d . . . . .
O10 O 0.2423(6) -1.1818(4) 0.7184(4) 0.0328(17) Uani 1 1 d . . . . .
O11 O 0.4245(5) -1.2623(4) 0.7044(3) 0.0252(15) Uani 1 1 d . . . . .
O12 O 0.1629(5) -1.2701(4) 0.6198(3) 0.0287(16) Uani 1 1 d . . . . .
O13 O 0.2552(5) -1.3375(4) 0.7272(3) 0.0258(15) Uani 1 1 d . . . . .
O14 O 0.5819(5) -1.3447(4) 0.7576(3) 0.0249(15) Uani 1 1 d . . . . .
O15 O 0.7004(5) -1.2805(4) 0.6683(3) 0.0243(15) Uani 1 1 d . . . . .
O16 O 0.2524(5) -1.2498(5) 0.3785(3) 0.0317(17) Uani 1 1 d . . . . .
O17 O 0.0414(6) -1.3535(5) 0.5348(4) 0.039(2) Uani 1 1 d . . . . .
O18 O 0.1462(5) -1.4198(4) 0.6396(3) 0.0270(15) Uani 1 1 d . . . . .
O19 O 0.2268(6) -1.4878(5) 0.7507(3) 0.0346(18) Uani 1 1 d . . . . .
O20 O 0.7007(5) -1.4303(4) 0.6856(3) 0.0246(15) Uani 1 1 d . . . . .
O21 O 0.8328(5) -1.3670(5) 0.6035(3) 0.0327(18) Uani 1 1 d . . . . .
O22 O 0.6601(5) -1.3058(4) 0.5396(3) 0.0210(14) Uani 1 1 d . . . . .
O23 O 0.2334(5) -1.2994(4) 0.5021(3) 0.0262(15) Uani 1 1 d . . . . .
O24 O 0.5662(5) -1.3840(4) 0.4462(3) 0.0211(14) Uani 1 1 d . . . . .
O25 O 0.3526(5) -1.3802(4) 0.4288(3) 0.0259(15) Uani 1 1 d . . . . .
O26 O 0.4591(5) -1.4823(4) 0.3494(3) 0.0227(14) Uani 1 1 d . . . . .
O27 O 0.3395(6) -1.5466(4) 0.4394(3) 0.0249(15) Uani 1 1 d . . . . .
O28 O 0.6771(6) -1.2523(4) 0.4149(3) 0.0314(17) Uani 1 1 d . . . . .
O29 O 0.4179(5) -1.4350(4) 0.7182(3) 0.0234(14) Uani 1 1 d . . . . .
O30 O 0.7925(6) -1.5523(4) 0.4786(3) 0.0301(16) Uani 1 1 d . . . . .
O31 O 0.6997(6) -1.4809(4) 0.3653(3) 0.0310(17) Uani 1 1 d . . . . .
O32 O 0.8251(6) -1.3941(5) 0.4662(4) 0.040(2) Uani 1 1 d . . . . .
O33 O 1.0432(8) -1.2943(7) 0.3951(5) 0.068(3) Uani 1 1 d . . . . .
O34 O 0.6022(6) -1.1896(4) 0.7522(3) 0.0329(17) Uani 1 1 d . . . . .
O35 O 0.5957(6) -1.4971(4) 0.7800(3) 0.0307(17) Uani 1 1 d . . . . .
O36 O 0.8515(8) -1.3658(6) 0.3288(4) 0.055(2) Uani 1 1 d . . . . .
O37 O 1.0324(6) -1.5538(5) 0.3071(4) 0.041(2) Uani 1 1 d . . . . .
O38 O 0.9449(7) -1.4458(5) 0.2086(4) 0.050(2) Uani 1 1 d . . . . .
O39 O 1.1708(7) -1.6547(5) 0.2122(4) 0.047(2) Uani 1 1 d . . . . .
O40 O 0.9086(7) -1.6598(6) 0.1931(4) 0.047(2) Uani 1 1 d . . . . .
O41 O 0.9368(7) -1.8609(5) 0.2220(4) 0.045(2) Uani 1 1 d . . . . .
O42 O 1.0359(5) -1.7599(4) 0.0951(3) 0.0202(13) Uani 1 1 d . . . . .
O43 O 0.8766(17) -0.8509(12) 0.4766(10) 0.170(10) Uani 1 1 d . . . . .
H43A H 0.924600 -0.864720 0.448040 0.255 Uiso 1 1 d . U . . .
H43B H 0.876580 -0.886530 0.504510 0.255 Uiso 1 1 d . U . . .
O44 O 1.1744(7) -1.8379(6) 0.2410(6) 0.074(4) Uani 1 1 d . . . . .
O45 O 1.0270(6) -1.7476(5) 0.3288(4) 0.043(2) Uani 1 1 d . . . . .
O11W O 1.1429(19) -2.0888(17) 0.4003(9) 0.206(12) Uani 1 1 d . . . . .
H11A H 1.146510 -2.107560 0.360220 0.308 Uiso 1 1 d . U . . .
H11B H 1.062630 -2.073000 0.391810 0.308 Uiso 1 1 d . U . . .
O1W O 1.1863(14) -2.5499(9) 0.0673(9) 0.127(6) Uani 1 1 d . . . . .
H1WA H 1.203460 -2.579370 0.029230 0.190 Uiso 1 1 d . U . . .
H1WB H 1.173400 -2.505370 0.054240 0.190 Uiso 1 1 d . U . . .
O2W O 1.2982(17) -0.9410(12) 0.5014(14) 0.189(11) Uani 1 1 d . . . . .
H2WA H 1.323650 -0.892450 0.527910 0.283 Uiso 1 1 d . U . . .
H2WB H 1.246810 -0.969930 0.515520 0.283 Uiso 1 1 d . U . . .
O3W O 0.913(3) -1.921(2) 0.3668(16) 0.163(12) Uani 0.65 1 d . U P B 1
H3WA H 0.849930 -1.900280 0.351090 0.244 Uiso 0.65 1 d . U P C 1
H3WB H 0.901960 -1.969770 0.357600 0.244 Uiso 0.65 1 d . U P D 1
O4W O 0.8902(10) -1.1712(8) 0.3413(6) 0.086(4) Uani 1 1 d . . . . .
H4WA H 0.869078 -1.124894 0.352706 0.128 Uiso 1 1 d R U . . .
H4WB H 0.857875 -1.170444 0.306796 0.128 Uiso 1 1 d R U . . .
O5W O 0.9091(11) -1.2264(8) 0.5056(6) 0.093(4) Uani 1 1 d . . . . .
H5WA H 0.931723 -1.263295 0.530190 0.140 Uiso 1 1 d R U . . .
H5WB H 0.855994 -1.210062 0.524333 0.140 Uiso 1 1 d R U . . .
O6W O 1.0021(10) -1.4663(7) 0.4293(5) 0.075(3) Uani 1 1 d . . . . .
H6WA H 0.985973 -1.426233 0.459429 0.113 Uiso 1 1 d R U . . .
H6WB H 1.067035 -1.487612 0.447720 0.113 Uiso 1 1 d R U . . .
O7W O 1.2038(9) -1.4319(6) 0.3359(6) 0.078(4) Uani 1 1 d . . . . .
H7WA H 1.218933 -1.485096 0.326659 0.117 Uiso 1 1 d R U . . .
H7WB H 1.223223 -1.426455 0.381429 0.117 Uiso 1 1 d R U . . .
O8W O 1.0251(15) -1.5619(7) 0.0904(6) 0.114(6) Uani 1 1 d . . . . .
H8WA H 0.994019 -1.518170 0.063129 0.172 Uiso 1 1 d R U . . .
H8WB H 1.008819 -1.608541 0.075259 0.172 Uiso 1 1 d R U . . .
O9W O 1.1793(12) -1.4708(9) 0.1834(11) 0.142(8) Uani 1 1 d . . . . .
H9WA H 1.232048 -1.462913 0.221531 0.213 Uiso 1 1 d R U . . .
H9WB H 1.158158 -1.415002 0.175522 0.213 Uiso 1 1 d R U . . .
O10W O 1.2080(11) -1.8463(8) 0.3978(7) 0.095(4) Uani 1 1 d . . . . .
H10A H 1.242564 -1.890509 0.415233 0.143 Uiso 1 1 d R U . . .
H10B H 1.260871 -1.817977 0.378855 0.143 Uiso 1 1 d R U . . .
Na1 Na 0.8588(4) -1.2714(4) 0.4046(3) 0.0585(15) Uani 1 1 d . . . . .
Na2 Na 1.0289(4) -1.4094(3) 0.3174(3) 0.0580(15) Uani 1 1 d . . . . .
Na3 Na 1.0410(5) -1.5599(3) 0.1981(3) 0.0543(14) Uani 1 1 d . . . . .
Na4 Na 1.0382(4) -1.7510(3) 0.2126(2) 0.0423(11) Uani 1 1 d . . . . .
Na5 Na 1.0615(5) -1.8802(3) 0.3195(3) 0.0581(15) Uani 1 1 d . . . . .
O3WA O 1.795(4) -2.036(3) 0.3854(18) 0.109(15) Uani 0.35 1 d . . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 O1 2.173(6) . ?
W1 O5 1.977(7) . ?
W1 O6 1.868(7) . ?
W1 O7 1.925(7) . ?
W1 O8 1.967(7) . ?
W1 O9 1.729(7) . ?
W2 O3 2.232(6) . ?
W2 O6 1.970(7) . ?
W2 O10 1.738(7) . ?
W2 O11 1.966(7) . ?
W2 O12 1.862(7) . ?
W2 O13 1.871(7) . ?
W3 O2 2.208(6) . ?
W3 O7 1.941(7) . ?
W3 O11 1.871(7) . ?
W3 O14 1.953(7) . ?
W3 O15 1.947(7) . ?
W3 O34 1.721(7) . ?
W4 O1 2.147(6) . ?
W4 O5 1.961(7) . ?
W4 O16 1.740(7) . ?
W4 O23 1.875(7) . ?
W4 O25 1.915(7) . ?
W4 O42 1.999(6) 2_655 ?
W5 O1 2.184(6) . ?
W5 O8 1.964(7) . ?
W5 O22 1.959(6) . ?
W5 O24 1.917(7) . ?
W5 O28 1.736(7) . ?
W5 O42 1.901(6) 2_655 ?
W6 O2 2.137(6) . ?
W6 O15 1.986(7) . ?
W6 O20 1.959(7) . ?
W6 O21 1.739(7) . ?
W6 O22 1.893(6) . ?
W6 O27 1.902(7) 3_626 ?
W7 O2 2.164(6) . ?
W7 O14 1.974(7) . ?
W7 O20 1.967(7) . ?
W7 O26 1.911(7) 3_626 ?
W7 O29 1.901(7) . ?
W7 O35 1.719(7) . ?
W8 W9 3.2304(6) . ?
W8 O3 2.150(6) . ?
W8 O13 2.102(7) . ?
W8 O18 1.979(7) . ?
W8 O19 1.732(7) . ?
W8 O29 1.923(7) . ?
W8 O31 1.772(7) 3_626 ?
W9 O3 2.147(6) . ?
W9 O12 2.103(7) . ?
W9 O17 1.749(8) . ?
W9 O18 1.943(7) . ?
W9 O23 1.961(7) . ?
W9 O30 1.776(7) 3_626 ?
W10 W10 3.1534(11) 3_626 ?
W10 O4 2.033(6) . ?
W10 O4 2.013(6) 3_626 ?
W10 O24 2.044(7) . ?
W10 O25 1.935(7) . ?
W10 O26 1.929(7) . ?
W10 O27 2.102(7) . ?
Co3 O4 2.033(6) . ?
Co3 O4 2.013(6) 3_626 ?
Co3 O24 2.044(7) . ?
Co3 O25 1.935(7) . ?
Co3 O26 1.929(7) . ?
Co3 O27 2.102(7) . ?
Co1 O1 1.925(6) . ?
Co1 O2 1.927(6) . ?
Co1 O3 1.917(6) . ?
Co1 O4 1.934(6) . ?
Co2 O4 2.047(6) 3_626 ?
Co2 O24 2.159(7) . ?
Co2 O27 2.152(6) 3_626 ?
Co2 O30 2.086(8) . ?
