# Supplementary Information (SI) for Journal of Materials Chemistry A.
# 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_1a
_database_code_depnum_ccdc_archive 'CCDC 2455377'
loop_
_audit_author_name
_audit_author_address
'Abhishek Banerjee'
;Visvesvaraya National Institute of Technology
India
;
_audit_update_record             
;
2025-06-02 deposited with the CCDC.	2025-12-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C66 H135 N5 Na8 O70 P8 V8'
_chemical_formula_weight         2957.98

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
V V 0.2866 1.7328 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2596 0.3354 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0148 0.0070 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 '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 0.1104 0.0938 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           90
_space_group_name_H-M_alt        'P 4 21 2'
_space_group_name_Hall           'P 4ab 2ab'

_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, -y, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
'-y, -x, -z'
'y, x, -z'
'y+1/2, -x+1/2, z'
'-y+1/2, x+1/2, z'

_cell_length_a                   26.1876(4)
_cell_length_b                   26.1876(4)
_cell_length_c                   20.1266(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     13802.6(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    59535
_cell_measurement_theta_min      2.82
_cell_measurement_theta_max      64.50

_exptl_crystal_description       block
_exptl_crystal_colour            'deep blue'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.423
_exptl_crystal_F_000             6072
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.183
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    4.137
_shelx_estimated_absorpt_T_min   0.492
_shelx_estimated_absorpt_T_max   0.576
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.492
_exptl_absorpt_correction_T_max  0.576
_exptl_absorpt_process_details   
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     1.34143
_diffrn_radiation_type           GaK\a
_diffrn_source                   'Metal Jet D2+'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            71831
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.821
_diffrn_reflns_theta_max         62.495
_diffrn_reflns_theta_full        53.597
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             16594
_reflns_number_gt                13454
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.809
_reflns_Friedel_fraction_max     0.984
_reflns_Friedel_fraction_full    0.984

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       APEX-5
_computing_cell_refinement       APEX-5
_computing_data_reduction        APEX-5
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    Mercury
_computing_publication_material  enCIFer
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1587P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 5155 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.027(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         16594
_refine_ls_number_parameters     700
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0782
_refine_ls_R_factor_gt           0.0661
_refine_ls_wR_factor_ref         0.2044
_refine_ls_wR_factor_gt          0.1957
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.001
_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
V1 V 0.65207(4) 0.30307(4) 0.37059(5) 0.0295(2) Uani 1 1 d . . . . .
V2 V 0.72836(4) 0.21566(4) 0.33523(5) 0.0327(2) Uani 1 1 d . . . . .
V3 V 0.74904(4) 0.33154(4) 0.26391(6) 0.0326(2) Uani 1 1 d . . . . .
V4 V 0.65635(4) 0.26331(4) 0.21031(5) 0.0281(2) Uani 1 1 d . . . . .
P1 P 0.70246(7) 0.41624(6) 0.36071(9) 0.0351(4) Uani 1 1 d . . . . .
P2 P 0.84148(7) 0.25807(8) 0.30213(9) 0.0406(4) Uani 1 1 d . . . . .
P3 P 0.55040(6) 0.29300(6) 0.28223(9) 0.0317(3) Uani 1 1 d . . . . .
P4 P 0.68502(7) 0.14344(6) 0.21580(9) 0.0350(4) Uani 1 1 d . . . . .
C1 C 0.6663(3) 0.4509(2) 0.3001(4) 0.0357(14) Uani 1 1 d . . . . .
C2 C 0.6149(3) 0.4404(3) 0.2872(4) 0.0419(15) Uani 1 1 d . . . . .
H2 H 0.599321 0.412805 0.308078 0.050 Uiso 1 1 calc R U . . .
C3 C 0.5865(3) 0.4705(3) 0.2440(4) 0.0423(16) Uani 1 1 d . . . . .
H3 H 0.552425 0.462891 0.235521 0.051 Uiso 1 1 calc R U . . .
C4 C 0.6095(3) 0.5118(3) 0.2136(3) 0.0397(15) Uani 1 1 d . . . . .
C5 C 0.6598(3) 0.5219(3) 0.2232(5) 0.054(2) Uani 1 1 d . . . . .
H5 H 0.675438 0.548710 0.200594 0.065 Uiso 1 1 calc R U . . .
C6 C 0.6880(3) 0.4917(3) 0.2673(4) 0.0510(19) Uani 1 1 d . . . . .
H6 H 0.722200 0.499405 0.274630 0.061 Uiso 1 1 calc R U . . .
C7 C 0.8569(3) 0.2398(3) 0.2181(4) 0.0421(15) Uani 1 1 d . . . . .
C8 C 0.8810(4) 0.2737(3) 0.1772(4) 0.060(2) Uani 1 1 d . . . . .
H8 H 0.887659 0.306576 0.192531 0.071 Uiso 1 1 calc R U . . .
C9 C 0.8957(5) 0.2603(4) 0.1134(4) 0.065(3) Uani 1 1 d . . . . .
H9 H 0.912049 0.283929 0.086289 0.078 Uiso 1 1 calc R U . . .
C10 C 0.8862(3) 0.2120(3) 0.0906(3) 0.0471(18) Uani 1 1 d . . . . .
C11 C 0.8608(3) 0.1774(3) 0.1305(4) 0.0436(16) Uani 1 1 d . . . . .
H11 H 0.853302 0.144879 0.114762 0.052 Uiso 1 1 calc R U . . .
C12 C 0.8469(3) 0.1917(3) 0.1935(4) 0.0426(15) Uani 1 1 d . . . . .
H12 H 0.830257 0.168153 0.220549 0.051 Uiso 1 1 calc R U . . .
C13 C 0.7753(3) 0.1099(3) 0.0258(3) 0.0401(15) Uani 1 1 d . . . . .
