# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_V26039
_database_code_depnum_ccdc_archive 'CCDC 2550952'
loop_
_audit_author_name
_audit_author_address
'Michael Takase'
;California Institute of Technology
United States of America
;
_audit_update_record             
;
2026-04-30 deposited with the CCDC.	2026-06-26 downloaded from the CCDC.
;

_vrf_PLAT971_V26039              
;
PROBLEM: Check Calcd Resid. Dens.  2.70Ang From C8A             3.08 eA-3
RESPONSE: This residual density is not located in a chemically reasonable location. It is located on a 4-fold rotation axis and appears to be an artifact caused by the rotation axis.
;
_vrf_PLAT971_V26039_2            
;
PROBLEM: Check Calcd Resid. Dens.  3.08Ang From C12             1.56 eA-3
RESPONSE: This residual density is not located in a chemically reasonable location. It is located on a 4-fold rotation axis and appears to be an artifact caused by the rotation axis.
;
# Added during the CSD deposition process: Thursday 30 April 2026 09:49 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        '[Na(THF)4][WO(ODmp)4]'
_chemical_name_common            '[Na(THF)4][WO(2,6-dimethylphenoxide)4]'
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C12 H17 Na0.25 O2.25 W0.25'
_chemical_formula_weight         248.96

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'
O O 0.0106 0.0060 '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'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           130
_space_group_name_H-M_alt        'P 4/n c c'
_space_group_name_Hall           '-P 4a 2ac'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y+1/2, x, z'
'y, -x+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y, -x, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y-1/2, -x, -z'
'-y, x-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'
'-y-1/2, -x-1/2, z-1/2'
'y, x, z-1/2'

_cell_length_a                   13.4381(4)
_cell_length_b                   13.4381(4)
_cell_length_c                   25.9450(13)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4685.2(4)
_cell_formula_units_Z            16
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9888
_cell_measurement_theta_min      2.66
_cell_measurement_theta_max      30.45