Co2 O31 2.084(7) . ?
Co2 O32 2.171(8) . ?
O28 Na1 2.429(9) . ?
O32 Na1 2.593(10) . ?
O33 Na1 2.470(12) . ?
O33 Na2 2.624(13) . ?
O34 Na2 2.468(9) 4_536 ?
O35 Na5 2.389(9) 4_526 ?
O36 Na1 2.320(11) . ?
O36 Na2 2.476(12) . ?
O37 Na2 2.577(11) . ?
O37 Na3 2.320(10) . ?
O38 Na2 2.574(12) . ?
O38 Na3 2.404(11) . ?
O39 Na3 2.398(11) . ?
O39 Na4 2.439(11) . ?
O40 Na3 2.479(11) . ?
O40 Na4 2.365(10) . ?
O41 Na4 2.378(10) . ?
O41 Na5 2.573(11) . ?
O42 Na4 2.491(8) . ?
O43 H43A 0.9325 . ?
O43 H43B 0.8656 . ?
O44 Na4 2.408(11) . ?
O44 Na5 2.413(12) . ?
O45 Na4 2.476(10) . ?
O45 Na5 2.411(10) . ?
O11W H11A 0.9161 . ?
O11W H11B 1.0918 . ?
O1W H1WA 0.9981 . ?
O1W H1WB 0.8527 . ?
O2W H2WA 1.0717 . ?
O2W H2WB 0.9126 . ?
O3W H3WA 0.9441 . ?
O3W H3WB 0.8979 . ?
O3W Na5 2.36(3) . ?
O4W H4WA 0.9057 . ?
O4W H4WB 0.8214 . ?
O4W Na1 2.282(14) . ?
O5W H5WA 0.8770 . ?
O5W H5WB 0.8723 . ?
O5W Na1 2.338(13) . ?
O6W H6WA 0.9891 . ?
O6W H6WB 0.9882 . ?
O6W Na2 2.619(13) . ?
O7W H7WA 0.9885 . ?
O7W H7WB 0.9854 . ?
O7W Na2 2.334(12) . ?
O8W H8WA 1.0368 . ?
O8W H8WB 0.9097 . ?
O8W Na3 2.277(13) . ?
O9W H9WA 1.0394 . ?
O9W H9WB 1.0406 . ?
O9W Na3 2.441(16) . ?
O10W H10A 0.9681 . ?
O10W H10B 0.9638 . ?
O10W Na5 2.530(16) . ?
Na1 Na2 3.861(9) . ?
Na2 Na3 3.691(9) . ?
Na3 Na4 3.410(8) . ?
Na4 Na5 3.225(8) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O5 W1 O1 74.4(3) . . ?
O6 W1 O1 87.6(3) . . ?
O6 W1 O5 89.9(3) . . ?
O6 W1 O7 87.4(3) . . ?
O6 W1 O8 161.1(3) . . ?
O7 W1 O1 90.2(3) . . ?
O7 W1 O5 164.5(3) . . ?
O7 W1 O8 88.1(3) . . ?
O8 W1 O1 74.1(2) . . ?
O8 W1 O5 89.6(3) . . ?
O9 W1 O1 165.8(3) . . ?
O9 W1 O5 95.0(3) . . ?
O9 W1 O6 102.0(4) . . ?
O9 W1 O7 100.6(4) . . ?
O9 W1 O8 96.9(3) . . ?
O6 W2 O3 86.5(3) . . ?
O10 W2 O3 173.3(3) . . ?
O10 W2 O6 98.7(3) . . ?
O10 W2 O11 98.7(3) . . ?
O10 W2 O12 100.2(3) . . ?
O10 W2 O13 100.5(3) . . ?
O11 W2 O3 86.2(2) . . ?
O11 W2 O6 80.9(3) . . ?
O12 W2 O3 75.7(3) . . ?
O12 W2 O6 88.8(3) . . ?
O12 W2 O11 159.6(3) . . ?
O12 W2 O13 96.2(3) . . ?
O13 W2 O3 75.0(3) . . ?
O13 W2 O6 158.9(3) . . ?
O13 W2 O11 87.7(3) . . ?
O7 W3 O2 88.4(3) . . ?
O7 W3 O14 163.1(3) . . ?
O7 W3 O15 86.5(3) . . ?
O11 W3 O2 86.7(3) . . ?
O11 W3 O7 86.7(3) . . ?
O11 W3 O14 90.4(3) . . ?
O11 W3 O15 159.4(3) . . ?
O14 W3 O2 74.8(2) . . ?
O15 W3 O2 73.6(3) . . ?
O15 W3 O14 90.4(3) . . ?
O34 W3 O2 168.7(3) . . ?
O34 W3 O7 99.1(3) . . ?
O34 W3 O11 102.1(3) . . ?
O34 W3 O14 97.7(3) . . ?
O34 W3 O15 98.2(3) . . ?
O5 W4 O1 75.3(3) . . ?
O5 W4 O42 86.8(3) . 2_655 ?
O16 W4 O1 167.7(3) . . ?
O16 W4 O5 96.3(3) . . ?
O16 W4 O23 100.9(3) . . ?
O16 W4 O25 101.8(3) . . ?
O16 W4 O42 96.7(3) . 2_655 ?
O23 W4 O1 88.5(3) . . ?
O23 W4 O5 91.8(3) . . ?
O23 W4 O25 90.3(3) . . ?
O23 W4 O42 162.4(3) . 2_655 ?
O25 W4 O1 86.0(3) . . ?
O25 W4 O5 161.1(3) . . ?
O25 W4 O42 85.5(3) . 2_655 ?
O42 W4 O1 74.2(2) 2_655 . ?
O8 W5 O1 73.9(3) . . ?
O22 W5 O1 85.3(2) . . ?
O22 W5 O8 88.4(3) . . ?
O24 W5 O1 87.9(3) . . ?
O24 W5 O8 161.4(3) . . ?
O24 W5 O22 86.5(3) . . ?
O28 W5 O1 168.4(3) . . ?
O28 W5 O8 95.8(3) . . ?
O28 W5 O22 99.7(3) . . ?
O28 W5 O24 102.7(3) . . ?
O28 W5 O42 100.0(3) . 2_655 ?
O42 W5 O1 75.2(2) 2_655 . ?
O42 W5 O8 88.9(3) 2_655 . ?
O42 W5 O22 160.4(3) 2_655 . ?
O42 W5 O24 89.9(3) 2_655 . ?
O15 W6 O2 74.5(2) . . ?
O20 W6 O2 74.9(2) . . ?
O20 W6 O15 85.9(3) . . ?
O21 W6 O2 166.8(3) . . ?
O21 W6 O15 94.9(3) . . ?
O21 W6 O20 96.7(3) . . ?
O21 W6 O22 99.9(3) . . ?
O21 W6 O27 102.0(3) . 3_626 ?
O22 W6 O2 88.4(3) . . ?
O22 W6 O15 91.5(3) . . ?
O22 W6 O20 163.3(3) . . ?
O22 W6 O27 89.1(3) . 3_626 ?
O27 W6 O2 88.2(3) 3_626 . ?
O27 W6 O15 162.7(3) 3_626 . ?
O27 W6 O20 88.7(3) 3_626 . ?
O14 W7 O2 75.5(2) . . ?
O20 W7 O2 74.2(2) . . ?
O20 W7 O14 87.0(3) . . ?
O26 W7 O2 86.6(3) 3_626 . ?
O26 W7 O14 162.0(3) 3_626 . ?
O26 W7 O20 87.2(3) 3_626 . ?
O29 W7 O2 86.7(3) . . ?
O29 W7 O14 91.1(3) . . ?
O29 W7 O20 160.6(3) . . ?
O29 W7 O26 88.7(3) . 3_626 ?
O35 W7 O2 167.9(3) . . ?
O35 W7 O14 96.2(3) . . ?
O35 W7 O20 97.0(3) . . ?
O35 W7 O26 101.4(3) . 3_626 ?
O35 W7 O29 102.4(3) . . ?
O3 W8 W9 41.23(17) . . ?
O13 W8 W9 83.34(19) . . ?
O13 W8 O3 72.5(2) . . ?
O18 W8 W9 34.19(19) . . ?
O18 W8 O3 73.8(3) . . ?
O18 W8 O13 82.8(3) . . ?
O19 W8 W9 131.6(3) . . ?
O19 W8 O3 161.9(3) . . ?
O19 W8 O13 91.0(3) . . ?
O19 W8 O18 97.4(3) . . ?
O19 W8 O29 99.9(3) . . ?
O19 W8 O31 103.5(4) . 3_626 ?
O29 W8 W9 127.53(19) . . ?
O29 W8 O3 86.7(3) . . ?
O29 W8 O13 86.6(3) . . ?
O29 W8 O18 159.8(3) . . ?
O31 W8 W9 84.1(3) 3_626 . ?
O31 W8 O3 92.7(3) 3_626 . ?
O31 W8 O13 165.0(3) 3_626 . ?
O31 W8 O18 91.4(3) 3_626 . ?
O31 W8 O29 94.6(3) 3_626 . ?
O3 W9 W8 41.29(16) . . ?
O12 W9 W8 84.3(2) . . ?
O12 W9 O3 73.0(3) . . ?
O17 W9 W8 133.2(3) . . ?
O17 W9 O3 162.9(3) . . ?
O17 W9 O12 91.0(3) . . ?
O17 W9 O18 98.3(3) . . ?
O17 W9 O23 98.8(3) . . ?
O17 W9 O30 103.8(4) . 3_626 ?
O18 W9 W8 34.9(2) . . ?
O18 W9 O3 74.6(3) . . ?
O18 W9 O12 83.8(3) . . ?
O18 W9 O23 160.0(3) . . ?
O23 W9 W8 127.0(2) . . ?
O23 W9 O3 86.2(3) . . ?
O23 W9 O12 85.4(3) . . ?
O30 W9 W8 85.6(3) 3_626 . ?
O30 W9 O3 92.3(3) 3_626 . ?
O30 W9 O12 165.2(3) 3_626 . ?
O30 W9 O18 94.0(3) 3_626 . ?
O30 W9 O23 92.0(3) 3_626 . ?
O4 W10 W10 39.01(16) 3_626 3_626 ?
O4 W10 W10 38.57(17) . 3_626 ?
O4 W10 O4 77.6(3) 3_626 . ?
O4 W10 O24 82.5(3) 3_626 . ?
O4 W10 O24 94.1(2) . . ?
O4 W10 O27 92.5(3) 3_626 . ?
O4 W10 O27 80.9(2) . . ?
O24 W10 W10 87.86(18) . 3_626 ?
O24 W10 O27 173.6(3) . . ?
O25 W10 W10 130.2(2) . 3_626 ?
O25 W10 O4 92.2(3) . . ?
O25 W10 O4 166.4(3) . 3_626 ?
O25 W10 O24 89.4(3) . . ?
O25 W10 O27 94.7(3) . . ?
O26 W10 W10 132.8(2) . 3_626 ?
O26 W10 O4 165.7(3) . . ?
O26 W10 O4 94.9(3) . 3_626 ?
O26 W10 O24 97.0(3) . . ?
O26 W10 O25 96.9(3) . . ?
O26 W10 O27 87.4(3) . . ?
O27 W10 W10 85.71(18) . 3_626 ?
O4 Co3 O4 77.6(3) 3_626 . ?
O4 Co3 O24 82.5(3) 3_626 . ?
O4 Co3 O24 94.1(2) . . ?
O4 Co3 O27 80.9(2) . . ?
O4 Co3 O27 92.5(3) 3_626 . ?
O24 Co3 O27 173.6(3) . . ?
O25 Co3 O4 92.2(3) . . ?
O25 Co3 O4 166.4(3) . 3_626 ?
O25 Co3 O24 89.4(3) . . ?
O25 Co3 O27 94.7(3) . . ?
O26 Co3 O4 94.9(3) . 3_626 ?
O26 Co3 O4 165.7(3) . . ?
O26 Co3 O24 97.0(3) . . ?
O26 Co3 O25 96.9(3) . . ?
O26 Co3 O27 87.4(3) . . ?
O1 Co1 O2 105.7(3) . . ?
O1 Co1 O4 113.5(3) . . ?
O2 Co1 O4 113.0(3) . . ?
O3 Co1 O1 107.6(3) . . ?