C14 C 0.7782(3) 0.0752(3) 0.0795(3) 0.0403(15) Uani 1 1 d . . . . .
H14 H 0.797492 0.045475 0.076170 0.048 Uiso 1 1 calc R U . . .
C15 C 0.7514(3) 0.0864(3) 0.1377(4) 0.0379(14) Uani 1 1 d . . . . .
H15 H 0.752686 0.064027 0.173511 0.045 Uiso 1 1 calc R U . . .
C16 C 0.7226(3) 0.1311(2) 0.1422(3) 0.0340(13) Uani 1 1 d . . . . .
C17 C 0.7217(3) 0.1644(3) 0.0889(3) 0.0395(15) Uani 1 1 d . . . . .
H17 H 0.702796 0.194332 0.092324 0.047 Uiso 1 1 calc R U . . .
C18 C 0.7478(3) 0.1545(3) 0.0311(4) 0.0441(16) Uani 1 1 d . . . . .
H18 H 0.746996 0.177669 -0.003939 0.053 Uiso 1 1 calc R U . . .
C19 C 0.5114(2) 0.3431(3) 0.2478(3) 0.0332(13) Uani 1 1 d . . . . .
C20 C 0.5124(3) 0.3561(3) 0.1815(3) 0.0376(14) Uani 1 1 d . . . . .
H20 H 0.534163 0.338952 0.152646 0.045 Uiso 1 1 calc R U . . .
C21 C 0.4808(3) 0.3948(3) 0.1575(4) 0.0404(15) Uani 1 1 d . . . . .
H21 H 0.481366 0.403187 0.112648 0.048 Uiso 1 1 calc R U . . .
C22 C 0.4492(3) 0.4204(3) 0.1999(4) 0.0396(15) Uani 1 1 d . . . . .
C23 C 0.4470(3) 0.4079(3) 0.2661(4) 0.0497(19) Uani 1 1 d . . . . .
H23 H 0.425261 0.425365 0.294687 0.060 Uiso 1 1 calc R U . . .
C24 C 0.4778(3) 0.3690(3) 0.2895(4) 0.0499(19) Uani 1 1 d . . . . .
H24 H 0.476067 0.359955 0.334127 0.060 Uiso 1 1 calc R U . . .
C2C C 0.5624(3) 0.1905(3) 0.1118(4) 0.0454(17) Uani 1 1 d . . . . .
H2C1 H 0.536747 0.190638 0.145900 0.068 Uiso 1 1 calc R U . . .
H2C2 H 0.595279 0.184745 0.131471 0.068 Uiso 1 1 calc R U . . .
H2C3 H 0.562363 0.222835 0.089322 0.068 Uiso 1 1 calc R U . . .
C3C C 0.5503(5) 0.0981(5) 0.1001(7) 0.086(4) Uani 1 1 d . . . . .
H3C1 H 0.523385 0.099000 0.132466 0.128 Uiso 1 1 calc R U . . .
H3C2 H 0.544785 0.070056 0.070230 0.128 Uiso 1 1 calc R U . . .
H3C3 H 0.582501 0.093784 0.122244 0.128 Uiso 1 1 calc R U . . .
C4C C 0.4973(5) 0.1600(4) 0.0352(6) 0.078(3) Uani 1 1 d . . . . .
H4C1 H 0.473166 0.158173 0.071034 0.117 Uiso 1 1 calc R U . . .
H4C2 H 0.497214 0.193827 0.016851 0.117 Uiso 1 1 calc R U . . .
H4C3 H 0.488117 0.135859 0.001424 0.117 Uiso 1 1 calc R U . . .
N1C N 0.5906(5) 0.1491(6) 0.0112(7) 0.120(5) Uani 1 1 d . . . . .
H1C1 H 0.589268 0.178882 -0.010106 0.180 Uiso 1 1 calc R U . . .
H1C2 H 0.620940 0.145778 0.030647 0.180 Uiso 1 1 calc R U . . .
H1C3 H 0.585974 0.123780 -0.017574 0.180 Uiso 1 1 calc R U . . .
C5C C 0.572(2) 0.3839(9) 0.4762(15) 0.52(5) Uani 1 1 d . . . . .
N2C N 0.5324(10) 0.4341(13) 0.5575(11) 0.38(3) Uani 1 1 d . . . . .
H2C4 H 0.500387 0.437070 0.543315 0.576 Uiso 1 1 calc R U . . .
H2C5 H 0.535694 0.405328 0.580709 0.576 Uiso 1 1 calc R U . . .
H2C6 H 0.540210 0.460609 0.583209 0.576 Uiso 1 1 calc R U . . .
C1D C 0.6328(9) 0.4818(7) 0.0382(9) 0.148(9) Uani 1 1 d . . . . .
H1D1 H 0.607280 0.483204 0.072440 0.222 Uiso 1 1 calc R U . . .
H1D2 H 0.655085 0.510760 0.042231 0.222 Uiso 1 1 calc R U . . .
H1D3 H 0.616490 0.482419 -0.004517 0.222 Uiso 1 1 calc R U . . .
C2D C 0.6510(7) 0.4009(5) 0.1022(7) 0.104(5) Uani 1 1 d . . . . .
H2D1 H 0.622283 0.416869 0.123499 0.156 Uiso 1 1 calc R U . . .
H2D2 H 0.641780 0.367045 0.088560 0.156 Uiso 1 1 calc R U . . .
H2D3 H 0.679051 0.399266 0.132805 0.156 Uiso 1 1 calc R U . . .
C3D C 0.6989(5) 0.4254(6) 0.0038(8) 0.094(4) Uani 1 1 d . . . . .
H3D H 0.714750 0.393791 0.007500 0.113 Uiso 1 1 calc R U . . .