_exptl_crystal_description       Block
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_F_000             2052
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    2.527
_shelx_estimated_absorpt_T_min   0.786
_shelx_estimated_absorpt_T_max   0.786
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0680
_exptl_absorpt_correction_T_max  0.0998
_exptl_absorpt_process_details   'SADABS-2016/2 (Sheldrick, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'I\mS HB micro-focus sealed tube'
_diffrn_measurement_device_type  'Bruker D8 VENTURE Kappa Duo PHOTON II CPAD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 7.69
_diffrn_reflns_number            98370
_diffrn_reflns_av_unetI/netI     0.0074
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.657
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25.027
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             2083
_reflns_number_gt                1557
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'APEX3 v2019.11-0 (Bruker Nano, 2020)'
_computing_cell_refinement       'SAINT v8.40A (Bruker-AXS, 2013)'
_computing_data_reduction        'SAINT v8.40A (Bruker-AXS, 2013)'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+34.4048P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2083
_refine_ls_number_parameters     222
_refine_ls_number_restraints     507
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0364
_refine_ls_wR_factor_ref         0.0819
_refine_ls_wR_factor_gt          0.0705
_refine_ls_goodness_of_fit_ref   1.214
_refine_ls_restrained_S_all      1.092
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
O1 O 0.250000 0.250000 0.2824(3) 0.0298(15) Uani 1 4 d S T P A .
W1 W 0.250000 0.250000 0.34907(2) 0.02204(13) Uani 1 4 d DS TU P . .
O2 O 0.3494(5) 0.3484(5) 0.3713(2) 0.0288(14) Uani 0.605(6) 1 d D U P A 1
C1 C 0.4460(6) 0.3393(7) 0.3886(3) 0.039(2) Uani 0.605(6) 1 d D U P A 1
C2 C 0.5248(10) 0.312(2) 0.3561(5) 0.045(3) Uani 0.605(6) 1 d D U P A 1
C7 C 0.506(2) 0.300(3) 0.2993(5) 0.048(3) Uani 0.605(6) 1 d D U P A 1
H7A H 0.565570 0.320717 0.280097 0.072 Uiso 0.605(6) 1 calc R U P A 1
H7B H 0.449707 0.342068 0.289099 0.072 Uiso 0.605(6) 1 calc R U P A 1
H7C H 0.491110 0.230521 0.291710 0.072 Uiso 0.605(6) 1 calc R U P A 1
C3 C 0.6205(9) 0.3111(12) 0.3765(6) 0.052(4) Uani 0.605(6) 1 d D U P A 1
H3 H 0.675072 0.296079 0.354618 0.062 Uiso 0.605(6) 1 calc R U P A 1
C4 C 0.6380(11) 0.331(2) 0.4278(6) 0.057(4) Uani 0.605(6) 1 d D U P A 1
H4 H 0.703520 0.326305 0.441309 0.069 Uiso 0.605(6) 1 calc R U P A 1
C5 C 0.5609(7) 0.3581(8) 0.4592(4) 0.054(3) Uani 0.605(6) 1 d D U P A 1
H5 H 0.573429 0.373030 0.494436 0.065 Uiso 0.605(6) 1 calc R U P A 1
C6 C 0.4646(7) 0.3639(7) 0.4402(3) 0.042(2) Uani 0.605(6) 1 d D U P A 1
C8 C 0.3815(7) 0.3968(8) 0.4739(3) 0.045(2) Uani 0.605(6) 1 d D U P A 1
H8A H 0.346193 0.452153 0.457513 0.068 Uiso 0.605(6) 1 calc R U P A 1
H8B H 0.408067 0.418530 0.507255 0.068 Uiso 0.605(6) 1 calc R U P A 1
H8C H 0.335310 0.341258 0.479279 0.068 Uiso 0.605(6) 1 calc R U P A 1
O2A O 0.3803(7) 0.2018(8) 0.3718(4) 0.037(2) Uani 0.395(6) 1 d D U P A 2
C1A C 0.4659(8) 0.2496(9) 0.3870(4) 0.028(2) Uani 0.395(6) 1 d D U P A 2
C2A C 0.5249(16) 0.299(3) 0.3505(7) 0.042(3) Uani 0.395(6) 1 d D U P A 2
C7A C 0.495(3) 0.294(5) 0.2947(7) 0.045(5) Uani 0.395(6) 1 d D U P A 2
H7A1 H 0.462748 0.356746 0.284717 0.068 Uiso 0.395(6) 1 calc R U P A 2
H7A2 H 0.448179 0.238948 0.289731 0.068 Uiso 0.395(6) 1 calc R U P A 2
H7A3 H 0.554011 0.283457 0.273347 0.068 Uiso 0.395(6) 1 calc R U P A 2
C3A C 0.6152(14) 0.3381(19) 0.3668(8) 0.049(5) Uani 0.395(6) 1 d D U P A 2
H3A H 0.658067 0.369302 0.342579 0.059 Uiso 0.395(6) 1 calc R U P A 2
C4A C 0.6432(16) 0.332(3) 0.4176(8) 0.052(5) Uani 0.395(6) 1 d D U P A 2
H4A H 0.704306 0.360923 0.428138 0.062 Uiso 0.395(6) 1 calc R U P A 2
C5A C 0.5850(10) 0.2844(11) 0.4538(6) 0.045(3) Uani 0.395(6) 1 d D U P A 2
H5A H 0.606273 0.280343 0.488671 0.055 Uiso 0.395(6) 1 calc R U P A 2
C6A C 0.4949(9) 0.2427(10) 0.4390(4) 0.036(3) Uani 0.395(6) 1 d D U P A 2
C8A C 0.4340(11) 0.1810(12) 0.4754(5) 0.044(3) Uani 0.395(6) 1 d D U P A 2
H8A1 H 0.462546 0.185185 0.510079 0.065 Uiso 0.395(6) 1 calc R U P A 2
H8A2 H 0.434210 0.111502 0.463897 0.065 Uiso 0.395(6) 1 calc R U P A 2
H8A3 H 0.365504 0.205935 0.475978 0.065 Uiso 0.395(6) 1 calc R U P A 2
Na1 Na 0.250000 0.250000 0.19467(14) 0.0288(8) Uani 1 4 d DS T P . .
O3 O 0.1821(3) 0.0989(3) 0.16558(16) 0.0497(10) Uani 1 1 d D U . . .
C9 C 0.0982(5) 0.0517(5) 0.1887(3) 0.0580(16) Uani 1 1 d D U . . .
H9A H 0.037529 0.092549 0.184096 0.070 Uiso 1 1 calc R U . . .
H9B H 0.109432 0.040972 0.225961 0.070 Uiso 1 1 calc R U . . .
C10 C 0.0885(6) -0.0454(5) 0.1610(3) 0.072(2) Uani 1 1 d D U . . .
H10A H 0.134298 -0.095967 0.175447 0.087 Uiso 1 1 calc R U . . .
H10B H 0.019485 -0.070878 0.162575 0.087 Uiso 1 1 calc R U . . .
C11 C 0.1167(6) -0.0181(6) 0.1078(3) 0.076(2) Uani 1 1 d D U . . .
H11A H 0.060117 0.012305 0.089184 0.091 Uiso 1 1 calc R U . . .
H11B H 0.140483 -0.076871 0.088354 0.091 Uiso 1 1 calc R U . . .
C12 C 0.2000(5) 0.0566(6) 0.1161(3) 0.0606(18) Uani 1 1 d D U . . .
H12A H 0.265564 0.023117 0.115217 0.073 Uiso 1 1 calc R U . . .
H12B H 0.198500 0.108613 0.089120 0.073 Uiso 1 1 calc R U . . .