O3 Co1 O2 107.6(3) . . ?
O3 Co1 O4 109.0(3) . . ?
O4 Co2 O24 78.9(3) 3_626 . ?
O4 Co2 O27 79.3(3) 3_626 3_626 ?
O4 Co2 O30 93.3(3) 3_626 . ?
O4 Co2 O31 93.9(3) 3_626 . ?
O4 Co2 O32 174.6(3) 3_626 . ?
O24 Co2 O32 103.3(3) . . ?
O27 Co2 O24 85.3(3) 3_626 . ?
O27 Co2 O32 95.9(3) 3_626 . ?
O30 Co2 O24 172.3(3) . . ?
O30 Co2 O27 93.1(3) . 3_626 ?
O30 Co2 O32 84.4(3) . . ?
O31 Co2 O24 92.1(3) . . ?
O31 Co2 O27 173.1(3) . 3_626 ?
O31 Co2 O30 88.6(3) . . ?
O31 Co2 O32 90.9(3) . . ?
W1 O1 W5 98.2(2) . . ?
W4 O1 W1 98.1(2) . . ?
W4 O1 W5 97.2(2) . . ?
Co1 O1 W1 121.6(3) . . ?
Co1 O1 W4 117.2(3) . . ?
Co1 O1 W5 119.5(3) . . ?
W6 O2 W3 98.3(2) . . ?
W6 O2 W7 98.2(2) . . ?
W7 O2 W3 96.8(2) . . ?
Co1 O2 W3 121.9(3) . . ?
Co1 O2 W6 118.4(3) . . ?
Co1 O2 W7 118.3(3) . . ?
W8 O3 W2 98.8(2) . . ?
W9 O3 W2 98.2(2) . . ?
W9 O3 W8 97.5(2) . . ?
Co1 O3 W2 121.2(3) . . ?
Co1 O3 W8 117.7(3) . . ?
Co1 O3 W9 118.7(3) . . ?
W10 O4 W10 102.4(3) 3_626 . ?
Co1 O4 W10 115.6(3) . 3_626 ?
Co1 O4 W10 114.7(3) . . ?
Co1 O4 Co3 114.7(3) . . ?
Co1 O4 Co2 118.8(3) . 3_626 ?
W4 O5 W1 111.9(3) . . ?
W1 O6 W2 155.4(4) . . ?
W1 O7 W3 146.8(4) . . ?
W5 O8 W1 113.8(3) . . ?
W3 O11 W2 156.7(4) . . ?
W2 O12 W9 113.1(3) . . ?
W2 O13 W8 113.7(3) . . ?
W3 O14 W7 112.7(3) . . ?
W3 O15 W6 113.4(3) . . ?
W9 O18 W8 110.9(3) . . ?
W6 O20 W7 111.9(3) . . ?
W6 O22 W5 155.7(4) . . ?
W4 O23 W9 153.7(4) . . ?
W5 O24 W10 137.0(3) . . ?
W5 O24 Co3 137.0(3) . . ?
W5 O24 Co2 124.2(3) . . ?
W10 O24 Co2 96.3(3) . . ?
Co3 O24 Co2 96.3(3) . . ?
W4 O25 W10 144.3(4) . . ?
W4 O25 Co3 144.3(4) . . ?
W7 O26 W10 144.4(4) 3_626 . ?
W7 O26 Co3 144.4(4) 3_626 . ?
W6 O27 W10 137.9(3) 3_626 . ?
W6 O27 Co3 137.9(3) 3_626 . ?
W6 O27 Co2 122.7(3) 3_626 3_626 ?
W5 O28 Na1 141.1(4) . . ?
W7 O29 W8 155.9(4) . . ?
W9 O30 Co2 137.2(4) 3_626 . ?
W8 O31 Co2 138.1(4) 3_626 . ?
Co2 O32 Na1 128.9(4) . . ?
Na1 O33 Na2 98.5(4) . . ?
W3 O34 Na2 141.4(4) . 4_536 ?
W7 O35 Na5 138.6(4) . 4_526 ?
Na1 O36 Na2 107.2(4) . . ?
Na3 O37 Na2 97.7(4) . . ?
Na3 O38 Na2 95.6(4) . . ?
Na3 O39 Na4 89.6(3) . . ?
Na4 O40 Na3 89.5(3) . . ?
Na4 O41 Na5 81.2(3) . . ?
W4 O42 Na4 118.0(3) 2_645 . ?
W5 O42 W4 112.8(3) 2_645 2_645 ?
W5 O42 Na4 127.3(3) 2_645 . ?
H43A O43 H43B 106.3 . . ?
Na4 O44 Na5 84.0(4) . . ?
Na5 O45 Na4 82.6(3) . . ?
H11A O11W H11B 92.7 . . ?
H1WA O1W H1WB 106.0 . . ?
H2WA O2W H2WB 119.5 . . ?
H3WA O3W H3WB 100.2 . . ?
Na5 O3W H3WA 117.1 . . ?
Na5 O3W H3WB 109.1 . . ?
H4WA O4W H4WB 94.2 . . ?
Na1 O4W H4WA 118.9 . . ?
Na1 O4W H4WB 115.7 . . ?
H5WA O5W H5WB 103.2 . . ?
Na1 O5W H5WA 110.7 . . ?
Na1 O5W H5WB 110.1 . . ?
H6WA O6W H6WB 103.5 . . ?
Na2 O6W H6WA 110.6 . . ?
Na2 O6W H6WB 110.1 . . ?
H7WA O7W H7WB 104.2 . . ?
Na2 O7W H7WA 109.8 . . ?
Na2 O7W H7WB 109.7 . . ?
H8WA O8W H8WB 114.3 . . ?
Na3 O8W H8WA 123.7 . . ?
Na3 O8W H8WB 111.9 . . ?
H9WA O9W H9WB 98.7 . . ?
Na3 O9W H9WA 116.8 . . ?
Na3 O9W H9WB 116.5 . . ?
H10A O10W H10B 104.6 . . ?
Na5 O10W H10A 111.9 . . ?
Na5 O10W H10B 112.7 . . ?
O28 Na1 O32 82.7(3) . . ?
O28 Na1 O33 178.5(5) . . ?
O28 Na1 Na2 136.9(3) . . ?
O32 Na1 Na2 80.1(3) . . ?
O33 Na1 O32 95.8(4) . . ?
O33 Na1 Na2 42.2(3) . . ?
O36 Na1 O28 99.5(4) . . ?
O36 Na1 O32 74.9(3) . . ?
O36 Na1 O33 79.8(4) . . ?
O36 Na1 O5W 151.3(5) . . ?
O36 Na1 Na2 37.8(3) . . ?
O4W Na1 O28 99.1(5) . . ?
O4W Na1 O32 174.0(5) . . ?
O4W Na1 O33 82.4(5) . . ?
O4W Na1 O36 99.2(5) . . ?
O4W Na1 O5W 102.7(6) . . ?
O4W Na1 Na2 94.8(4) . . ?
O5W Na1 O28 95.2(4) . . ?
O5W Na1 O32 82.8(5) . . ?
O5W Na1 O33 84.9(5) . . ?
O5W Na1 Na2 121.1(4) . . ?
O33 Na2 Na1 39.2(3) . . ?
O33 Na2 Na3 171.9(3) . . ?
O34 Na2 O33 77.3(4) 4_635 . ?
O34 Na2 O36 103.4(4) 4_635 . ?
O34 Na2 O37 130.8(4) 4_635 . ?
O34 Na2 O38 80.7(3) 4_635 . ?
O34 Na2 O6W 149.4(4) 4_635 . ?
O34 Na2 Na1 94.1(3) 4_635 . ?
O34 Na2 Na3 95.7(3) 4_635 . ?
O36 Na2 O33 74.0(4) . . ?
O36 Na2 O37 110.0(4) . . ?
O36 Na2 O38 79.3(3) . . ?
O36 Na2 O6W 81.6(4) . . ?
O36 Na2 Na1 35.0(3) . . ?
O36 Na2 Na3 112.0(3) . . ?
O37 Na2 O33 146.0(4) . . ?
O37 Na2 O6W 72.3(4) . . ?
O37 Na2 Na1 133.4(3) . . ?
O37 Na2 Na3 38.5(2) . . ?
O38 Na2 O33 140.1(4) . . ?
O38 Na2 O37 71.4(3) . . ?
O38 Na2 O6W 129.6(4) . . ?
O38 Na2 Na1 111.2(3) . . ?
O38 Na2 Na3 40.4(2) . . ?
O6W Na2 O33 75.1(4) . . ?
O6W Na2 Na1 72.5(3) . . ?
O6W Na2 Na3 110.6(3) . . ?
O7W Na2 O33 89.9(4) . . ?
O7W Na2 O34 78.7(4) . 4_635 ?
O7W Na2 O36 162.7(5) . . ?
O7W Na2 O37 79.7(4) . . ?
O7W Na2 O38 117.8(5) . . ?
O7W Na2 O6W 88.2(5) . . ?
O7W Na2 Na1 128.2(4) . . ?
O7W Na2 Na3 84.6(3) . . ?
Na3 Na2 Na1 147.0(2) . . ?
O37 Na3 O38 79.1(4) . . ?
O37 Na3 O39 89.3(4) . . ?
O37 Na3 O40 89.9(4) . . ?
O37 Na3 O9W 100.4(6) . . ?
O37 Na3 Na2 43.8(3) . . ?
O37 Na3 Na4 87.5(3) . . ?
O38 Na3 O40 103.8(4) . . ?
O38 Na3 O9W 82.1(5) . . ?
O38 Na3 Na2 44.0(3) . . ?
O38 Na3 Na4 145.4(3) . . ?
O39 Na3 O38 162.2(4) . . ?
O39 Na3 O40 89.5(4) . . ?
O39 Na3 O9W 86.9(5) . . ?
O39 Na3 Na2 119.0(3) . . ?
O39 Na3 Na4 45.7(3) . . ?
O40 Na3 Na2 119.2(3) . . ?
O40 Na3 Na4 43.9(2) . . ?
O8W Na3 O37 171.8(6) . . ?
O8W Na3 O38 95.2(4) . . ?
O8W Na3 O39 97.6(5) . . ?
O8W Na3 O40 85.8(5) . . ?
O8W Na3 O9W 84.4(7) . . ?
O8W Na3 Na2 133.8(4) . . ?
O8W Na3 Na4 94.2(4) . . ?
O9W Na3 O40 169.0(6) . . ?
O9W Na3 Na2 71.4(5) . . ?
O9W Na3 Na4 132.1(5) . . ?
Na4 Na3 Na2 131.2(2) . . ?
O39 Na4 O42 90.3(3) . . ?
O39 Na4 O45 94.2(3) . . ?
O39 Na4 Na3 44.7(3) . . ?
O39 Na4 Na5 117.8(3) . . ?
O40 Na4 O39 91.3(4) . . ?
O40 Na4 O41 100.3(4) . . ?
O40 Na4 O42 84.6(3) . . ?
O40 Na4 O44 175.0(5) . . ?
O40 Na4 O45 94.0(3) . . ?
O40 Na4 Na3 46.6(3) . . ?
O40 Na4 Na5 130.3(3) . . ?
O41 Na4 O39 168.1(4) . . ?
O41 Na4 O42 93.4(3) . . ?
O41 Na4 O44 82.0(4) . . ?
O41 Na4 O45 82.4(3) . . ?
O41 Na4 Na3 146.6(3) . . ?
O41 Na4 Na5 52.0(3) . . ?
O42 Na4 Na3 88.5(2) . . ?
O42 Na4 Na5 130.5(3) . . ?
O44 Na4 O39 86.3(4) . . ?
O44 Na4 O42 99.8(4) . . ?
O44 Na4 O45 81.8(4) . . ?
O44 Na4 Na3 130.5(3) . . ?
O44 Na4 Na5 48.1(3) . . ?
O45 Na4 O42 175.3(3) . . ?
O45 Na4 Na3 93.8(3) . . ?
O45 Na4 Na5 47.8(2) . . ?
Na5 Na4 Na3 140.5(2) . . ?
O35 Na5 O41 88.0(3) 4_625 . ?
O35 Na5 O44 84.7(4) 4_625 . ?
O35 Na5 O45 164.2(4) 4_625 . ?