O1 O 0.5813(2) 0.5424(2) 0.1714(3) 0.0481(13) Uani 1 1 d . . . . .
O2 O 0.9030(3) 0.1959(2) 0.0290(3) 0.0558(16) Uani 1 1 d . . . . .
O1V1 O 0.63934(19) 0.28357(18) 0.4440(2) 0.0388(10) Uani 1 1 d . . . . .
O1V2 O 0.7218(2) 0.1866(2) 0.4041(2) 0.0449(12) Uani 1 1 d . . . . .
O1V3 O 0.7623(2) 0.3576(2) 0.1944(3) 0.0487(13) Uani 1 1 d . . . . .
O1V4 O 0.66095(19) 0.28022(19) 0.1346(2) 0.0382(10) Uani 1 1 d . . . . .
O123 O 0.72649(17) 0.28966(17) 0.3611(2) 0.0324(9) Uani 1 1 d . . . . .
O124 O 0.65517(17) 0.23772(16) 0.3178(2) 0.0302(9) Uani 1 1 d . . . . .
O134 O 0.67146(17) 0.32831(17) 0.2616(2) 0.0317(9) Uani 1 1 d . . . . .
O234 O 0.73281(17) 0.25882(17) 0.2349(2) 0.0318(9) Uani 1 1 d . . . . .
O1P1 O 0.66518(18) 0.37670(16) 0.3891(2) 0.0333(9) Uani 1 1 d . . . . .
O1P2 O 0.81732(18) 0.3116(2) 0.2977(2) 0.0415(11) Uani 1 1 d . . . . .
O1P3 O 0.58250(16) 0.27138(17) 0.2251(2) 0.0333(9) Uani 1 1 d . . . . .
O1P4 O 0.6544(2) 0.0965(2) 0.2324(3) 0.0500(13) Uani 1 1 d . . . . .
O2P1 O 0.74793(19) 0.39067(18) 0.3261(3) 0.0392(10) Uani 1 1 d . . . . .
O2P2 O 0.80415(19) 0.2181(2) 0.3290(2) 0.0433(12) Uani 1 1 d . . . . .
O2P3 O 0.58331(17) 0.31835(18) 0.3362(2) 0.0348(10) Uani 1 1 d . . . . .
O2P4 O 0.7226(2) 0.15713(19) 0.2720(2) 0.0415(11) Uani 1 1 d . . . . .
O3P1 O 0.7198(2) 0.4537(2) 0.4133(3) 0.0494(13) Uani 1 1 d . . . . .
O3P2 O 0.8900(2) 0.2602(3) 0.3422(3) 0.0536(15) Uani 1 1 d . . . . .
O3P3 O 0.5169(2) 0.2522(2) 0.3127(3) 0.0507(13) Uani 1 1 d . . . . .
O3P4 O 0.65016(19) 0.18814(17) 0.1968(2) 0.0356(10) Uani 1 1 d . . . . .
O1D O 0.7170(3) 0.4494(3) -0.0404(3) 0.0712(19) Uani 1 1 d . . . . .
N1D N 0.6655(6) 0.4300(5) 0.0457(5) 0.101(4) Uani 1 1 d . . . . .
C1C C 0.5507(4) 0.1475(4) 0.0614(6) 0.071(3) Uani 1 1 d . . . . .
C6C C 0.5672(3) 0.4328(3) 0.500000 0.058(3) Uani 1 2 d S T P . .
O1W O 0.5020(2) 0.1744(2) 0.2256(3) 0.0611(16) Uani 1 1 d . . . . .
O2W O 0.9415(3) 0.1903(3) 0.4170(4) 0.075(2) Uani 1 1 d . . . . .
O3W O 0.5812(3) 0.1766(3) 0.3718(5) 0.083(2) Uani 1 1 d . . . . .
O4W O 0.6755(4) 0.2149(3) 0.5393(3) 0.078(2) Uani 1 1 d . . . . .
O5W O 0.7563(7) 0.3047(7) 0.0614(8) 0.167(6) Uiso 1 1 d . . . . .
O6W O 0.9228(6) 0.2502(6) 0.6381(7) 0.139(4) Uiso 1 1 d . . . . .
O7W O 1.0116(6) 0.2047(5) 0.5416(6) 0.134(4) Uiso 1 1 d . . . . .
O8W O 0.5462(6) 0.0130(8) 0.3426(7) 0.170(6) Uiso 1 1 d . . . . .
O9W O 0.6781(13) 0.0951(12) 0.4513(15) 0.281(13) Uiso 1 1 d . . . . .
O10W O 0.8246(11) 0.4679(10) 0.4063(12) 0.258(11) Uiso 1 1 d . . . . .
O11W O 0.8783(10) 0.1445(10) 0.5924(14) 0.256(11) Uiso 1 1 d . . . . .
Na1 Na 0.9167(2) 0.2134(4) 0.5303(3) 0.137(3) Uani 1 1 d . . . . .
Na2 Na 0.7731(5) 0.1645(6) 0.5235(4) 0.208(6) Uani 1 1 d . . . . .
Na3 Na 0.8330(5) 0.3801(5) 0.3875(5) 0.188(4) Uani 1 1 d . . . . .
Na4 Na 0.5599(3) 0.0975(3) 0.2832(4) 0.145(3) 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
V1 O1V1 1.599(5) . ?
V1 O2P3 1.970(5) . ?
V1 O123 1.989(4) . ?
V1 O1P1 1.994(5) . ?
V1 O124 2.016(4) . ?
V1 O134 2.346(4) . ?
V2 O1V2 1.591(5) . ?
V2 O2P2 1.990(5) . ?
V2 O2P4 1.997(5) . ?
V2 O123 2.007(5) . ?
V2 O124 2.032(4) . ?