_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
O1 W1 1.731(7) . ?
O1 Na1 2.275(8) . ?
W1 O2A 1.958(8) . ?
W1 O2A 1.958(8) 3 ?
W1 O2A 1.958(8) 4 ?
W1 O2A 1.958(8) 2 ?
W1 O2 1.966(5) . ?
W1 O2 1.966(5) 2 ?
W1 O2 1.966(5) 3 ?
W1 O2 1.966(5) 4 ?
O2 C1 1.379(10) . ?
C1 C2 1.401(14) . ?
C1 C6 1.402(10) . ?
C2 C3 1.390(13) . ?
C2 C7 1.504(11) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C3 C4 1.377(12) . ?
C3 H3 0.9500 . ?
C4 C5 1.367(14) . ?
C4 H4 0.9500 . ?
C5 C6 1.387(11) . ?
C5 H5 0.9500 . ?
C6 C8 1.486(11) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
O2A C1A 1.376(12) . ?
C1A C2A 1.403(15) . ?
C1A C6A 1.407(12) . ?
C2A C3A 1.386(14) . ?
C2A C7A 1.505(13) . ?
C7A H7A1 0.9800 . ?
C7A H7A2 0.9800 . ?
C7A H7A3 0.9800 . ?
C3A C4A 1.375(14) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.378(15) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.388(13) . ?
C5A H5A 0.9500 . ?
C6A C8A 1.500(13) . ?
C8A H8A1 0.9800 . ?
C8A H8A2 0.9800 . ?
C8A H8A3 0.9800 . ?
Na1 O3 2.351(4) 2 ?
Na1 O3 2.351(4) 4 ?
Na1 O3 2.351(4) 3 ?
Na1 O3 2.351(4) . ?
O3 C12 1.424(7) . ?
O3 C9 1.426(7) . ?
C9 C10 1.495(9) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.477(11) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.518(8) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?