O35 Na5 O10W 107.2(4) 4_625 . ?
O35 Na5 Na4 114.6(3) 4_625 . ?
O41 Na5 Na4 46.8(2) . . ?
O44 Na5 O41 78.0(4) . . ?
O44 Na5 O10W 84.5(5) . . ?
O44 Na5 Na4 48.0(3) . . ?
O45 Na5 O41 79.8(3) . . ?
O45 Na5 O44 83.0(4) . . ?
O45 Na5 O10W 81.4(4) . . ?
O45 Na5 Na4 49.6(3) . . ?
O3W Na5 O35 92.6(9) . 4_625 ?
O3W Na5 O41 83.3(9) . . ?
O3W Na5 O44 161.1(10) . . ?
O3W Na5 O45 95.8(9) . . ?
O3W Na5 O10W 114.0(10) . . ?
O3W Na5 Na4 118.2(9) . . ?
O10W Na5 O41 155.7(5) . . ?
O10W Na5 Na4 108.9(4) . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 W1 O6 W2 63.3(10) . . . . ?
O1 W4 O23 W9 -63.0(9) . . . . ?
O1 W5 O28 Na1 137.4(12) . . . . ?
O2 W3 O11 W2 -64.5(10) . . . . ?
O2 W3 O34 Na2 -149.5(12) . . . 4_536 ?
O2 W6 O22 W5 -59.1(9) . . . . ?
O2 W7 O35 Na5 -161.3(10) . . . 4_526 ?
O3 W2 O12 W9 1.2(3) . . . . ?
O3 W2 O13 W8 -0.7(3) . . . . ?
O5 W1 O6 W2 137.7(10) . . . . ?
O5 W4 O23 W9 -138.2(9) . . . . ?
O6 W2 O12 W9 87.9(4) . . . . ?
O6 W2 O13 W8 -30.3(10) . . . . ?
O7 W1 O6 W2 -27.0(10) . . . . ?
O7 W3 O11 W2 24.1(10) . . . . ?
O7 W3 O34 Na2 79.5(7) . . . 4_536 ?
O8 W1 O6 W2 49.2(16) . . . . ?
O8 W5 O28 Na1 111.8(7) . . . . ?
O9 W1 O6 W2 -127.3(10) . . . . ?
O10 W2 O12 W9 -173.5(4) . . . . ?
O10 W2 O13 W8 174.3(4) . . . . ?
O11 W2 O12 W9 28.7(11) . . . . ?
O11 W2 O13 W8 -87.3(4) . . . . ?
O11 W3 O34 Na2 -9.1(7) . . . 4_536 ?
O12 W2 O13 W8 72.7(4) . . . . ?
O13 W2 O12 W9 -71.6(4) . . . . ?
O14 W3 O11 W2 -139.3(10) . . . . ?
O14 W3 O34 Na2 -101.2(7) . . . 4_536 ?
O14 W7 O35 Na5 153.2(6) . . . 4_526 ?
O15 W3 O11 W2 -46.9(16) . . . . ?
O15 W3 O34 Na2 167.2(7) . . . 4_536 ?
O15 W6 O22 W5 -133.6(9) . . . . ?
O16 W4 O23 W9 125.0(9) . . . . ?
O20 W6 O22 W5 -53.0(16) . . . . ?
O20 W7 O35 Na5 -119.1(6) . . . 4_526 ?
O21 W6 O22 W5 131.2(9) . . . . ?
O22 W5 O28 Na1 22.4(7) . . . . ?
O24 W5 O28 Na1 -66.2(7) . . . . ?
O25 W4 O23 W9 23.0(9) . . . . ?
O26 W7 O35 Na5 -30.5(7) 3_626 . . 4_526 ?
O27 W6 O22 W5 29.2(9) 3_626 . . . ?
O29 W7 O35 Na5 60.7(7) . . . 4_526 ?
O34 W3 O11 W2 122.7(10) . . . . ?
O42 W4 O23 W9 -52.8(16) 2_655 . . . ?
O42 W5 O28 Na1 -158.3(7) 2_655 . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_dm_139_V-Co4_POM
_database_code_depnum_ccdc_archive 'CCDC 2241107'
loop_
_audit_author_name
_audit_author_address
'Debaprasad Mandal'
;Indian Institute of Technology Ropar
India
;
_audit_update_record             
;
2023-03-20 deposited with the CCDC.	2023-03-24 downloaded from the CCDC.
;
_audit_creation_date             2023-03-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.02.24 svn.rf166f9f3 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            V-Co4_POM
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'Co4 H18 Na10 O96 V2 W18, 8(H2 O), 2(H O)'
_chemical_formula_sum            'Co4 H36 Na10 O106 V2 W18'
_chemical_formula_weight         5609.09
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Co Co 0.3494 0.9721 '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'
Na Na 0.0362 0.0249 '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'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.931(4)
_cell_length_b                   13.390(4)
_cell_length_c                   15.661(5)
_cell_angle_alpha                93.531(8)
_cell_angle_beta                 105.350(8)
_cell_angle_gamma                115.746(8)
_cell_volume                     2306.2(12)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    198
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      26.84
_cell_measurement_theta_min      2.80
_shelx_estimated_absorpt_T_max   0.075
_shelx_estimated_absorpt_T_min   0.048
_exptl_absorpt_coefficient_mu    23.410
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.4755
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1020 before and 0.0564 after correction.
The Ratio of minimum to maximum transmission is 0.6379.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    4.039
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       'cylinderical rhombohedral'
_exptl_crystal_F_000             2480
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.13
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_unetI/netI     0.0521
_diffrn_reflns_Laue_measured_fraction_full 0.888
_diffrn_reflns_Laue_measured_fraction_max 0.863
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22222
_diffrn_reflns_point_group_measured_fraction_full 0.888
_diffrn_reflns_point_group_measured_fraction_max 0.863
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.500
_diffrn_reflns_theta_min         2.416
_diffrn_ambient_temperature      273
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 5.6
_diffrn_detector_type            'Bruker AXS D8 Venture PHOTON CMOS'
_diffrn_measured_fraction_theta_full 0.888
_diffrn_measured_fraction_theta_max 0.863
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus microfocus tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6615
_reflns_number_total             8255
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.508
_refine_diff_density_min         -2.378
_refine_diff_density_rms         0.348
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     634
_refine_ls_number_reflns         8255
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0571
_refine_ls_R_factor_gt           0.0391
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0093P)²+85.7463P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0811
_refine_ls_wR_factor_ref         0.0918
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O23) \\sim Ueq, Uanis(O27) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
3. Others
 Fixed U11: O11(0.036441)
 Fixed U22: O11(0.009751)
 Fixed U33: O11(0.02111)
4.a Everything fixed:
 H44, H1WA, H1WB, H4WA, H4WB, H7W
4.b Rotating group:
 O2W(H2WA,H2WB), O3W(H3WA,H3WB), O5W(H5WA,H5WB), O6W(H6WA,H6WB), O8W(H8WA,
 H8WB), O9W(H9WA,H9WB)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.54741(5) 0.61726(5) 0.27263(4) 0.01660(13) Uani 1 1 d . . . . .
W2 W 0.72085(5) 0.46557(5) 0.37017(4) 0.01669(13) Uani 1 1 d . . . . .
W3 W 0.56893(5) 0.20235(5) 0.40918(4) 0.01824(13) Uani 1 1 d . . . . .
W4 W 0.23410(5) 0.06539(5) 0.35393(4) 0.02164(14) Uani 1 1 d . . . . .
W5 W 0.08082(5) 0.20454(5) 0.26474(4) 0.02168(14) Uani 1 1 d . . . . .
W6 W 0.24260(5) 0.49256(5) 0.22243(4) 0.01838(13) Uani 1 1 d . . . . .
W7 W 0.36690(5) 0.39211(5) 0.09033(4) 0.01889(14) Uani 1 1 d . . . . .
W8 W 0.54053(5) 0.24195(5) 0.18824(4) 0.01980(14) Uani 1 1 d . . . . .
W9 W 0.20427(5) 0.10145(5) 0.13418(4) 0.02172(14) Uani 1 1 d . . . . .
V1 V 0.40154(18) 0.34714(18) 0.32584(14) 0.0111(5) Uani 1 1 d . . . . .
Co1 Co 0.71585(17) 0.68342(17) 0.50306(13) 0.0224(4) Uani 1 1 d . . . . .
Co2 Co 0.42052(16) 0.56788(16) 0.45511(12) 0.0170(4) Uani 1 1 d . . . . .
O1 O 0.5197(8) 0.3220(7) 0.3246(6) 0.018(2) Uani 1 1 d . . . . .
O2 O 0.3917(8) 0.4326(8) 0.2525(6) 0.021(2) Uani 1 1 d . . . . .
O3 O 0.2729(7) 0.2206(7) 0.2836(6) 0.015(2) Uani 1 1 d . . . . .
O4 O 0.4186(8) 0.4042(8) 0.4322(6) 0.018(2) Uani 1 1 d . . . . .
O5 O 0.6483(8) 0.5443(9) 0.2956(6) 0.020(2) Uani 1 1 d . . . . .
O6 O 0.6473(9) 0.7492(8) 0.2650(7) 0.024(2) Uani 1 1 d . . . . .
O7 O 0.3978(8) 0.6226(8) 0.2321(6) 0.017(2) Uani 1 1 d . . . . .
O8 O 0.1366(8) 0.3353(9) 0.2112(6) 0.022(2) Uani 1 1 d . . . . .
O9 O 0.1454(9) 0.5465(9) 0.1816(7) 0.027(2) Uani 1 1 d . . . . .
O10 O -0.0707(9) 0.1664(10) 0.2359(8) 0.039(3) Uani 1 1 d . . . . .
O11 O 0.1848(9) -0.0642(8) 0.3859(6) 0.0224(16) Uani 1 1 d . . . . .
O12 O 0.3993(9) 0.1018(8) 0.3622(6) 0.024(2) Uani 1 1 d . . . . .
O13 O 0.6272(9) 0.1191(9) 0.4583(7) 0.030(3) Uani 1 1 d . . . . .
O14 O 0.7232(8) 0.3388(8) 0.4166(6) 0.018(2) Uani 1 1 d . . . . .
O15 O 0.8713(8) 0.5529(8) 0.3893(6) 0.022(2) Uani 1 1 d . . . . .
O16 O 0.4953(8) 0.5391(8) 0.1426(6) 0.022(2) Uani 1 1 d . . . . .
O17 O 0.2547(8) 0.4421(9) 0.1004(6) 0.024(2) Uani 1 1 d . . . . .
O18 O 0.0752(9) 0.1196(9) 0.1496(6) 0.026(2) Uani 1 1 d . . . . .
O19 O 0.1976(8) 0.0099(8) 0.2200(7) 0.024(2) Uani 1 1 d . . . . .
O20 O 0.5733(8) 0.1664(8) 0.2826(6) 0.023(2) Uani 1 1 d . . . . .
O21 O 0.6897(8) 0.3758(9) 0.2489(6) 0.027(3) Uani 1 1 d . . . . .
O22 O 0.3754(9) 0.1416(8) 0.1622(7) 0.024(2) Uani 1 1 d . . . . .
O23 O 0.4882(8) 0.3408(8) 0.1292(6) 0.017(2) Uani 1 1 d . U . . .
O24 O 0.2561(9) 0.2457(8) 0.0937(6) 0.020(2) Uani 1 1 d . . . . .
O25 O 0.3473(9) 0.3828(9) -0.0237(6) 0.024(2) Uani 1 1 d . . . . .
O26 O 0.1400(10) 0.0061(10) 0.0346(7) 0.040(3) Uani 1 1 d . . . . .
O27 O 0.5785(9) 0.1877(9) 0.1062(7) 0.026(2) Uani 1 1 d . U . . .
O28 O 0.6890(8) 0.5158(8) 0.4658(6) 0.020(2) Uani 1 1 d . . . . .
O29 O 0.4408(8) 0.7211(9) 0.5005(6) 0.023(2) Uani 1 1 d . . . . .
O30 O 0.7178(8) 0.8332(9) 0.5460(7) 0.028(2) Uani 1 1 d . . . . .
O31 O 0.8543(9) 0.7162(8) 0.6227(6) 0.023(2) Uani 1 1 d . . . . .