V2 O234 2.318(4) . ?
V3 O1V3 1.595(5) . ?
V3 O1P2 1.983(5) . ?
V3 O2P1 1.991(5) . ?
V3 O134 2.034(4) . ?
V3 O234 2.037(5) . ?
V3 O123 2.319(5) . ?
V3 Na3 3.555(10) . ?
V4 O1V4 1.591(5) . ?
V4 O1P3 1.968(4) . ?
V4 O3P4 1.994(5) . ?
V4 O134 2.030(5) . ?
V4 O234 2.066(4) . ?
V4 O124 2.265(4) . ?
P1 O3P1 1.513(6) . ?
P1 O1P1 1.534(5) . ?
P1 O2P1 1.534(5) . ?
P1 C1 1.791(7) . ?
P2 O3P2 1.507(5) . ?
P2 O2P2 1.530(6) . ?
P2 O1P2 1.541(5) . ?
P2 C7 1.804(8) . ?
P3 O3P3 1.511(5) . ?
P3 O1P3 1.534(5) . ?
P3 O2P3 1.538(5) . ?
P3 C19 1.801(7) . ?
P4 O1P4 1.505(6) . ?
P4 O3P4 1.533(5) . ?
P4 O2P4 1.542(5) . ?
P4 C16 1.808(7) . ?
C1 C6 1.381(10) . ?
C1 C2 1.399(10) . ?
C2 C3 1.389(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.381(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.357(12) . ?
C4 O1 1.383(8) . ?
C5 C6 1.399(11) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.365(11) . ?
C7 C12 1.378(11) . ?
C8 C9 1.387(12) . ?
C8 H8 0.9300 . ?
C9 C10 1.367(13) . ?
C9 H9 0.9300 . ?
C10 C11 1.381(12) . ?
C10 O2 1.383(9) . ?
C11 C12 1.373(10) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C18 1.377(10) . ?
C13 O2 1.378(8) 5_665 ?
C13 C14 1.415(10) . ?
C14 C15 1.396(10) . ?
C14 H14 0.9300 . ?
C15 C16 1.395(9) . ?
C15 H15 0.9300 . ?
C16 C17 1.380(9) . ?
C17 C18 1.376(10) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.377(10) . ?
C19 C24 1.392(9) . ?
C20 C21 1.394(10) . ?
C20 H20 0.9300 . ?
C21 C22 1.365(10) . ?
C21 H21 0.9300 . ?
C22 C23 1.373(11) . ?
C22 O1 1.382(8) 2_665 ?
C23 C24 1.382(11) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C2C C1C 1.545(13) . ?
C2C H2C1 0.9600 . ?
C2C H2C2 0.9600 . ?
C2C H2C3 0.9600 . ?
C3C C1C 1.510(18) . ?
C3C H3C1 0.9600 . ?
C3C H3C2 0.9600 . ?
C3C H3C3 0.9600 . ?
C4C C1C 1.530(15) . ?
C4C H4C1 0.9600 . ?
C4C H4C2 0.9600 . ?
C4C H4C3 0.9600 . ?
N1C C1C 1.454(17) . ?
N1C H1C1 0.8900 . ?
N1C H1C2 0.8900 . ?
N1C H1C3 0.8900 . ?
C5C C6C 1.37(2) . ?
C5C C5C 1.90(9) 5_666 ?
N2C C6C 1.473(16) . ?
N2C H2C4 0.8900 . ?
N2C H2C5 0.8900 . ?
N2C H2C6 0.8900 . ?
C1D N1D 1.61(2) . ?
C1D H1D1 0.9600 . ?
C1D H1D2 0.9600 . ?
C1D H1D3 0.9600 . ?
C2D N1D 1.420(14) . ?
C2D H2D1 0.9600 . ?
C2D H2D2 0.9600 . ?
C2D H2D3 0.9600 . ?
C3D O1D 1.188(16) . ?
C3D N1D 1.222(17) . ?
C3D H3D 0.9300 . ?
O1V2 Na2 2.812(10) . ?
O1P2 Na3 2.579(12) . ?
O1P4 Na4 2.678(10) . ?
O2P1 Na3 2.563(11) . ?
O1W Na4 2.775(11) . ?
O2W Na1 2.446(10) . ?
O3W Na4 2.790(13) . ?
O4W Na3 2.423(16) 5_666 ?
O4W Na2 2.892(14) . ?
O6W Na1 2.381(16) . ?
O7W Na1 2.505(16) . ?
O8W O8W 1.78(2) 8_545 ?
O8W O8W 1.78(2) 7 ?
O8W Na4 2.54(2) . ?
O8W Na4 2.62(2) 7 ?
O9W Na1 2.88(3) 5_666 ?
O10W Na3 2.34(3) . ?
O11W Na1 2.41(3) . ?
Na1 Na2 2.414(15) 5_666 ?
Na1 Na2 3.975(16) . ?
Na2 Na2 2.50(3) 5_666 ?

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
O1V1 V1 O2P3 101.5(2) . . ?
O1V1 V1 O123 103.7(2) . . ?
O2P3 V1 O123 153.85(19) . . ?
O1V1 V1 O1P1 99.9(2) . . ?
O2P3 V1 O1P1 91.5(2) . . ?
O123 V1 O1P1 91.14(19) . . ?
O1V1 V1 O124 103.0(2) . . ?
O2P3 V1 O124 91.39(19) . . ?
O123 V1 O124 76.12(19) . . ?
O1P1 V1 O124 155.87(19) . . ?
O1V1 V1 O134 177.7(2) . . ?
O2P3 V1 O134 79.19(18) . . ?
O123 V1 O134 75.41(17) . . ?
O1P1 V1 O134 82.25(18) . . ?
O124 V1 O134 74.80(17) . . ?