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
W1 O1 Na1 180.0 . . ?
O1 W1 O2A 107.5(3) . . ?
O1 W1 O2A 107.5(3) . 3 ?
O2A W1 O2A 84.81(17) . 3 ?
O1 W1 O2A 107.5(3) . 4 ?
O1 W1 O2A 107.5(3) . 2 ?
O2A W1 O2A 145.0(6) . 2 ?
O2A W1 O2A 84.80(17) 3 2 ?
O2A W1 O2A 84.80(17) 4 2 ?
O1 W1 O2 107.08(16) . . ?
O1 W1 O2 107.08(16) . 2 ?
O2A W1 O2 107.3(3) . 2 ?
O2A W1 O2 137.5(3) 3 2 ?
O2A W1 O2 23.9(3) 4 2 ?
O2A W1 O2 61.7(3) 2 2 ?
O2 W1 O2 145.8(3) . 2 ?
O1 W1 O2 107.08(16) . 3 ?
O2A W1 O2 137.5(3) . 3 ?
O2A W1 O2 61.7(3) 3 3 ?
O2A W1 O2 107.3(3) 4 3 ?
O2A W1 O2 23.9(3) 2 3 ?
O2 W1 O2 85.05(9) . 3 ?
O2 W1 O2 85.05(9) 2 3 ?
O1 W1 O2 107.08(16) . 4 ?
O2 W1 O2 85.05(9) . 4 ?
O2 W1 O2 85.05(9) 2 4 ?
O2 W1 O2 145.8(3) 3 4 ?
C1 O2 W1 132.5(6) . . ?
O2 C1 C2 122.6(8) . . ?
O2 C1 C6 117.2(7) . . ?
C2 C1 C6 120.1(9) . . ?
C3 C2 C1 118.2(10) . . ?
C3 C2 C7 121.8(13) . . ?
C1 C2 C7 119.4(14) . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C3 C2 121.6(12) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C5 C4 C3 119.9(13) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 C6 120.7(10) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C5 C6 C1 119.5(9) . . ?
C5 C6 C8 120.6(8) . . ?
C1 C6 C8 119.9(8) . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C1A O2A W1 132.8(8) . . ?
O2A C1A C2A 120.1(11) . . ?
O2A C1A C6A 118.4(9) . . ?
C2A C1A C6A 121.4(12) . . ?
C3A C2A C1A 117.9(14) . . ?
C3A C2A C7A 123.0(17) . . ?
C1A C2A C7A 118.4(18) . . ?
C2A C7A H7A1 109.5 . . ?
C2A C7A H7A2 109.5 . . ?
H7A1 C7A H7A2 109.5 . . ?
C2A C7A H7A3 109.5 . . ?
H7A1 C7A H7A3 109.5 . . ?
H7A2 C7A H7A3 109.5 . . ?
C4A C3A C2A 120.6(15) . . ?
C4A C3A H3A 119.7 . . ?
C2A C3A H3A 119.7 . . ?
C3A C4A C5A 121.8(16) . . ?
C3A C4A H4A 119.1 . . ?
C5A C4A H4A 119.1 . . ?
C4A C5A C6A 119.5(13) . . ?
C4A C5A H5A 120.3 . . ?
C6A C5A H5A 120.3 . . ?
C5A C6A C1A 118.7(10) . . ?
C5A C6A C8A 121.6(11) . . ?
C1A C6A C8A 119.3(10) . . ?
C6A C8A H8A1 109.5 . . ?
C6A C8A H8A2 109.5 . . ?
H8A1 C8A H8A2 109.5 . . ?
C6A C8A H8A3 109.5 . . ?
H8A1 C8A H8A3 109.5 . . ?
H8A2 C8A H8A3 109.5 . . ?
O1 Na1 O3 108.73(13) . 2 ?
O1 Na1 O3 108.73(13) . 4 ?
O3 Na1 O3 84.08(8) 2 4 ?
O1 Na1 O3 108.73(13) . 3 ?
O3 Na1 O3 84.08(8) 2 3 ?
O3 Na1 O3 142.5(3) 4 3 ?
O1 Na1 O3 108.73(13) . . ?
O3 Na1 O3 142.5(3) 2 . ?
O3 Na1 O3 84.08(8) 4 . ?
O3 Na1 O3 84.08(8) 3 . ?
C12 O3 C9 109.5(5) . . ?
C12 O3 Na1 124.7(4) . . ?
C9 O3 Na1 123.8(4) . . ?
O3 C9 C10 104.8(5) . . ?
O3 C9 H9A 110.8 . . ?
C10 C9 H9A 110.8 . . ?
O3 C9 H9B 110.8 . . ?
C10 C9 H9B 110.8 . . ?
H9A C9 H9B 108.9 . . ?
C11 C10 C9 102.1(6) . . ?
C11 C10 H10A 111.3 . . ?
C9 C10 H10A 111.3 . . ?
C11 C10 H10B 111.3 . . ?
C9 C10 H10B 111.3 . . ?
H10A C10 H10B 109.2 . . ?
C10 C11 C12 102.7(6) . . ?
C10 C11 H11A 111.2 . . ?
C12 C11 H11A 111.2 . . ?
C10 C11 H11B 111.2 . . ?
C12 C11 H11B 111.2 . . ?
H11A C11 H11B 109.1 . . ?
O3 C12 C11 105.5(5) . . ?
O3 C12 H12A 110.6 . . ?
C11 C12 H12A 110.6 . . ?
O3 C12 H12B 110.6 . . ?
C11 C12 H12B 110.6 . . ?
H12A C12 H12B 108.8 . . ?