O32 O 0.8444(9) 0.7617(9) 0.4370(7) 0.029(3) Uani 1 1 d . . . . .
O33 O 0.9664(10) 0.5647(10) 0.5850(7) 0.036(3) Uani 1 1 d . . . . .
O34 O 1.1632(12) 0.6740(11) 0.3645(8) 0.048(3) Uani 1 1 d . . . . .
O35 O 0.0823(9) 0.0711(9) 0.3086(6) 0.025(2) Uani 1 1 d . . . . .
O36 O 1.0890(11) 0.8134(11) 0.5076(9) 0.049(3) Uani 1 1 d . . . . .
O37 O -0.1765(15) 0.5026(14) 0.0722(10) 0.072(5) Uani 1 1 d . . . . .
O38 O -0.1280(11) 0.6857(12) 0.2380(9) 0.057(4) Uani 1 1 d . . . . .
O39 O 0.1198(14) 0.7736(11) 0.1652(10) 0.060(4) Uani 1 1 d . . . . .
O40 O 0.2782(8) 0.5222(8) 0.3411(6) 0.020(2) Uani 1 1 d . . . . .
O41 O 0.5534(8) 0.6305(8) 0.3908(6) 0.020(2) Uani 1 1 d . . . . .
O42 O 0.9007(13) 0.9703(12) 0.3881(11) 0.066(4) Uani 1 1 d . . . . .
O43 O 0.465(3) 0.9354(18) 0.1792(17) 0.167(12) Uani 1 1 d . . . . .
O44 O 0.6051(14) 0.9052(12) 0.3960(8) 0.056(4) Uani 1 1 d . . . . .
H44 H 0.640720 0.928040 0.458620 0.084 Uiso 1 1 d . U . . .
O1W O 0.702(2) 0.915(2) 0.1276(16) 0.138(9) Uani 1 1 d . . . . .
H1WA H 0.645370 0.877580 0.068230 0.207 Uiso 1 1 d . U . . .
H1WB H 0.756600 0.959380 0.092610 0.207 Uiso 1 1 d . U . . .
O2W O 0.8961(15) 0.8634(13) 0.1433(12) 0.091(6) Uani 1 1 d . . . . .
H2WA H 0.947318 0.921071 0.199554 0.137 Uiso 1 1 d R U . . .
H2WB H 0.869328 0.875231 0.084784 0.137 Uiso 1 1 d R U . . .
O3W O 0.0121(14) 0.2390(13) 0.0118(11) 0.080(5) Uani 1 1 d . . . . .
H3WA H -0.027991 0.186837 0.036238 0.120 Uiso 1 1 d R U . . .
H3WB H 0.027949 0.205297 -0.026702 0.120 Uiso 1 1 d R U . . .
O4W O 0.168(3) 0.714(2) 0.960(3) 0.25(2) Uani 1 1 d . . . . .
H4WA H 0.099000 0.675070 0.976550 0.371 Uiso 1 1 d . U . . .
H4WB H 0.201820 0.665420 0.949550 0.371 Uiso 1 1 d . U . . .
O5W O 0.344(3) 0.942(2) 0.9873(19) 0.219(18) Uani 1 1 d . . . . .
H5WA H 0.293762 0.864914 0.967587 0.329 Uiso 1 1 d R U . . .
H5WB H 0.333672 0.948495 1.044376 0.329 Uiso 1 1 d R U . . .
O6W O 0.3579(14) 0.8442(16) 0.3297(11) 0.082(5) Uani 1 1 d . . . . .
H6WA H 0.435184 0.845384 0.354470 0.124 Uiso 1 1 d R U . . .
H6WB H 0.367228 0.924160 0.352561 0.124 Uiso 1 1 d R U . . .
O7W O 0.461(3) 0.7160(19) 0.0623(14) 0.152(11) Uani 1 1 d . . . . .
H7W H 0.445310 0.716280 -0.001070 0.228 Uiso 1 1 d . U . . .
O8W O -0.0901(10) 0.4096(11) 0.2330(8) 0.043(3) Uani 1 1 d . . . . .
H8WA H -0.169319 0.382500 0.219421 0.064 Uiso 1 1 d R U . . .
H8WB H -0.066882 0.404302 0.289985 0.064 Uiso 1 1 d R U . . .
O9W O 0.7657(13) 1.1234(15) 0.3151(10) 0.072(5) Uani 1 1 d . . . . .
H9WA H 0.802062 1.161774 0.276376 0.108 Uiso 1 1 d R U . . .
H9WB H 0.708835 1.146814 0.313149 0.108 Uiso 1 1 d R U . . .
Na1 Na 0.0049(6) 0.6075(7) 0.2166(5) 0.0484(19) Uani 1 1 d . . . . .
Na2 Na 0.3024(12) 0.7518(11) 0.1671(11) 0.122(5) Uani 1 1 d . . . . .
Na3 Na 0.6797(16) 0.9307(11) 0.2696(10) 0.132(6) Uani 1 1 d . . . . .
Na4 Na 1.0801(5) 0.6294(5) 0.4824(4) 0.0323(15) Uani 1 1 d . . . . .
Na5 Na 0.3147(6) 0.4773(6) -0.1463(4) 0.0403(17) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 O2 2.347(9) . ?
W1 O5 1.920(10) . ?
W1 O6 1.711(9) . ?
W1 O7 1.904(9) . ?
W1 O16 2.024(9) . ?
W1 O41 1.826(9) . ?
W1 Na5 3.495(7) 2_665 ?
W2 O1 2.340(8) . ?
W2 O5 1.946(9) . ?
W2 O14 1.897(10) . ?
W2 O15 1.707(9) . ?
W2 O21 2.026(9) . ?
W2 O28 1.819(9) . ?
W2 Na4 3.693(6) 2_766 ?
W2 Na5 3.587(6) 2_665 ?
W3 O1 2.330(10) . ?
W3 O12 1.904(9) . ?
W3 O13 1.712(10) . ?
W3 O14 2.004(9) . ?
W3 O20 2.033(9) . ?
W3 O29 1.759(10) 2_666 ?
W4 O3 2.335(9) . ?
W4 O11 1.727(9) . ?
W4 O12 1.938(10) . ?
W4 O19 2.038(10) . ?
W4 O30 1.782(11) 2_666 ?
W4 O35 1.939(10) . ?
W5 O3 2.333(9) . ?
W5 O8 1.921(10) . ?
W5 O10 1.714(10) . ?
W5 O18 2.040(10) . ?
W5 O31 1.775(9) 2_666 ?
W5 O35 1.960(10) . ?
W6 O2 2.344(10) . ?
W6 O7 1.963(9) . ?
W6 O8 1.914(10) . ?
W6 O9 1.712(10) . ?
W6 O17 2.056(10) . ?
W6 O40 1.767(9) . ?
W6 Na2 3.434(12) . ?
W7 O2 2.469(9) . ?
W7 O16 1.882(9) . ?
W7 O17 1.879(10) . ?
W7 O23 1.946(9) . ?
W7 O24 1.875(9) . ?
W7 O25 1.725(9) . ?
W7 Na5 3.524(6) 2_665 ?
W8 O1 2.460(9) . ?
W8 O20 1.900(10) . ?
W8 O21 1.911(10) . ?
W8 O22 1.874(10) . ?
W8 O23 1.914(9) . ?
W8 O27 1.718(10) . ?
W8 Na5 3.593(7) 2_665 ?
W9 O3 2.454(9) . ?
W9 O18 1.860(10) . ?
W9 O19 1.868(10) . ?
W9 O22 1.949(10) . ?
W9 O24 1.957(10) . ?
W9 O26 1.702(11) . ?
V1 O1 1.705(10) . ?
V1 O2 1.690(10) . ?
V1 O3 1.705(8) . ?
V1 O4 1.706(9) . ?
Co1 O4 2.176(9) 2_666 ?
Co1 O28 2.134(10) . ?
Co1 O30 2.063(12) . ?
Co1 O31 2.086(10) . ?
Co1 O32 2.112(10) . ?
Co1 O41 2.145(9) . ?
Co2 O4 2.187(10) . ?
Co2 O4 2.210(9) 2_666 ?
Co2 O28 2.125(9) 2_666 ?
Co2 O29 2.009(11) . ?
Co2 O40 2.024(9) . ?
Co2 O41 2.107(9) . ?
O5 Na5 2.532(11) 2_665 ?
O6 Na3 2.273(16) . ?
O7 Na2 2.637(16) . ?
O9 Na1 2.456(13) . ?
O9 Na2 2.683(16) . ?
O14 Na4 2.449(11) 2_766 ?
O15 Na4 2.407(11) . ?
O16 Na5 2.546(12) 2_665 ?
O21 Na5 2.625(13) 2_665 ?
O23 Na5 2.581(11) 2_665 ?
O25 Na5 2.409(11) . ?
O33 Na4 2.490(14) 2_766 ?
O33 Na4 2.410(12) . ?
O34 Na1 2.449(15) 1_655 ?
O34 Na4 2.355(13) . ?
O36 Na4 2.419(15) . ?
O37 Na1 2.555(17) . ?
O37 Na5 2.469(18) 2_565 ?
O38 Na1 2.446(17) . ?
O38 Na5 2.419(15) 2_565 ?
O39 Na1 2.405(15) . ?
O39 Na2 2.49(2) . ?
O42 Na3 2.77(2) . ?
O43 Na2 2.40(3) . ?
O43 Na3 2.79(4) . ?
O44 H44 0.9318 . ?
O44 Na3 2.404(17) . ?
O1W H1WA 0.9582 . ?
O1W H1WB 1.0121 . ?
O1W Na3 2.33(3) . ?
O2W H2WA 0.9874 . ?
O2W H2WB 0.9392 . ?
O3W H3WA 0.8516 . ?
O3W H3WB 0.8495 . ?
O4W H4WA 0.9312 . ?
O4W H4WB 0.9537 . ?
O5W H5WA 0.9256 . ?
O5W H5WB 0.9418 . ?
O6W H6WA 0.9641 . ?
O6W H6WB 1.0523 . ?
O6W Na2 2.53(2) . ?
O7W H7W 0.9594 . ?
O8W H8WA 0.8823 . ?
O8W H8WB 0.8815 . ?
O8W Na1 2.453(15) . ?
O9W H9WA 0.9134 . ?
O9W H9WB 0.9104 . ?
O9W Na3 2.29(2) . ?
Na1 Na2 3.800(16) . ?
Na1 Na4 3.976(10) 1_455 ?
Na1 Na5 3.597(10) 2_565 ?
Na2 Na3 4.17(2) . ?
Na4 Na4 3.348(12) 2_766 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 W1 Na5 91.8(3) . 2_665 ?
O5 W1 O2 82.9(4) . . ?
O5 W1 O16 84.3(4) . . ?
O5 W1 Na5 45.0(3) . 2_665 ?
O6 W1 O2 168.6(4) . . ?
O6 W1 O5 101.7(4) . . ?
O6 W1 O7 101.1(4) . . ?
O6 W1 O16 98.0(4) . . ?
O6 W1 O41 104.8(4) . . ?
O6 W1 Na5 84.4(4) . 2_665 ?
O7 W1 O2 73.0(4) . . ?
O7 W1 O5 155.2(4) . . ?
O7 W1 O16 82.9(4) . . ?
O7 W1 Na5 128.7(3) . 2_665 ?
O16 W1 O2 71.9(3) . . ?
O16 W1 Na5 46.0(3) . 2_665 ?
O41 W1 O2 85.5(4) . . ?
O41 W1 O5 90.2(4) . . ?
O41 W1 O7 93.4(4) . . ?
O41 W1 O16 157.2(4) . . ?
O41 W1 Na5 134.9(3) . 2_665 ?
O1 W2 Na4 109.6(3) . 2_766 ?
O1 W2 Na5 91.2(2) . 2_665 ?
O5 W2 O1 82.6(4) . . ?
O5 W2 O21 83.3(4) . . ?
O5 W2 Na4 167.8(3) . 2_766 ?
O5 W2 Na5 42.8(3) . 2_665 ?
O14 W2 O1 73.1(4) . . ?
O14 W2 O5 155.3(4) . . ?
O14 W2 O21 85.3(4) . . ?
O14 W2 Na4 36.7(3) . 2_766 ?
O14 W2 Na5 131.4(3) . 2_665 ?