O1V2 V2 O2P2 100.2(3) . . ?
O1V2 V2 O2P4 100.4(2) . . ?
O2P2 V2 O2P4 93.4(2) . . ?
O1V2 V2 O123 103.4(2) . . ?
O2P2 V2 O123 90.5(2) . . ?
O2P4 V2 O123 154.72(19) . . ?
O1V2 V2 O124 100.7(2) . . ?
O2P2 V2 O124 157.0(2) . . ?
O2P4 V2 O124 92.1(2) . . ?
O123 V2 O124 75.37(18) . . ?
O1V2 V2 O234 176.7(2) . . ?
O2P2 V2 O234 83.03(18) . . ?
O2P4 V2 O234 79.81(19) . . ?
O123 V2 O234 75.91(17) . . ?
O124 V2 O234 76.01(16) . . ?
O1V3 V3 O1P2 102.5(3) . . ?
O1V3 V3 O2P1 102.8(3) . . ?
O1P2 V3 O2P1 90.1(2) . . ?
O1V3 V3 O134 102.4(2) . . ?
O1P2 V3 O134 153.8(2) . . ?
O2P1 V3 O134 91.84(19) . . ?
O1V3 V3 O234 101.1(3) . . ?
O1P2 V3 O234 92.3(2) . . ?
O2P1 V3 O234 154.75(19) . . ?
O134 V3 O234 75.30(18) . . ?
O1V3 V3 O123 176.1(3) . . ?
O1P2 V3 O123 79.39(19) . . ?
O2P1 V3 O123 80.45(19) . . ?
O134 V3 O123 75.24(17) . . ?
O234 V3 O123 75.34(16) . . ?
O1V3 V3 Na3 109.0(3) . . ?
O1P2 V3 Na3 45.3(2) . . ?
O2P1 V3 Na3 44.9(2) . . ?
O134 V3 Na3 130.4(2) . . ?
O234 V3 Na3 131.6(2) . . ?
O123 V3 Na3 74.7(2) . . ?
O1V4 V4 O1P3 100.9(2) . . ?
O1V4 V4 O3P4 98.6(2) . . ?
O1P3 V4 O3P4 92.67(19) . . ?
O1V4 V4 O134 103.8(2) . . ?
O1P3 V4 O134 91.43(18) . . ?
O3P4 V4 O134 155.97(19) . . ?
O1V4 V4 O234 99.9(2) . . ?
O1P3 V4 O234 157.30(18) . . ?
O3P4 V4 O234 93.17(19) . . ?
O134 V4 O234 74.76(18) . . ?
O1V4 V4 O124 176.3(2) . . ?
O1P3 V4 O124 82.78(18) . . ?
O3P4 V4 O124 80.64(17) . . ?
O134 V4 O124 76.41(17) . . ?
O234 V4 O124 76.57(16) . . ?
O3P1 P1 O1P1 111.6(3) . . ?
O3P1 P1 O2P1 111.6(3) . . ?
O1P1 P1 O2P1 111.6(3) . . ?
O3P1 P1 C1 107.9(3) . . ?
O1P1 P1 C1 105.0(3) . . ?
O2P1 P1 C1 108.8(3) . . ?
O3P2 P2 O2P2 112.1(3) . . ?
O3P2 P2 O1P2 110.1(3) . . ?
O2P2 P2 O1P2 112.3(3) . . ?
O3P2 P2 C7 108.9(3) . . ?
O2P2 P2 C7 107.0(3) . . ?
O1P2 P2 C7 106.2(3) . . ?
O3P3 P3 O1P3 111.1(3) . . ?
O3P3 P3 O2P3 110.1(3) . . ?
O1P3 P3 O2P3 112.5(3) . . ?
O3P3 P3 C19 110.0(3) . . ?
O1P3 P3 C19 106.9(3) . . ?
O2P3 P3 C19 106.0(3) . . ?
O1P4 P4 O3P4 111.2(3) . . ?
O1P4 P4 O2P4 111.5(3) . . ?
O3P4 P4 O2P4 112.7(3) . . ?
O1P4 P4 C16 109.0(3) . . ?
O3P4 P4 C16 104.8(3) . . ?
O2P4 P4 C16 107.2(3) . . ?
C6 C1 C2 117.3(7) . . ?
C6 C1 P1 120.1(6) . . ?
C2 C1 P1 122.5(5) . . ?
C3 C2 C1 121.3(7) . . ?
C3 C2 H2 119.3 . . ?
C1 C2 H2 119.3 . . ?
C4 C3 C2 119.2(7) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C5 C4 C3 121.0(7) . . ?
C5 C4 O1 119.5(7) . . ?
C3 C4 O1 119.5(7) . . ?
C4 C5 C6 119.4(7) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C1 C6 C5 121.7(8) . . ?
C1 C6 H6 119.2 . . ?
C5 C6 H6 119.2 . . ?
C8 C7 C12 117.9(7) . . ?
C8 C7 P2 119.7(7) . . ?
C12 C7 P2 122.4(6) . . ?
C7 C8 C9 121.4(9) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 H8 119.3 . . ?
C10 C9 C8 119.7(9) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C9 C10 C11 120.0(7) . . ?
C9 C10 O2 121.8(8) . . ?
C11 C10 O2 118.2(8) . . ?
C12 C11 C10 119.1(7) . . ?
C12 C11 H11 120.4 . . ?
C10 C11 H11 120.4 . . ?
C11 C12 C7 122.0(8) . . ?
C11 C12 H12 119.0 . . ?
C7 C12 H12 119.0 . . ?
C18 C13 O2 123.7(7) . 5_665 ?
C18 C13 C14 121.0(6) . . ?
O2 C13 C14 115.2(6) 5_665 . ?