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
W1 O2 C1 C2 71.1(16) . . . . ?
W1 O2 C1 C6 -112.6(8) . . . . ?
O2 C1 C2 C3 176.1(15) . . . . ?
C6 C1 C2 C3 0(3) . . . . ?
O2 C1 C2 C7 5(3) . . . . ?
C6 C1 C2 C7 -171.2(19) . . . . ?
C1 C2 C3 C4 3(3) . . . . ?
C7 C2 C3 C4 174(2) . . . . ?
C2 C3 C4 C5 -4(3) . . . . ?
C3 C4 C5 C6 1(3) . . . . ?
C4 C5 C6 C1 2(2) . . . . ?
C4 C5 C6 C8 -177.8(16) . . . . ?
O2 C1 C6 C5 -178.6(9) . . . . ?
C2 C1 C6 C5 -2.2(18) . . . . ?
O2 C1 C6 C8 0.9(13) . . . . ?
C2 C1 C6 C8 177.4(14) . . . . ?
W1 O2A C1A C2A -72(2) . . . . ?
W1 O2A C1A C6A 111.4(12) . . . . ?
O2A C1A C2A C3A -174(2) . . . . ?
C6A C1A C2A C3A 3(4) . . . . ?
O2A C1A C2A C7A -3(4) . . . . ?
C6A C1A C2A C7A 173(3) . . . . ?
C1A C2A C3A C4A -3(5) . . . . ?
C7A C2A C3A C4A -173(4) . . . . ?
C2A C3A C4A C5A 2(5) . . . . ?
C3A C4A C5A C6A -1(4) . . . . ?
C4A C5A C6A C1A 0(3) . . . . ?
C4A C5A C6A C8A 173(2) . . . . ?
O2A C1A C6A C5A 175.3(12) . . . . ?
C2A C1A C6A C5A -1(3) . . . . ?
O2A C1A C6A C8A 2.1(19) . . . . ?
C2A C1A C6A C8A -175(2) . . . . ?
C12 O3 C9 C10 20.8(7) . . . . ?
Na1 O3 C9 C10 -174.6(4) . . . . ?
O3 C9 C10 C11 -36.6(7) . . . . ?
C9 C10 C11 C12 37.6(8) . . . . ?
C9 O3 C12 C11 3.1(8) . . . . ?
Na1 O3 C12 C11 -161.2(5) . . . . ?
C10 C11 C12 O3 -25.9(8) . . . . ?

_refine_diff_density_max         2.423
_refine_diff_density_min         -2.045
_refine_diff_density_rms         0.118


_exptl_crystal_recrystallization_method 'Vapour deposition'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
