# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_wy_cuw12-sr
_database_code_depnum_ccdc_archive 'CCDC 2151867'
loop_
_audit_author_name
_audit_author_address
JIANG
;zhejiang normal university
China
;
_audit_update_record             
;
2022-02-12 deposited with the CCDC.	2022-12-20 downloaded from the CCDC.
;
_audit_creation_date             2022-02-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6392)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C8 H12 Cu2 Na3 O32 W6'
_chemical_formula_sum            'C8 H12 Cu2 Na3 O32 W6'
_chemical_formula_weight         1919.33
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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      tetragonal
_space_group_IT_number           119
_space_group_name_H-M_alt        'I -4 m 2'
_space_group_name_Hall           'I -4 -2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z'
'-x, y, z'
'y, x, -z'
'-y, -x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'

_cell_length_a                   17.2890(9)
_cell_length_b                   17.2890(9)
_cell_length_c                   13.0589(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3903.4(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9879
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      3.06
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    18.799
_exptl_absorpt_correction_T_max  0.0468
_exptl_absorpt_correction_T_min  0.0117
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    3.266
_exptl_crystal_density_meas      none
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             3404
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_unetI/netI     0.0223
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            11202
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.986
_diffrn_reflns_theta_min         3.062
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.829
_reflns_Friedel_fraction_full    0.993
_reflns_Friedel_fraction_max     0.994
_reflns_number_gt                2046
_reflns_number_total             2050
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.449
_refine_diff_density_min         -1.230
_refine_diff_density_rms         0.253
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.48(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     148
_refine_ls_number_reflns         2050
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0267
_refine_ls_R_factor_gt           0.0267
_refine_ls_restrained_S_all      1.134
_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)+(0.0558P)²+31.6164P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0802
_refine_ls_wR_factor_ref         0.0802
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.52(3)
 0.48(3)
2. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
3. Uiso/Uaniso restraints and constraints
Uanis(O1AA) \\sim Ueq, Uanis(Na1) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.02
4. Others
 Fixed Sof: Na1(0.4) Na0A(0.35) H2A(0.5) H2B(0.5) H2C(0.5) H4A(0.5) H4B(0.5)
 H4C(0.5) O1AA(0.35) O1AB(0.15)
5.a Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C4(H4A,H4B,H4C)
;
_atom_sites_solution_hydrogens   geom
_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 0.39438(3) 0.59510(3) 0.31043(3) 0.02489(18) Uani 1 1 d . . . . .
W2 W 0.29940(4) 0.500000 0.49021(5) 0.02394(19) Uani 1 2 d S T P . .
Cu1 Cu 0.07537(11) 0.500000 0.50420(17) 0.0200(4) Uani 1 2 d S T P . .
Na1 Na 0.1861(8) 0.6905(9) 0.3797(15) 0.044(4) Uani 0.4 1 d . U P . .
Na0A Na 0.3206(9) 0.8039(9) 0.3801(14) 0.036(4) Uani 0.35 1 d . . P . .
O1 O 0.2003(7) 0.500000 0.5117(12) 0.028(3) Uani 1 2 d S T P . .
O2 O 0.3342(5) 0.5763(5) 0.5830(7) 0.0270(19) Uani 1 1 d . . . . .
O3 O 0.2973(6) 0.5786(5) 0.3853(8) 0.029(2) Uani 1 1 d . . . . .
O4 O 0.500000 0.5881(8) 0.2773(10) 0.028(3) Uani 1 2 d S T P . .
O5 O 0.3569(6) 0.6574(6) 0.2231(6) 0.032(2) Uani 1 1 d . . . . .
O6 O 0.3759(8) 0.500000 0.2368(10) 0.030(3) Uani 1 2 d S T P . .
O7 O 0.0641(5) 0.5816(6) 0.6093(7) 0.0251(19) Uani 1 1 d . . . . .
O8 O 0.0648(6) 0.4189(6) 0.3991(7) 0.0275(19) Uani 1 1 d . . . . .
O9 O 0.4160(7) 0.500000 0.4232(9) 0.023(3) Uani 1 2 d S T P . .