C15 C14 C13 118.6(6) . . ?
C15 C14 H14 120.7 . . ?
C13 C14 H14 120.7 . . ?
C16 C15 C14 120.2(7) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C17 C16 C15 119.2(6) . . ?
C17 C16 P4 120.9(5) . . ?
C15 C16 P4 119.8(5) . . ?
C18 C17 C16 122.0(6) . . ?
C18 C17 H17 119.0 . . ?
C16 C17 H17 119.0 . . ?
C17 C18 C13 119.0(7) . . ?
C17 C18 H18 120.5 . . ?
C13 C18 H18 120.5 . . ?
C20 C19 C24 118.4(6) . . ?
C20 C19 P3 122.8(5) . . ?
C24 C19 P3 118.8(5) . . ?
C19 C20 C21 120.3(6) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C22 C21 C20 120.0(7) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 120.9(6) . . ?
C21 C22 O1 115.9(6) . 2_665 ?
C23 C22 O1 123.1(6) . 2_665 ?
C22 C23 C24 118.9(7) . . ?
C22 C23 H23 120.6 . . ?
C24 C23 H23 120.6 . . ?
C23 C24 C19 121.5(7) . . ?
C23 C24 H24 119.3 . . ?
C19 C24 H24 119.3 . . ?
C1C C2C H2C1 109.5 . . ?
C1C C2C H2C2 109.5 . . ?
H2C1 C2C H2C2 109.5 . . ?
C1C C2C H2C3 109.5 . . ?
H2C1 C2C H2C3 109.5 . . ?
H2C2 C2C H2C3 109.5 . . ?
C1C C3C H3C1 109.5 . . ?
C1C C3C H3C2 109.5 . . ?
H3C1 C3C H3C2 109.5 . . ?
C1C C3C H3C3 109.5 . . ?
H3C1 C3C H3C3 109.5 . . ?
H3C2 C3C H3C3 109.5 . . ?
C1C C4C H4C1 109.5 . . ?
C1C C4C H4C2 109.5 . . ?
H4C1 C4C H4C2 109.5 . . ?
C1C C4C H4C3 109.5 . . ?
H4C1 C4C H4C3 109.5 . . ?
H4C2 C4C H4C3 109.5 . . ?
C1C N1C H1C1 109.5 . . ?
C1C N1C H1C2 109.5 . . ?
H1C1 N1C H1C2 109.5 . . ?
C1C N1C H1C3 109.5 . . ?
H1C1 N1C H1C3 109.5 . . ?
H1C2 N1C H1C3 109.5 . . ?
C6C C5C C5C 46(3) . 5_666 ?
C6C N2C H2C4 109.5 . . ?
C6C N2C H2C5 109.5 . . ?
H2C4 N2C H2C5 109.5 . . ?
C6C N2C H2C6 109.5 . . ?
H2C4 N2C H2C6 109.5 . . ?
H2C5 N2C H2C6 109.5 . . ?
N1D C1D H1D1 109.5 . . ?
N1D C1D H1D2 109.5 . . ?
H1D1 C1D H1D2 109.5 . . ?
N1D C1D H1D3 109.5 . . ?
H1D1 C1D H1D3 109.5 . . ?
H1D2 C1D H1D3 109.5 . . ?
N1D C2D H2D1 109.5 . . ?
N1D C2D H2D2 109.5 . . ?
H2D1 C2D H2D2 109.5 . . ?
N1D C2D H2D3 109.5 . . ?
H2D1 C2D H2D3 109.5 . . ?
H2D2 C2D H2D3 109.5 . . ?
O1D C3D N1D 138.7(16) . . ?
O1D C3D H3D 110.6 . . ?
N1D C3D H3D 110.6 . . ?
C22 O1 C4 117.6(5) 2_665 . ?
C13 O2 C10 118.2(5) 5_665 . ?
V2 O1V2 Na2 142.4(5) . . ?
V1 O123 V2 102.7(2) . . ?
V1 O123 V3 104.29(18) . . ?
V2 O123 V3 103.38(19) . . ?
V1 O124 V2 100.9(2) . . ?
V1 O124 V4 104.64(18) . . ?
V2 O124 V4 103.66(18) . . ?
V4 O134 V3 103.95(19) . . ?
V4 O134 V1 101.37(18) . . ?
V3 O134 V1 101.92(18) . . ?
V3 O234 V4 102.57(18) . . ?
V3 O234 V2 102.49(18) . . ?
V4 O234 V2 100.81(18) . . ?
P1 O1P1 V1 133.9(3) . . ?
P2 O1P2 V3 129.0(3) . . ?
P2 O1P2 Na3 121.8(4) . . ?
V3 O1P2 Na3 101.6(3) . . ?
P3 O1P3 V4 133.8(3) . . ?
P4 O1P4 Na4 124.7(3) . . ?
P1 O2P1 V3 129.5(3) . . ?
P1 O2P1 Na3 120.2(4) . . ?
V3 O2P1 Na3 101.9(3) . . ?
P2 O2P2 V2 133.0(3) . . ?
P3 O2P3 V1 132.3(3) . . ?
P4 O2P4 V2 133.9(3) . . ?
P4 O3P4 V4 132.1(3) . . ?
C3D N1D C2D 133.8(15) . . ?
C3D N1D C1D 113.5(12) . . ?
C2D N1D C1D 112.6(12) . . ?
N1C C1C C3C 112.9(11) . . ?
N1C C1C C4C 114.2(11) . . ?
C3C C1C C4C 110.8(10) . . ?
N1C C1C C2C 107.0(9) . . ?
C3C C1C C2C 106.7(9) . . ?
C4C C1C C2C 104.5(8) . . ?
C5C C6C C5C 88(6) 5_666 . ?
C5C C6C N2C 107.8(18) 5_666 . ?