O15 W2 O1 168.6(4) . . ?
O15 W2 O5 100.7(4) . . ?
O15 W2 O14 102.3(4) . . ?
O15 W2 O21 96.1(4) . . ?
O15 W2 O28 104.6(4) . . ?
O15 W2 Na4 67.2(3) . 2_766 ?
O15 W2 Na5 84.2(3) . 2_665 ?
O21 W2 O1 73.3(4) . . ?
O21 W2 Na4 99.3(3) . 2_766 ?
O21 W2 Na5 46.1(3) . 2_665 ?
O28 W2 O1 86.2(4) . . ?
O28 W2 O5 89.9(4) . . ?
O28 W2 O14 93.0(4) . . ?
O28 W2 O21 159.0(4) . . ?
O28 W2 Na4 91.6(3) . 2_766 ?
O28 W2 Na5 132.4(3) . 2_665 ?
Na5 W2 Na4 133.25(15) 2_665 2_766 ?
O12 W3 O1 84.3(4) . . ?
O12 W3 O14 155.3(4) . . ?
O12 W3 O20 86.6(4) . . ?
O13 W3 O1 167.3(4) . . ?
O13 W3 O12 103.0(5) . . ?
O13 W3 O14 99.8(4) . . ?
O13 W3 O20 98.1(5) . . ?
O13 W3 O29 104.5(5) . 2_666 ?
O14 W3 O1 71.6(3) . . ?
O14 W3 O20 80.9(4) . . ?
O20 W3 O1 71.7(4) . . ?
O29 W3 O1 85.0(4) 2_666 . ?
O29 W3 O12 94.8(4) 2_666 . ?
O29 W3 O14 88.6(4) 2_666 . ?
O29 W3 O20 156.4(4) 2_666 . ?
O11 W4 O3 168.9(4) . . ?
O11 W4 O12 101.3(5) . . ?
O11 W4 O19 98.4(4) . . ?
O11 W4 O30 105.4(5) . 2_666 ?
O11 W4 O35 100.9(4) . . ?
O12 W4 O3 83.3(4) . . ?
O12 W4 O19 83.9(4) . . ?
O12 W4 O35 155.2(4) . . ?
O19 W4 O3 71.9(4) . . ?
O30 W4 O3 84.3(4) 2_666 . ?
O30 W4 O12 92.7(4) 2_666 . ?
O30 W4 O19 156.2(4) 2_666 . ?
O30 W4 O35 91.8(4) 2_666 . ?
O35 W4 O3 73.0(4) . . ?
O35 W4 O19 82.2(4) . . ?
O8 W5 O3 84.4(4) . . ?
O8 W5 O18 85.0(4) . . ?
O8 W5 O35 156.0(4) . . ?
O10 W5 O3 168.0(5) . . ?
O10 W5 O8 100.6(5) . . ?
O10 W5 O18 97.9(5) . . ?
O10 W5 O31 105.1(5) . 2_666 ?
O10 W5 O35 100.7(5) . . ?
O18 W5 O3 71.5(3) . . ?
O31 W5 O3 85.2(4) 2_666 . ?
O31 W5 O8 94.5(4) 2_666 . ?
O31 W5 O18 156.7(4) 2_666 . ?
O31 W5 O35 90.7(4) 2_666 . ?
O35 W5 O3 72.7(4) . . ?
O35 W5 O18 81.1(4) . . ?
O2 W6 Na2 121.0(3) . . ?
O7 W6 O2 72.1(4) . . ?
O7 W6 O17 82.3(4) . . ?
O7 W6 Na2 49.9(4) . . ?
O8 W6 O2 82.8(4) . . ?
O8 W6 O7 154.3(4) . . ?
O8 W6 O17 85.0(4) . . ?
O8 W6 Na2 151.9(4) . . ?
O9 W6 O2 167.5(4) . . ?
O9 W6 O7 100.1(4) . . ?
O9 W6 O8 103.6(4) . . ?
O9 W6 O17 97.0(4) . . ?
O9 W6 O40 104.9(5) . . ?
O9 W6 Na2 50.2(4) . . ?
O17 W6 O2 72.6(4) . . ?
O17 W6 Na2 88.2(4) . . ?
O40 W6 O2 85.2(4) . . ?
O40 W6 O7 90.1(4) . . ?
O40 W6 O8 93.3(4) . . ?
O40 W6 O17 157.8(4) . . ?
O40 W6 Na2 102.9(4) . . ?
O2 W7 Na5 89.1(2) . 2_665 ?
O16 W7 O2 71.3(3) . . ?
O16 W7 O23 86.0(4) . . ?
O16 W7 Na5 44.4(3) . 2_665 ?
O17 W7 O2 72.5(4) . . ?
O17 W7 O16 90.2(4) . . ?
O17 W7 O23 157.6(4) . . ?
O17 W7 Na5 134.6(3) . 2_665 ?
O23 W7 O2 85.4(3) . . ?
O23 W7 Na5 45.9(3) . 2_665 ?
O24 W7 O2 84.0(4) . . ?
O24 W7 O16 154.2(4) . . ?
O24 W7 O17 89.2(4) . . ?
O24 W7 O23 84.9(4) . . ?
O24 W7 Na5 130.7(3) . 2_665 ?
O25 W7 O2 171.1(4) . . ?
O25 W7 O16 103.5(4) . . ?
O25 W7 O17 100.7(4) . . ?
O25 W7 O23 101.6(4) . . ?
O25 W7 O24 102.0(5) . . ?
O25 W7 Na5 92.0(3) . 2_665 ?
O1 W8 Na5 89.1(2) . 2_665 ?
O20 W8 O1 70.8(4) . . ?
O20 W8 O21 90.6(4) . . ?
O20 W8 O23 156.8(4) . . ?
O20 W8 Na5 135.8(3) . 2_665 ?
O21 W8 O1 72.4(3) . . ?
O21 W8 O23 85.7(4) . . ?
O21 W8 Na5 45.3(3) . 2_665 ?
O22 W8 O1 84.0(4) . . ?
O22 W8 O20 87.8(4) . . ?
O22 W8 O21 155.5(4) . . ?
O22 W8 O23 86.2(4) . . ?
O22 W8 Na5 130.0(3) . 2_665 ?
O23 W8 O1 86.3(4) . . ?
O23 W8 Na5 43.9(3) . 2_665 ?
O27 W8 O1 169.7(4) . . ?
O27 W8 O20 101.8(5) . . ?
O27 W8 O21 101.1(4) . . ?
O27 W8 O22 103.2(4) . . ?
O27 W8 O23 101.4(4) . . ?
O27 W8 Na5 91.8(4) . 2_665 ?
O18 W9 O3 71.5(4) . . ?
O18 W9 O19 91.8(4) . . ?
O18 W9 O22 154.1(4) . . ?
O18 W9 O24 87.1(4) . . ?
O19 W9 O3 71.8(4) . . ?
O19 W9 O22 87.7(4) . . ?
O19 W9 O24 154.8(4) . . ?
O22 W9 O3 83.8(4) . . ?
O22 W9 O24 82.6(4) . . ?
O24 W9 O3 84.0(3) . . ?
O26 W9 O3 172.0(4) . . ?
O26 W9 O18 103.3(5) . . ?
O26 W9 O19 102.8(5) . . ?
O26 W9 O22 102.0(5) . . ?
O26 W9 O24 102.0(5) . . ?
O1 V1 O4 111.5(4) . . ?
O2 V1 O1 108.0(4) . . ?
O2 V1 O3 106.9(4) . . ?
O2 V1 O4 111.9(5) . . ?
O3 V1 O1 106.6(4) . . ?
O3 V1 O4 111.6(4) . . ?
O28 Co1 O4 81.4(4) . 2_666 ?
O28 Co1 O41 84.5(4) . . ?
O30 Co1 O4 89.5(4) . 2_666 ?
O30 Co1 O28 170.7(4) . . ?
O30 Co1 O31 89.5(4) . . ?
O30 Co1 O32 92.8(4) . . ?
O30 Co1 O41 92.4(4) . . ?
O31 Co1 O4 89.9(3) . 2_666 ?
O31 Co1 O28 92.1(4) . . ?
O31 Co1 O32 90.8(4) . . ?
O31 Co1 O41 170.2(4) . . ?
O32 Co1 O4 177.5(4) . 2_666 ?
O32 Co1 O28 96.3(4) . . ?
O32 Co1 O41 98.6(4) . . ?
O41 Co1 O4 80.6(3) . 2_666 ?
O4 Co2 O4 78.8(4) . 2_666 ?
O28 Co2 O4 81.3(4) 2_666 . ?
O28 Co2 O4 88.3(3) 2_666 2_666 ?
O29 Co2 O4 169.1(4) . . ?
O29 Co2 O4 91.1(4) . 2_666 ?
O29 Co2 O28 94.4(4) . 2_666 ?
O29 Co2 O40 98.1(4) . . ?
O29 Co2 O41 94.6(4) . . ?
O40 Co2 O4 170.2(4) . 2_666 ?
O40 Co2 O4 92.3(4) . . ?
O40 Co2 O28 94.4(4) . 2_666 ?
O40 Co2 O41 95.1(4) . . ?
O41 Co2 O4 80.6(3) . 2_666 ?
O41 Co2 O4 87.9(4) . . ?
O41 Co2 O28 165.9(4) . 2_666 ?
W2 O1 W8 91.8(3) . . ?
W3 O1 W2 93.3(3) . . ?
W3 O1 W8 93.1(3) . . ?
V1 O1 W2 122.7(5) . . ?
V1 O1 W3 122.5(4) . . ?
V1 O1 W8 124.6(5) . . ?
W1 O2 W7 91.9(3) . . ?
W6 O2 W1 92.2(4) . . ?
W6 O2 W7 91.9(3) . . ?
V1 O2 W1 122.3(5) . . ?
V1 O2 W6 123.7(5) . . ?
V1 O2 W7 125.5(5) . . ?
W4 O3 W9 92.1(3) . . ?
W5 O3 W4 92.7(3) . . ?
W5 O3 W9 92.3(3) . . ?
V1 O3 W4 123.3(5) . . ?
V1 O3 W5 121.9(5) . . ?
V1 O3 W9 125.5(4) . . ?
V1 O4 Co1 120.4(5) . 2_666 ?
V1 O4 Co2 118.8(5) . 2_666 ?
V1 O4 Co2 118.6(5) . . ?
Co1 O4 Co2 96.8(3) 2_666 2_666 ?
Co1 O4 Co2 96.5(4) 2_666 . ?
Co2 O4 Co2 101.2(4) . 2_666 ?
W1 O5 W2 151.1(5) . . ?
W1 O5 Na5 102.6(4) . 2_665 ?
W2 O5 Na5 105.7(4) . 2_665 ?
W1 O6 Na3 143.8(7) . . ?
W1 O7 W6 121.8(5) . . ?
W1 O7 Na2 142.7(5) . . ?
W6 O7 Na2 95.4(5) . . ?
W6 O8 W5 150.0(5) . . ?
W6 O9 Na1 144.4(6) . . ?
W6 O9 Na2 100.4(5) . . ?
Na1 O9 Na2 95.3(5) . . ?
W3 O12 W4 150.1(6) . . ?
W2 O14 W3 121.1(5) . . ?
W2 O14 Na4 115.8(4) . 2_766 ?
W3 O14 Na4 121.4(5) . 2_766 ?
W2 O15 Na4 150.1(5) . . ?
W1 O16 Na5 99.1(4) . 2_665 ?
W7 O16 W1 124.8(5) . . ?
W7 O16 Na5 104.5(5) . 2_665 ?
W7 O17 W6 123.0(5) . . ?
W9 O18 W5 124.6(5) . . ?
W9 O19 W4 123.9(5) . . ?
W8 O20 W3 124.4(5) . . ?
W2 O21 Na5 100.1(5) . 2_665 ?
W8 O21 W2 122.2(5) . . ?
W8 O21 Na5 103.6(4) . 2_665 ?
W8 O22 W9 154.6(6) . . ?
W7 O23 Na5 101.3(4) . 2_665 ?
W8 O23 W7 150.2(5) . . ?
W8 O23 Na5 105.2(4) . 2_665 ?
W7 O24 W9 155.6(6) . . ?