C1 C 0.000000 0.6099(9) 0.6353(11) 0.020(3) Uani 1 2 d S T P . .
C2 C 0.000000 0.6766(11) 0.7085(14) 0.028(4) Uani 1 2 d S T P . .
H2A H 0.052738 0.685577 0.733243 0.042 Uiso 0.5 1 calc R U P . .
H2B H -0.033856 0.664696 0.766566 0.042 Uiso 0.5 1 calc R U P . .
H2C H -0.018882 0.723017 0.673491 0.042 Uiso 0.5 1 calc R U P . .
C3 C 0.000000 0.3938(10) 0.3692(13) 0.021(3) Uani 1 2 d S T P . .
C4 C 0.000000 0.3290(10) 0.2944(16) 0.030(4) Uani 1 2 d S T P . .
H4A H -0.053405 0.316121 0.275935 0.045 Uiso 0.5 1 calc R U P . .
H4B H 0.024979 0.283742 0.325038 0.045 Uiso 0.5 1 calc R U P . .
H4C H 0.028425 0.344574 0.232785 0.045 Uiso 0.5 1 calc R U P . .
O0AA O 0.2519(6) 0.7519(6) 0.250000 0.033(3) Uani 1 2 d S T P . .
O1AA O 0.2057(8) 0.7943(8) 0.500000 0.056(6) Uani 0.7 2 d S TU P . .
O1AB O 0.289(2) 0.711(2) 0.500000 0.039(10) Uiso 0.3 2 d S . 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 O2 1.920(9) 8_666 ?
W1 O3 1.963(9) . ?
W1 O4 1.881(3) . ?
W1 O5 1.698(9) . ?
W1 O6 1.931(7) . ?
W1 O9 2.238(9) . ?
W2 O1 1.736(12) . ?
W2 O2 1.889(9) 5_565 ?
W2 O2 1.889(9) . ?
W2 O3 1.931(10) 5_565 ?
W2 O3 1.931(10) . ?
W2 O9 2.198(12) . ?
Cu1 Cu1 2.606(4) 2_565 ?
Cu1 O1 2.163(12) . ?
Cu1 O7 1.978(10) 5_565 ?
Cu1 O7 1.978(10) . ?
Cu1 O8 1.970(9) 5_565 ?
Cu1 O8 1.970(9) . ?
Na1 Na1 3.39(4) 15_455 ?
Na1 Na0A 3.15(2) 8_666 ?
Na1 Na0A 3.043(17) . ?
Na1 O3 2.728(16) . ?
Na1 O8 2.835(17) 5_565 ?
Na1 O0AA 2.300(19) . ?
Na1 O1AA 2.41(2) . ?
Na1 O1AB 2.40(3) . ?
Na0A Na0A 3.42(4) 15_455 ?
Na0A O2 3.018(18) 8_666 ?
Na0A O7 2.842(17) 8_666 ?
Na0A O0AA 2.260(18) . ?
Na0A O1AA 2.54(2) . ?
Na0A O1AB 2.31(2) . ?
O7 C1 1.259(11) . ?
O8 C3 1.264(13) . ?
C1 C2 1.50(2) . ?
C2 H2A 0.98(5) 6 ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2B 0.98(16) 6 ?
C2 H2C 0.9800 . ?
C2 H2C 0.98(11) 6 ?
C3 C4 1.49(3) . ?
C4 H4A 0.980(12) 6 ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4B 0.98(13) 6 ?
C4 H4C 0.98(15) 6 ?
C4 H4C 0.9800 . ?

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 O3 87.6(4) 8_666 . ?
O2 W1 O6 161.2(4) 8_666 . ?
O2 W1 O9 87.0(4) 8_666 . ?
O3 W1 O9 73.1(4) . . ?
O4 W1 O2 87.2(5) . 8_666 ?
O4 W1 O3 159.3(5) . . ?
O4 W1 O6 89.5(6) . . ?
O4 W1 O9 86.7(5) . . ?
O5 W1 O2 100.6(4) . 8_666 ?