C5C C6C N2C 110.5(18) . . ?
C5C C6C N2C 110.5(18) 5_666 5_666 ?
C5C C6C N2C 107.8(18) . 5_666 ?
N2C C6C N2C 126.0(17) . 5_666 ?
Na3 O4W Na2 111.3(5) 5_666 . ?
O8W O8W O8W 89.998(2) 8_545 7 ?
O8W O8W Na4 72.4(11) 8_545 . ?
O8W O8W Na4 146.0(6) 7 . ?
O8W O8W Na4 143.4(7) 8_545 7 ?
O8W O8W Na4 67.4(10) 7 7 ?
Na4 O8W Na4 110.3(5) . 7 ?
O6W Na1 O11W 81.9(8) . . ?
O6W Na1 Na2 114.1(5) . 5_666 ?
O11W Na1 Na2 88.5(8) . 5_666 ?
O6W Na1 O2W 158.8(5) . . ?
O11W Na1 O2W 114.1(8) . . ?
Na2 Na1 O2W 81.5(3) 5_666 . ?
O6W Na1 O7W 83.6(5) . . ?
O11W Na1 O7W 107.4(8) . . ?
Na2 Na1 O7W 158.2(5) 5_666 . ?
O2W Na1 O7W 78.4(4) . . ?
O6W Na1 O9W 59.4(7) . 5_666 ?
O11W Na1 O9W 128.7(10) . 5_666 ?
Na2 Na1 O9W 79.5(7) 5_666 5_666 ?
O2W Na1 O9W 113.1(7) . 5_666 ?
O7W Na1 O9W 100.6(7) . 5_666 ?
O6W Na1 Na2 103.0(4) . . ?
O11W Na1 Na2 51.9(7) . . ?
Na2 Na1 Na2 36.6(5) 5_666 . ?
O2W Na1 Na2 98.0(3) . . ?
O7W Na1 Na2 155.9(5) . . ?
O9W Na1 Na2 102.7(7) 5_666 . ?
Na1 Na2 Na2 108.1(4) 5_666 5_666 ?
Na1 Na2 O1V2 82.4(4) 5_666 . ?
Na2 Na2 O1V2 81.6(4) 5_666 . ?
Na1 Na2 O4W 125.5(6) 5_666 . ?
Na2 Na2 O4W 108.8(4) 5_666 . ?
O1V2 Na2 O4W 65.1(3) . . ?
Na1 Na2 Na1 99.2(5) 5_666 . ?
Na2 Na2 Na1 35.2(3) 5_666 . ?
O1V2 Na2 Na1 114.5(4) . . ?
O4W Na2 Na1 133.3(5) . . ?
O10W Na3 O4W 116.4(9) . 5_666 ?
O10W Na3 O2P1 83.7(8) . . ?
O4W Na3 O2P1 84.7(4) 5_666 . ?
O10W Na3 O1P2 141.4(8) . . ?
O4W Na3 O1P2 85.7(4) 5_666 . ?
O2P1 Na3 O1P2 66.3(3) . . ?
O10W Na3 V3 114.0(8) . . ?
O4W Na3 V3 83.7(4) 5_666 . ?
O2P1 Na3 V3 33.22(16) . . ?
O1P2 Na3 V3 33.12(16) . . ?
O8W Na4 O8W 40.2(6) . 8_545 ?
O8W Na4 O1P4 107.6(5) . . ?
O8W Na4 O1P4 147.3(5) 8_545 . ?
O8W Na4 O1W 138.7(5) . . ?
O8W Na4 O1W 99.4(5) 8_545 . ?
O1P4 Na4 O1W 110.7(3) . . ?
O8W Na4 O3W 112.0(5) . . ?
O8W Na4 O3W 103.6(4) 8_545 . ?
O1P4 Na4 O3W 93.8(3) . . ?
O1W Na4 O3W 80.6(3) . . ?

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
O3P1 P1 C1 C6 57.3(7) . . . . ?
O1P1 P1 C1 C6 176.5(6) . . . . ?
O2P1 P1 C1 C6 -63.9(7) . . . . ?
O3P1 P1 C1 C2 -118.3(6) . . . . ?
O1P1 P1 C1 C2 0.8(7) . . . . ?
O2P1 P1 C1 C2 120.5(6) . . . . ?
C6 C1 C2 C3 -1.0(11) . . . . ?
P1 C1 C2 C3 174.7(6) . . . . ?
C1 C2 C3 C4 -0.6(12) . . . . ?
C2 C3 C4 C5 3.0(12) . . . . ?
C2 C3 C4 O1 -178.8(7) . . . . ?
C3 C4 C5 C6 -3.5(13) . . . . ?
O1 C4 C5 C6 178.2(7) . . . . ?
C2 C1 C6 C5 0.5(12) . . . . ?
P1 C1 C6 C5 -175.4(7) . . . . ?
C4 C5 C6 C1 1.8(14) . . . . ?
O3P2 P2 C7 C8 -72.1(8) . . . . ?
O2P2 P2 C7 C8 166.6(7) . . . . ?
O1P2 P2 C7 C8 46.4(8) . . . . ?
O3P2 P2 C7 C12 105.4(7) . . . . ?
O2P2 P2 C7 C12 -15.9(7) . . . . ?
O1P2 P2 C7 C12 -136.1(6) . . . . ?
C12 C7 C8 C9 -0.9(14) . . . . ?
P2 C7 C8 C9 176.7(9) . . . . ?
C7 C8 C9 C10 -0.2(17) . . . . ?
C8 C9 C10 C11 1.6(16) . . . . ?
C8 C9 C10 O2 -175.9(9) . . . . ?
C9 C10 C11 C12 -2.0(12) . . . . ?
O2 C10 C11 C12 175.7(7) . . . . ?