W7 O25 Na5 142.4(6) . . ?
W2 O28 Co1 125.1(5) . . ?
W2 O28 Co2 133.2(5) . 2_666 ?
Co2 O28 Co1 99.6(4) 2_666 . ?
W3 O29 Co2 141.7(5) 2_666 . ?
W4 O30 Co1 141.2(6) 2_666 . ?
W5 O31 Co1 140.7(6) 2_666 . ?
Na4 O33 Na4 86.2(4) . 2_766 ?
Na4 O34 Na1 111.7(5) . 1_655 ?
W4 O35 W5 120.1(5) . . ?
Na5 O37 Na1 91.4(6) 2_565 . ?
Na5 O38 Na1 95.4(6) 2_565 . ?
Na1 O39 Na2 101.7(6) . . ?
W6 O40 Co2 139.8(5) . . ?
W1 O41 Co1 124.0(5) . . ?
W1 O41 Co2 133.5(5) . . ?
Co2 O41 Co1 100.9(4) . . ?
Na2 O43 Na3 106.5(11) . . ?
Na3 O44 H44 134.9 . . ?
H1WA O1W H1WB 82.9 . . ?
Na3 O1W H1WA 132.6 . . ?
Na3 O1W H1WB 140.5 . . ?
H2WA O2W H2WB 127.7 . . ?
H3WA O3W H3WB 104.5 . . ?
H4WA O4W H4WB 110.7 . . ?
H5WA O5W H5WB 97.4 . . ?
H6WA O6W H6WB 108.5 . . ?
Na2 O6W H6WA 99.6 . . ?
Na2 O6W H6WB 126.4 . . ?
H8WA O8W H8WB 103.2 . . ?
Na1 O8W H8WA 110.7 . . ?
Na1 O8W H8WB 111.0 . . ?
H9WA O9W H9WB 101.6 . . ?
Na3 O9W H9WA 112.6 . . ?
Na3 O9W H9WB 112.0 . . ?
O9 Na1 O37 99.2(5) . . ?
O9 Na1 Na2 44.7(3) . . ?
O9 Na1 Na4 103.5(3) . 1_455 ?
O9 Na1 Na5 139.4(4) . 2_565 ?
O34 Na1 O9 79.7(4) 1_455 . ?
O34 Na1 O37 169.1(6) 1_455 . ?
O34 Na1 O8W 94.5(5) 1_455 . ?
O34 Na1 Na2 74.9(4) 1_455 . ?
O34 Na1 Na4 33.4(3) 1_455 1_455 ?
O34 Na1 Na5 133.5(4) 1_455 2_565 ?
O37 Na1 Na2 112.0(5) . . ?
O37 Na1 Na4 138.8(5) . 1_455 ?
O37 Na1 Na5 43.3(4) . 2_565 ?
O38 Na1 O9 172.4(5) . . ?
O38 Na1 O34 103.3(5) . 1_455 ?
O38 Na1 O37 79.2(5) . . ?
O38 Na1 O8W 106.8(5) . . ?
O38 Na1 Na2 128.9(5) . . ?
O38 Na1 Na4 82.1(4) . 1_455 ?
O38 Na1 Na5 42.0(4) . 2_565 ?
O39 Na1 O9 82.8(5) . . ?
O39 Na1 O34 91.4(5) . 1_455 ?
O39 Na1 O37 99.2(6) . . ?
O39 Na1 O38 90.0(6) . . ?
O39 Na1 O8W 160.3(6) . . ?
O39 Na1 Na2 40.0(4) . . ?
O39 Na1 Na4 117.2(4) . 1_455 ?
O39 Na1 Na5 113.2(5) . 2_565 ?
O8W Na1 O9 79.8(4) . . ?
O8W Na1 O37 74.7(5) . . ?
O8W Na1 Na2 124.3(4) . . ?
O8W Na1 Na4 76.2(3) . 1_455 ?
O8W Na1 Na5 75.6(3) . 2_565 ?
Na2 Na1 Na4 108.3(3) . 1_455 ?
Na5 Na1 Na2 147.5(3) 2_565 . ?
Na5 Na1 Na4 101.2(2) 2_565 1_455 ?
W6 Na2 Na1 66.5(3) . . ?
W6 Na2 Na3 102.6(4) . . ?
O7 Na2 W6 34.7(2) . . ?
O7 Na2 O9 64.1(4) . . ?
O7 Na2 Na1 98.5(4) . . ?
O7 Na2 Na3 68.2(4) . . ?
O9 Na2 W6 29.4(3) . . ?
O9 Na2 Na1 40.1(3) . . ?
O9 Na2 Na3 131.3(5) . . ?
O39 Na2 W6 104.6(5) . . ?
O39 Na2 O7 136.3(7) . . ?
O39 Na2 O9 76.7(5) . . ?
O39 Na2 O6W 77.9(7) . . ?
O39 Na2 Na1 38.3(4) . . ?
O39 Na2 Na3 140.5(6) . . ?
O43 Na2 W6 142.6(10) . . ?
O43 Na2 O7 108.1(10) . . ?
O43 Na2 O9 169.9(10) . . ?
O43 Na2 O39 108.1(10) . . ?
O43 Na2 O6W 77.8(8) . . ?
O43 Na2 Na1 141.8(9) . . ?
O43 Na2 Na3 40.0(9) . . ?
O6W Na2 W6 92.0(6) . . ?
O6W Na2 O7 86.7(7) . . ?
O6W Na2 O9 95.0(7) . . ?
O6W Na2 Na1 76.9(5) . . ?
O6W Na2 Na3 72.9(5) . . ?
Na1 Na2 Na3 147.5(5) . . ?
O6 Na3 O42 80.5(6) . . ?
O6 Na3 O43 110.6(8) . . ?
O6 Na3 O44 84.7(6) . . ?
O6 Na3 O1W 87.4(8) . . ?
O6 Na3 O9W 160.9(10) . . ?
O6 Na3 Na2 78.6(5) . . ?
O42 Na3 O43 166.0(8) . . ?
O42 Na3 Na2 151.9(5) . . ?
O43 Na3 Na2 33.5(5) . . ?
O44 Na3 O42 87.1(7) . . ?
O44 Na3 O43 85.5(8) . . ?
O44 Na3 Na2 72.4(6) . . ?
O1W Na3 O42 104.1(9) . . ?
O1W Na3 O43 85.4(10) . . ?
O1W Na3 O44 165.0(11) . . ?
O1W Na3 Na2 93.5(9) . . ?
O9W Na3 O42 80.9(7) . . ?
O9W Na3 O43 87.2(7) . . ?
O9W Na3 O44 89.9(6) . . ?
O9W Na3 O1W 101.5(8) . . ?
O9W Na3 Na2 117.2(7) . . ?
W2 Na4 Na1 126.8(2) 2_766 1_655 ?
O14 Na4 W2 27.5(2) 2_766 2_766 ?
O14 Na4 O33 90.7(4) 2_766 2_766 ?
O14 Na4 Na1 123.2(3) 2_766 1_655 ?
O14 Na4 Na4 95.9(4) 2_766 2_766 ?
O15 Na4 W2 138.8(3) . 2_766 ?
O15 Na4 O14 166.3(4) . 2_766 ?
O15 Na4 O33 78.3(4) . 2_766 ?
O15 Na4 O33 75.5(4) . . ?
O15 Na4 O36 89.0(4) . . ?
O15 Na4 Na1 61.4(3) . 1_655 ?
O15 Na4 Na4 70.7(3) . 2_766 ?
O33 Na4 W2 69.2(3) 2_766 2_766 ?
O33 Na4 W2 82.0(3) . 2_766 ?
O33 Na4 O14 97.4(4) . 2_766 ?
O33 Na4 O33 93.8(4) . 2_766 ?
O33 Na4 O36 91.7(5) . . ?
O33 Na4 Na1 72.7(3) 2_766 1_655 ?
O33 Na4 Na1 136.5(4) . 1_655 ?
O33 Na4 Na4 45.9(3) 2_766 2_766 ?
O33 Na4 Na4 47.9(3) . 2_766 ?
O34 Na4 W2 103.0(4) . 2_766 ?
O34 Na4 O14 90.1(4) . 2_766 ?
O34 Na4 O15 96.2(4) . . ?
O34 Na4 O33 171.2(5) . . ?
O34 Na4 O33 81.5(5) . 2_766 ?
O34 Na4 O36 91.1(5) . . ?
O34 Na4 Na1 34.9(3) . 1_655 ?
O34 Na4 Na4 127.0(5) . 2_766 ?
O36 Na4 W2 126.2(4) . 2_766 ?
O36 Na4 O14 103.1(4) . 2_766 ?
O36 Na4 O33 164.4(5) . 2_766 ?
O36 Na4 Na1 93.3(4) . 1_655 ?
O36 Na4 Na4 137.5(4) . 2_766 ?
Na4 Na4 W2 68.6(2) 2_766 2_766 ?
Na4 Na4 Na1 107.6(3) 2_766 1_655 ?
W1 Na5 W2 63.81(12) 2_665 2_665 ?
W1 Na5 W7 59.11(11) 2_665 2_665 ?
W1 Na5 W8 91.42(14) 2_665 2_665 ?
W1 Na5 Na1 123.9(2) 2_665 2_565 ?
W2 Na5 W8 57.40(10) 2_665 2_665 ?
W2 Na5 Na1 81.65(18) 2_665 2_565 ?
W7 Na5 W2 91.75(14) 2_665 2_665 ?
W7 Na5 W8 63.21(11) 2_665 2_665 ?
W7 Na5 Na1 169.3(3) 2_665 2_565 ?
W8 Na5 Na1 106.1(2) 2_665 2_565 ?
O5 Na5 W1 32.4(2) 2_665 2_665 ?
O5 Na5 W2 31.5(2) 2_665 2_665 ?
O5 Na5 W7 75.3(3) 2_665 2_665 ?
O5 Na5 W8 73.6(3) 2_665 2_665 ?
O5 Na5 O16 62.9(3) 2_665 2_665 ?
O5 Na5 O21 61.5(3) 2_665 2_665 ?
O5 Na5 O23 75.8(3) 2_665 2_665 ?
O5 Na5 Na1 102.4(3) 2_665 2_565 ?
O16 Na5 W1 34.9(2) 2_665 2_665 ?
O16 Na5 W2 90.8(3) 2_665 2_665 ?
O16 Na5 W7 31.1(2) 2_665 2_665 ?
O16 Na5 W8 88.3(3) 2_665 2_665 ?
O16 Na5 O21 105.2(4) 2_665 2_665 ?
O16 Na5 O23 61.2(3) 2_665 2_665 ?
O16 Na5 Na1 156.2(4) 2_665 2_565 ?
O21 Na5 W1 90.8(3) 2_665 2_665 ?
O21 Na5 W2 33.8(2) 2_665 2_665 ?
O21 Na5 W7 89.1(3) 2_665 2_665 ?
O21 Na5 W8 31.1(2) 2_665 2_665 ?
O21 Na5 Na1 80.7(3) 2_665 2_565 ?
O23 Na5 W1 77.4(3) 2_665 2_665 ?
O23 Na5 W2 75.6(2) 2_665 2_665 ?
O23 Na5 W7 32.8(2) 2_665 2_665 ?
O23 Na5 W8 30.9(2) 2_665 2_665 ?
O23 Na5 O21 60.0(3) 2_665 2_665 ?
O23 Na5 Na1 136.6(4) 2_665 2_565 ?
O25 Na5 W1 96.3(3) . 2_665 ?
O25 Na5 W2 158.3(4) . 2_665 ?
O25 Na5 W7 84.5(3) . 2_665 ?
O25 Na5 W8 136.4(4) . 2_665 ?
O25 Na5 O5 127.8(5) . 2_665 ?
O25 Na5 O16 75.0(4) . 2_665 ?
O25 Na5 O21 166.2(5) . 2_665 ?
O25 Na5 O23 110.0(4) . 2_665 ?
O25 Na5 O37 80.9(5) . 2_565 ?
O25 Na5 O38 94.0(5) . 2_565 ?
O25 Na5 Na1 104.8(3) . 2_565 ?
O37 Na5 W1 166.1(5) 2_565 2_665 ?
O37 Na5 W2 116.2(4) 2_565 2_665 ?
O37 Na5 W7 133.5(5) 2_565 2_665 ?