O5 W1 O3 95.8(5) . . ?
O5 W1 O4 104.9(5) . . ?
O5 W1 O6 98.2(5) . . ?
O5 W1 O9 166.4(5) . . ?
O6 W1 O3 89.0(5) . . ?
O6 W1 O9 74.3(4) . . ?
O1 W2 O2 102.1(5) . . ?
O1 W2 O2 102.2(5) . 5_565 ?
O1 W2 O3 95.5(5) . 5_565 ?
O1 W2 O3 95.5(5) . . ?
O1 W2 O9 165.8(6) . . ?
O2 W2 O2 88.5(5) . 5_565 ?
O2 W2 O3 162.3(4) . 5_565 ?
O2 W2 O3 88.3(4) 5_565 5_565 ?
O2 W2 O3 88.3(4) . . ?
O2 W2 O3 162.3(4) 5_565 . ?
O2 W2 O9 87.9(4) 5_565 . ?
O2 W2 O9 87.9(4) . . ?
O3 W2 O3 89.5(6) . 5_565 ?
O3 W2 O9 74.6(3) . . ?
O3 W2 O9 74.6(3) 5_565 . ?
O1 Cu1 Cu1 177.4(4) . 2_565 ?
O7 Cu1 Cu1 84.4(3) 5_565 2_565 ?
O7 Cu1 Cu1 84.4(3) . 2_565 ?
O7 Cu1 O1 93.8(4) 5_565 . ?
O7 Cu1 O1 93.8(4) . . ?
O7 Cu1 O7 91.0(6) . 5_565 ?
O8 Cu1 Cu1 84.7(3) 5_565 2_565 ?
O8 Cu1 Cu1 84.7(3) . 2_565 ?
O8 Cu1 O1 97.1(4) 5_565 . ?
O8 Cu1 O1 97.1(4) . . ?
O8 Cu1 O7 88.1(3) 5_565 . ?
O8 Cu1 O7 169.1(4) 5_565 5_565 ?
O8 Cu1 O7 169.1(4) . . ?
O8 Cu1 O7 88.1(3) . 5_565 ?
O8 Cu1 O8 90.7(6) . 5_565 ?
Na0A Na1 Na1 89.9(6) . 15_455 ?
Na0A Na1 Na1 173.5(8) 8_666 15_455 ?
Na0A Na1 Na0A 89.8(8) . 8_666 ?
O3 Na1 Na1 89.7(7) . 15_455 ?
O3 Na1 Na0A 85.3(5) . . ?
O3 Na1 Na0A 83.8(5) . 8_666 ?
O3 Na1 O8 92.6(5) . 5_565 ?
O8 Na1 Na1 95.2(5) 5_565 15_455 ?
O8 Na1 Na0A 174.4(9) 5_565 . ?
O8 Na1 Na0A 84.9(6) 5_565 8_666 ?
O0AA Na1 Na1 42.6(5) . 15_455 ?
O0AA Na1 Na0A 137.3(8) . 8_666 ?
O0AA Na1 Na0A 47.6(5) . . ?
O0AA Na1 O3 89.9(6) . . ?
O0AA Na1 O8 137.7(9) . 5_565 ?
O0AA Na1 O1AA 93.8(5) . . ?
O0AA Na1 O1AB 92.7(5) . . ?
O1AA Na1 Na1 131.7(5) . 15_455 ?
O1AA Na1 Na0A 53.9(5) . . ?
O1AA Na1 Na0A 52.3(5) . 8_666 ?
O1AA Na1 O3 114.3(7) . . ?
O1AA Na1 O8 122.8(7) . 5_565 ?
O1AB Na1 Na1 129.9(7) . 15_455 ?
O1AB Na1 Na0A 46.8(6) . 8_666 ?
O1AB Na1 Na0A 48.4(5) . . ?
O1AB Na1 O3 64.3(11) . . ?
O1AB Na1 O8 126.1(7) . 5_565 ?
O1AB Na1 O1AA 50.0(12) . . ?