C10 C11 C12 C7 0.9(11) . . . . ?
C8 C7 C12 C11 0.5(12) . . . . ?
P2 C7 C12 C11 -177.0(6) . . . . ?
C18 C13 C14 C15 1.7(12) . . . . ?
O2 C13 C14 C15 177.9(7) 5_665 . . . ?
C13 C14 C15 C16 -0.1(11) . . . . ?
C14 C15 C16 C17 -1.1(11) . . . . ?
C14 C15 C16 P4 176.4(6) . . . . ?
O1P4 P4 C16 C17 129.0(6) . . . . ?
O3P4 P4 C16 C17 9.9(7) . . . . ?
O2P4 P4 C16 C17 -110.1(6) . . . . ?
O1P4 P4 C16 C15 -48.4(7) . . . . ?
O3P4 P4 C16 C15 -167.5(6) . . . . ?
O2P4 P4 C16 C15 72.5(6) . . . . ?
C15 C16 C17 C18 0.8(12) . . . . ?
P4 C16 C17 C18 -176.6(6) . . . . ?
C16 C17 C18 C13 0.7(12) . . . . ?
O2 C13 C18 C17 -177.9(8) 5_665 . . . ?
C14 C13 C18 C17 -2.0(12) . . . . ?
O3P3 P3 C19 C20 -119.8(6) . . . . ?
O1P3 P3 C19 C20 1.0(7) . . . . ?
O2P3 P3 C19 C20 121.2(6) . . . . ?
O3P3 P3 C19 C24 58.5(7) . . . . ?
O1P3 P3 C19 C24 179.3(6) . . . . ?
O2P3 P3 C19 C24 -60.5(7) . . . . ?
C24 C19 C20 C21 0.8(11) . . . . ?
P3 C19 C20 C21 179.2(6) . . . . ?
C19 C20 C21 C22 0.7(12) . . . . ?
C20 C21 C22 C23 -1.3(12) . . . . ?
C20 C21 C22 O1 -179.0(7) . . . 2_665 ?
C21 C22 C23 C24 0.3(14) . . . . ?
O1 C22 C23 C24 177.9(8) 2_665 . . . ?
C22 C23 C24 C19 1.2(14) . . . . ?
C20 C19 C24 C23 -1.8(13) . . . . ?
P3 C19 C24 C23 179.7(7) . . . . ?
C5 C4 O1 C22 -100.0(9) . . . 2_665 ?
C3 C4 O1 C22 81.7(9) . . . 2_665 ?
C9 C10 O2 C13 -53.9(12) . . . 5_665 ?
C11 C10 O2 C13 128.5(8) . . . 5_665 ?
O2P2 V2 O1V2 Na2 22.3(6) . . . . ?
O2P4 V2 O1V2 Na2 117.7(6) . . . . ?
O123 V2 O1V2 Na2 -70.8(6) . . . . ?
O124 V2 O1V2 Na2 -148.1(6) . . . . ?
O3P1 P1 O1P1 V1 -145.8(4) . . . . ?
O2P1 P1 O1P1 V1 -20.1(5) . . . . ?
C1 P1 O1P1 V1 97.6(4) . . . . ?
O3P2 P2 O1P2 V3 -169.9(4) . . . . ?
O2P2 P2 O1P2 V3 -44.3(5) . . . . ?
C7 P2 O1P2 V3 72.4(5) . . . . ?
O3P2 P2 O1P2 Na3 -26.2(5) . . . . ?
O2P2 P2 O1P2 Na3 99.5(5) . . . . ?
C7 P2 O1P2 Na3 -143.8(5) . . . . ?
O3P3 P3 O1P3 V4 -117.0(4) . . . . ?
O2P3 P3 O1P3 V4 7.0(5) . . . . ?
C19 P3 O1P3 V4 123.0(4) . . . . ?
O3P4 P4 O1P4 Na4 -29.4(5) . . . . ?
O2P4 P4 O1P4 Na4 97.4(5) . . . . ?
C16 P4 O1P4 Na4 -144.4(4) . . . . ?
O3P1 P1 O2P1 V3 169.6(4) . . . . ?
O1P1 P1 O2P1 V3 43.9(5) . . . . ?
C1 P1 O2P1 V3 -71.5(4) . . . . ?
O3P1 P1 O2P1 Na3 27.4(5) . . . . ?
O1P1 P1 O2P1 Na3 -98.3(4) . . . . ?
C1 P1 O2P1 Na3 146.3(4) . . . . ?
O3P2 P2 O2P2 V2 144.6(4) . . . . ?
O1P2 P2 O2P2 V2 20.1(5) . . . . ?
C7 P2 O2P2 V2 -96.1(5) . . . . ?
O3P3 P3 O2P3 V1 91.0(4) . . . . ?
O1P3 P3 O2P3 V1 -33.5(5) . . . . ?
C19 P3 O2P3 V1 -150.0(4) . . . . ?
O1P4 P4 O2P4 V2 -113.9(4) . . . . ?
O3P4 P4 O2P4 V2 12.0(6) . . . . ?
C16 P4 O2P4 V2 126.9(4) . . . . ?
O1P4 P4 O3P4 V4 146.5(4) . . . . ?
O2P4 P4 O3P4 V4 20.4(5) . . . . ?
C16 P4 O3P4 V4 -95.8(4) . . . . ?
O1D C3D N1D C2D -170.5(18) . . . . ?
O1D C3D N1D C1D 5(3) . . . . ?
C5C C5C C6C N2C -108.1(17) 5_666 . . . ?
C5C C5C C6C N2C 111(2) 5_666 . . 5_666 ?

_refine_diff_density_max         1.519
_refine_diff_density_min         -0.864
_refine_diff_density_rms         0.131