O37 Na5 W8 100.0(5) 2_565 2_665 ?
O37 Na5 O5 145.1(5) 2_565 2_665 ?
O37 Na5 O16 152.1(5) 2_565 2_665 ?
O37 Na5 O21 95.0(5) 2_565 2_665 ?
O37 Na5 O23 116.4(5) 2_565 2_665 ?
O37 Na5 Na1 45.2(4) 2_565 2_565 ?
O38 Na5 W1 85.3(4) 2_565 2_665 ?
O38 Na5 W2 76.5(4) 2_565 2_665 ?
O38 Na5 W7 143.8(5) 2_565 2_665 ?
O38 Na5 W8 129.5(4) 2_565 2_665 ?
O38 Na5 O5 77.5(4) 2_565 2_665 ?
O38 Na5 O16 113.7(5) 2_565 2_665 ?
O38 Na5 O21 98.4(4) 2_565 2_665 ?
O38 Na5 O23 151.6(5) 2_565 2_665 ?
O38 Na5 O37 81.4(5) 2_565 2_565 ?
O38 Na5 Na1 42.6(4) 2_565 2_565 ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 W2 O14 W3 -8.5(4) . . . . ?
O1 W2 O14 Na4 -173.6(5) . . . 2_766 ?
O1 W2 O15 Na4 -101(2) . . . . ?
O1 W2 O28 Co1 -125.5(6) . . . . ?
O1 W2 O28 Co2 35.1(7) . . . 2_666 ?
O1 W8 O22 W9 63.4(13) . . . . ?
O1 V1 O2 W1 -63.3(6) . . . . ?
O1 V1 O2 W6 178.3(5) . . . . ?
O1 V1 O2 W7 56.7(6) . . . . ?
O1 V1 O3 W4 63.7(6) . . . . ?
O1 V1 O3 W5 -177.9(5) . . . . ?
O1 V1 O3 W9 -57.7(6) . . . . ?
O1 V1 O4 Co1 -119.5(5) . . . 2_666 ?
O1 V1 O4 Co2 -1.0(7) . . . 2_666 ?
O1 V1 O4 Co2 122.5(5) . . . . ?
O2 W1 O6 Na3 85(2) . . . . ?
O2 W1 O41 Co1 126.8(6) . . . . ?
O2 W1 O41 Co2 -35.9(7) . . . . ?
O2 W6 O9 Na1 -163.4(13) . . . . ?
O2 W6 O9 Na2 -49(2) . . . . ?
O2 W6 O40 Co2 29.5(8) . . . . ?
O2 W7 O16 W1 -3.5(5) . . . . ?
O2 W7 O16 Na5 108.8(4) . . . 2_665 ?
O2 W7 O17 W6 2.3(5) . . . . ?
O2 W7 O24 W9 -60.2(13) . . . . ?
O2 V1 O1 W2 63.2(6) . . . . ?
O2 V1 O1 W3 -177.3(5) . . . . ?
O2 V1 O1 W8 -56.1(6) . . . . ?
O2 V1 O3 W4 179.0(5) . . . . ?
O2 V1 O3 W5 -62.5(6) . . . . ?
O2 V1 O3 W9 57.7(7) . . . . ?
O2 V1 O4 Co1 119.3(6) . . . 2_666 ?
O2 V1 O4 Co2 -122.1(5) . . . 2_666 ?
O2 V1 O4 Co2 1.4(6) . . . . ?
O3 W9 O18 W5 -3.3(5) . . . . ?
O3 W9 O19 W4 4.4(5) . . . . ?
O3 V1 O1 W2 177.8(5) . . . . ?
O3 V1 O1 W3 -62.8(6) . . . . ?
O3 V1 O1 W8 58.5(6) . . . . ?
O3 V1 O2 W1 -177.7(5) . . . . ?
O3 V1 O2 W6 63.9(6) . . . . ?
O3 V1 O2 W7 -57.7(6) . . . . ?
O3 V1 O4 Co1 -0.3(7) . . . 2_666 ?
O3 V1 O4 Co2 118.2(5) . . . 2_666 ?
O3 V1 O4 Co2 -118.3(5) . . . . ?
O4 V1 O1 W2 -60.1(6) . . . . ?
O4 V1 O1 W3 59.3(6) . . . . ?
O4 V1 O1 W8 -179.4(5) . . . . ?
O4 V1 O2 W1 59.8(7) . . . . ?
O4 V1 O2 W6 -58.5(6) . . . . ?
O4 V1 O2 W7 179.9(5) . . . . ?
O4 V1 O3 W4 -58.3(7) . . . . ?
O4 V1 O3 W5 60.1(6) . . . . ?
O4 V1 O3 W9 -179.7(5) . . . . ?
O5 W1 O6 Na3 -162.2(11) . . . . ?
O5 W1 O41 Co1 43.9(6) . . . . ?
O5 W1 O41 Co2 -118.8(7) . . . . ?
O5 W2 O14 W3 -19.9(12) . . . . ?
O5 W2 O14 Na4 175.1(7) . . . 2_766 ?
O5 W2 O15 Na4 153.1(11) . . . . ?
O5 W2 O28 Co1 -42.9(6) . . . . ?
O5 W2 O28 Co2 117.7(7) . . . 2_666 ?
O6 W1 O41 Co1 -58.2(7) . . . . ?
O6 W1 O41 Co2 139.1(7) . . . . ?
O7 W1 O6 Na3 27.7(12) . . . . ?
O7 W1 O41 Co1 -160.6(6) . . . . ?
O7 W1 O41 Co2 36.7(8) . . . . ?
O7 W6 O9 Na1 -113.0(10) . . . . ?
O7 W6 O9 Na2 1.7(5) . . . . ?
O7 W6 O40 Co2 -42.5(8) . . . . ?
O8 W6 O9 Na1 77.1(10) . . . . ?
O8 W6 O9 Na2 -168.2(5) . . . . ?
O8 W6 O40 Co2 112.0(8) . . . . ?
O9 W6 O40 Co2 -143.0(8) . . . . ?
O14 W2 O15 Na4 -36.1(12) . . . . ?
O14 W2 O28 Co1 161.6(6) . . . . ?
O14 W2 O28 Co2 -37.8(7) . . . 2_666 ?
O15 W2 O14 W3 -177.8(5) . . . . ?
O15 W2 O14 Na4 17.2(6) . . . 2_766 ?
O15 W2 O28 Co1 58.1(7) . . . . ?
O15 W2 O28 Co2 -141.3(7) . . . 2_666 ?
O16 W1 O6 Na3 112.0(11) . . . . ?
O16 W1 O41 Co1 119.6(9) . . . . ?
O16 W1 O41 Co2 -43.1(15) . . . . ?
O16 W7 O17 W6 -68.0(6) . . . . ?
O16 W7 O24 W9 -43.9(19) . . . . ?
O16 W7 O25 Na5 -53.2(9) . . . . ?
O17 W6 O9 Na1 163.6(9) . . . . ?
O17 W6 O9 Na2 -81.7(5) . . . . ?
O17 W6 O40 Co2 27.1(16) . . . . ?
O17 W7 O16 W1 67.9(6) . . . . ?
O17 W7 O16 Na5 -179.8(4) . . . 2_665 ?
O17 W7 O24 W9 -132.6(13) . . . . ?
O17 W7 O25 Na5 39.6(9) . . . . ?
O18 W9 O19 W4 -65.4(6) . . . . ?
O19 W9 O18 W5 66.8(6) . . . . ?
O20 W8 O22 W9 134.3(14) . . . . ?
O21 W2 O14 W3 -82.5(5) . . . . ?
O21 W2 O14 Na4 112.4(5) . . . 2_766 ?
O21 W2 O15 Na4 -122.7(12) . . . . ?
O21 W2 O28 Co1 -113.5(11) . . . . ?
O21 W2 O28 Co2 47.1(16) . . . 2_666 ?
O21 W8 O22 W9 48(2) . . . . ?
O22 W9 O18 W5 -21.6(13) . . . . ?
O22 W9 O19 W4 88.7(6) . . . . ?
O23 W7 O16 W1 -90.0(6) . . . . ?
O23 W7 O16 Na5 22.3(4) . . . 2_665 ?
O23 W7 O17 W6 11.8(14) . . . . ?
O23 W7 O24 W9 25.8(13) . . . . ?
O23 W7 O25 Na5 -141.8(8) . . . . ?
O23 W8 O22 W9 -23.3(13) . . . . ?
O24 W7 O16 W1 -20.5(14) . . . . ?
O24 W7 O16 Na5 91.8(10) . . . 2_665 ?
O24 W7 O17 W6 86.2(6) . . . . ?
O24 W7 O25 Na5 131.0(9) . . . . ?
O24 W9 O18 W5 -87.9(6) . . . . ?
O24 W9 O19 W4 21.6(13) . . . . ?
O25 W7 O16 W1 169.0(6) . . . . ?
O25 W7 O16 Na5 -78.7(5) . . . 2_665 ?
O25 W7 O17 W6 -171.8(6) . . . . ?
O25 W7 O24 W9 126.6(13) . . . . ?
O26 W9 O18 W5 170.4(6) . . . . ?
O26 W9 O19 W4 -169.5(6) . . . . ?
O27 W8 O22 W9 -124.1(13) . . . . ?
O28 W2 O14 W3 76.5(5) . . . . ?
O28 W2 O14 Na4 -88.5(5) . . . 2_766 ?
O28 W2 O15 Na4 60.3(12) . . . . ?
O40 W6 O9 Na1 -20.2(11) . . . . ?
O40 W6 O9 Na2 94.5(5) . . . . ?
O41 W1 O6 Na3 -68.9(12) . . . . ?
Na2 W6 O9 Na1 -114.7(11) . . . . ?
Na2 W6 O40 Co2 -91.2(8) . . . . ?
Na4 W2 O14 W3 165.0(8) 2_766 . . . ?
Na4 W2 O15 Na4 -25.1(11) 2_766 . . . ?
Na4 W2 O28 Co1 125.0(5) 2_766 . . . ?
Na4 W2 O28 Co2 -74.4(7) 2_766 . . 2_666 ?
Na5 W1 O6 Na3 156.0(11) 2_665 . . . ?
Na5 W1 O41 Co1 38.7(8) 2_665 . . . ?
Na5 W1 O41 Co2 -123.9(6) 2_665 . . . ?
Na5 W2 O14 W3 -84.7(5) 2_665 . . . ?
Na5 W2 O14 Na4 110.3(4) 2_665 . . 2_766 ?
Na5 W2 O15 Na4 -167.3(12) 2_665 . . . ?
Na5 W2 O28 Co1 -37.4(7) 2_665 . . . ?
Na5 W2 O28 Co2 123.1(6) 2_665 . . 2_666 ?
Na5 W7 O16 W1 -112.3(8) 2_665 . . . ?
Na5 W7 O17 W6 -68.2(7) 2_665 . . . ?
Na5 W7 O24 W9 23.4(15) 2_665 . . . ?
Na5 W7 O25 Na5 -96.6(8) 2_665 . . . ?
Na5 W8 O22 W9 -20.4(16) 2_665 . . . ?

# start Validation Reply Form
_vrf_PLAT029_dm_139_V-Co4_POM    
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.888 Why?  
RESPONSE: The crystal was weakly diffracting. Thus, low completeness was obtained
;
_vrf_PLAT306_dm_139_V-Co4_POM    
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O33 Check 
RESPONSE: These are solvent water molecules, hydrogen atoms unable to be located. 
Few Oxygens are Coordinated to Na.
;
_vrf_PLAT430_dm_139_V-Co4_POM    
;
PROBLEM: Short Inter D...A Contact  O11      ..O36      .       2.78 Ang.  
		     -1+x,-1+y,z  =      1_445 Check 
RESPONSE: The oxygen atoms coordinated to Na without any hydrogen. 
Other oxygen atom is from cluster framework. The distance between them is reasonable.
;
_vrf_PLAT911_dm_139_V-Co4_POM    
;
PROBLEM: Missing FCF Refl Between Thmin & STh/L=    0.600        926 Report
RESPONSE: The crystal was weakly diffracting. Thus, low completeness was obtained
;
# end Validation Reply Form

_olex2_submission_special_instructions 'No special instructions were received'

_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: water'