Na1 Na0A Na1 89.4(8) . 8_666 ?
Na1 Na0A Na0A 89.3(5) . 15_455 ?
Na1 Na0A Na0A 168.4(8) 8_666 15_455 ?
O2 Na0A Na1 86.7(5) 8_666 . ?
O2 Na0A Na1 85.4(5) 8_666 8_666 ?
O2 Na0A Na0A 106.0(8) 8_666 15_455 ?
O7 Na0A Na1 86.8(6) 8_666 8_666 ?
O7 Na0A Na1 166.4(7) 8_666 . ?
O7 Na0A Na0A 91.8(4) 8_666 15_455 ?
O7 Na0A O2 106.0(5) 8_666 8_666 ?
O0AA Na0A Na1 137.6(8) . 8_666 ?
O0AA Na0A Na1 48.7(5) . . ?
O0AA Na0A Na0A 40.8(5) . 15_455 ?
O0AA Na0A O2 96.6(6) . 8_666 ?
O0AA Na0A O7 132.0(8) . 8_666 ?
O0AA Na0A O1AA 91.5(6) . . ?
O0AA Na0A O1AB 96.2(6) . . ?
O1AA Na0A Na1 50.2(5) . . ?
O1AA Na0A Na1 48.7(5) . 8_666 ?
O1AA Na0A Na0A 123.5(6) . 15_455 ?
O1AA Na0A O2 108.2(7) . 8_666 ?
O1AA Na0A O7 119.2(7) . 8_666 ?
O1AB Na0A Na1 49.2(6) . 8_666 ?
O1AB Na0A Na1 51.0(6) . . ?
O1AB Na0A Na0A 135.4(5) . 15_455 ?
O1AB Na0A O2 58.9(12) . 8_666 ?
O1AB Na0A O7 131.8(7) . 8_666 ?
O1AB Na0A O1AA 49.4(12) . . ?
W2 O1 Cu1 168.1(9) . . ?
W1 O2 Na0A 103.4(5) 8_666 8_666 ?
W2 O2 W1 148.4(5) . 8_666 ?
W2 O2 Na0A 105.2(5) . 8_666 ?
W1 O3 Na1 119.1(5) . . ?
W2 O3 W1 116.1(5) . . ?
W2 O3 Na1 122.1(6) . . ?
W1 O4 W1 152.3(8) . 6_655 ?
W1 O6 W1 116.7(7) . 5_565 ?
Cu1 O7 Na0A 112.3(5) . 8_666 ?
C1 O7 Cu1 123.5(8) . . ?
C1 O7 Na0A 117.5(9) . 8_666 ?
Cu1 O8 Na1 118.0(6) . 5_565 ?
C3 O8 Cu1 122.8(10) . . ?
C3 O8 Na1 113.6(9) . 5_565 ?
W1 O9 W1 94.5(5) 5_565 . ?
W2 O9 W1 96.3(4) . 5_565 ?
W2 O9 W1 96.3(4) . . ?
O7 C1 O7 123.5(14) 6 . ?
O7 C1 C2 118.2(7) . . ?
O7 C1 C2 118.1(7) 6 . ?
C1 C2 H2A 109.5(11) . 6 ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109(3) . 6 ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109(2) . 6 ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2A 137.0 . 6 ?
H2A C2 H2B 38.9 . 6 ?
H2A C2 H2B 109.5 6 6 ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 6 6 ?
H2A C2 H2C 109.5 . . ?
H2A C2 H2C 73.3 . 6 ?
H2B C2 H2A 38.9 . 6 ?
H2B C2 H2B 73.4 . 6 ?
H2B C2 H2C 137.0 . 6 ?
H2B C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 6 6 ?
H2C C2 H2A 73.4 . 6 ?
H2C C2 H2B 137.0 . 6 ?
H2C C2 H2C 38.9 . 6 ?
O8 C3 O8 125.0(17) . 6 ?
O8 C3 C4 117.5(9) 6 . ?
O8 C3 C4 117.5(9) . . ?
C3 C4 H4A 109.5(2) . 6 ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109(3) . 6 ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109(3) . 6 ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4A 140.8 . 6 ?
H4A C4 H4B 109.5 6 6 ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4B 60.2 . 6 ?
H4A C4 H4C 109.5 6 6 ?
H4A C4 H4C 52.3 . 6 ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4A 60.2 . 6 ?
H4B C4 H4B 52.3 . 6 ?
H4B C4 H4C 109.5 6 6 ?
H4B C4 H4C 109.5 . . ?
H4B C4 H4C 140.8 . 6 ?
H4C C4 H4A 52.3 . 6 ?
H4C C4 H4B 140.8 . 6 ?
H4C C4 H4C 60.2 . 6 ?
Na1 O0AA Na1 94.9(10) . 15_455 ?
Na0A O0AA Na1 83.7(5) 15_455 15_455 ?
Na0A O0AA Na1 173.3(5) . 15_455 ?
Na0A O0AA Na1 173.3(5) 15_455 . ?
Na0A O0AA Na1 83.7(5) . . ?
Na0A O0AA Na0A 98.4(10) 15_455 . ?
Na1 O1AA Na1 129.4(11) . 8_666 ?
Na1 O1AA Na0A 75.9(5) 8_666 8_666 ?
Na1 O1AA Na0A 79.0(6) . 8_666 ?
Na1 O1AA Na0A 79.0(6) 8_666 . ?
Na1 O1AA Na0A 75.9(5) . . ?
Na0A O1AA Na0A 118.9(10) 8_666 . ?
Na1 O1AB Na1 131(2) . 8_666 ?
Na0A O1AB Na1 80.5(9) . . ?
Na0A O1AB Na1 80.5(9) 8_666 8_666 ?
Na0A O1AB Na1 83.9(10) . 8_666 ?
Na0A O1AB Na1 83.9(10) 8_666 . ?
Na0A O1AB Na0A 142(2) 8_666 . ?

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
Cu1 O7 C1 O7 11(2) . . . 6 ?
Cu1 O7 C1 C2 -174.3(11) . . . . ?
Cu1 O8 C3 O8 3(2) . . . 6 ?
Cu1 O8 C3 C4 -176.2(12) . . . . ?
Na1 O8 C3 O8 155.5(12) 5_565 . . 6 ?
Na1 O8 C3 C4 -23.5(18) 5_565 . . . ?
Na0A O7 C1 O7 160.3(11) 8_666 . . 6 ?
Na0A O7 C1 C2 -25.3(18) 8_666 . . . ?
O1 W2 O2 W1 130.4(10) . . . 8_666 ?
O1 W2 O2 Na0A -24.0(6) . . . 8_666 ?
O2 W1 O4 W1 24.7(18) 8_666 . . 6_655 ?
O2 W2 O1 Cu1 -134.4(3) 5_565 . . . ?
O2 W2 O1 Cu1 134.4(3) . . . . ?
O2 W2 O2 W1 28.3(12) 5_565 . . 8_666 ?
O2 W2 O2 Na0A -126.1(4) 5_565 . . 8_666 ?
O3 W1 O4 W1 -51(3) . . . 6_655 ?
O3 W2 O1 Cu1 -45.0(3) 5_565 . . . ?
O3 W2 O1 Cu1 45.0(3) . . . . ?
O3 W2 O2 W1 -51.3(19) 5_565 . . 8_666 ?
O3 W2 O2 W1 -134.3(10) . . . 8_666 ?
O3 W2 O2 Na0A 154.3(12) 5_565 . . 8_666 ?
O3 W2 O2 Na0A 71.3(5) . . . 8_666 ?
O5 W1 O4 W1 124.9(17) . . . 6_655 ?
O6 W1 O4 W1 -136.7(17) . . . 6_655 ?
O9 W1 O4 W1 -62.4(18) . . . 6_655 ?
O9 W2 O1 Cu1 0.000(8) . . . . ?
O9 W2 O2 W1 -59.7(10) . . . 8_666 ?
O9 W2 O2 Na0A 145.9(5) . . . 8_666 ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.52(3)
2 0.48(3)

