# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_apx1733

# start Validation Reply Form 
_vrf_PLAT780_apx1733             
; 
PROBLEM: Coordinates do not Form a Properly Connected Set     Please Do ! 
RESPONSE: Isolated water molecules in lattice 
;
_vrf_PLAT043_apx1733             
; 
PROBLEM: Calculated and Reported Mol. Weight Differ by ..      20.14 Check 
RESPONSE: Hydrogen atom positions not included on water molecules 
;
_vrf_PLAT306_apx1733             
; 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O18 Check 
RESPONSE: Hydrogen atom positions not included on water molecules 
;
# end Validation Reply Form 

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H32 N2 Na2 O20 S2 U'
_chemical_formula_weight         920.57

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'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.4220(11)
_cell_length_b                   9.3646(12)
_cell_length_c                   19.946(3)
_cell_angle_alpha                89.043(1)
_cell_angle_beta                 88.581(1)
_cell_angle_gamma                72.240(1)
_cell_volume                     1497.6(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    140(1)
_cell_measurement_reflns_used    9879
_cell_measurement_theta_min      2.49
_cell_measurement_theta_max      28.29

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    2.041
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             896
_exptl_absorpt_coefficient_mu    5.674
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3966
_exptl_absorpt_correction_T_max  0.5039
_exptl_absorpt_process_details   'SADABS v. 2.03 (Sheldrick, 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      140(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker D8 with APEXII CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16975
_diffrn_reflns_av_R_equivalents  0.0139
_diffrn_reflns_av_sigmaI/netI    0.0162
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.04
_diffrn_reflns_theta_max         28.38
_reflns_number_total             6864
_reflns_number_gt                6724
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX II, v. 7.0 (Bruker AXS, 2009)'
_computing_cell_refinement       'SAINT+, v. 7.66a (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT+, v. 7.66a (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL, v. 6.14, (Bruker AXS, 2000)'
_computing_publication_material  'SHELXTL, v. 6.14, (Bruker AXS, 2000)'

_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     
'calc w=1/[σ²(Fo²)+(0.0244P)²+0.0000P] 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         6864
_refine_ls_number_parameters     391
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0170
_refine_ls_R_factor_gt           0.0166
_refine_ls_wR_factor_ref         0.0572
_refine_ls_wR_factor_gt          0.0570
_refine_ls_goodness_of_fit_ref   1.753
_refine_ls_restrained_S_all      1.753
_refine_ls_shift/su_max          0.002
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.744749(10) 0.761256(9) 0.561580(4) 0.00757(4) Uani 1 1 d . . .
Na1 Na 1.0000 1.0000 1.0000 0.0110(3) Uani 1 2 d S . .
Na2 Na 0.89229(13) 0.68375(11) 0.99706(5) 0.0110(2) Uani 1 1 d . . .
Na3 Na 0.5000 0.5000 1.0000 0.0119(3) Uani 1 2 d S . .
S1 S 0.64978(7) 0.99551(7) 0.90981(3) 0.00809(12) Uani 1 1 d . . .
S2 S 0.70429(8) 0.44353(7) 0.22091(3) 0.00930(12) Uani 1 1 d . . .
N1 N 0.8514(3) 0.5740(2) 0.65517(11) 0.0098(4) Uani 1 1 d . . .
N2 N 0.7240(3) 0.4981(2) 0.54030(11) 0.0095(4) Uani 1 1 d . . .
O1 O 0.5633(2) 0.8314(2) 0.61428(10) 0.0120(4) Uani 1 1 d . . .
O2 O 0.9249(2) 0.6958(2) 0.50949(10) 0.0120(4) Uani 1 1 d . . .
O3 O 0.8968(2) 0.8481(2) 0.63430(9) 0.0109(4) Uani 1 1 d . . .
O4 O 0.5671(2) 0.7665(2) 0.47633(9) 0.0117(4) Uani 1 1 d . . .
O5 O 0.4787(2) 1.0890(2) 0.89818(9) 0.0127(4) Uani 1 1 d . . .
O6 O 0.7477(2) 1.0808(2) 0.94074(9) 0.0113(4) Uani 1 1 d . . .
O7 O 0.6585(2) 0.85721(19) 0.94617(9) 0.0109(4) Uani 1 1 d . . .
O8 O 0.8013(2) 0.5230(2) 0.18092(9) 0.0133(4) Uani 1 1 d . . .
O9 O 0.5411(2) 0.4646(2) 0.19152(9) 0.0144(4) Uani 1 1 d . . .
O10 O 0.7957(2) 0.2873(2) 0.23221(9) 0.0135(4) Uani 1 1 d . . .
O11 O 0.7153(2) 1.0059(2) 0.51581(9) 0.0135(4) Uani 1 1 d . . .
O12 O 0.9201(2) 1.2204(2) 1.06887(10) 0.0147(4) Uani 1 1 d . . .
O13 O 0.8637(2) 0.8811(2) 1.07624(10) 0.0131(4) Uani 1 1 d . . .
O14 O 0.9446(2) 0.4898(2) 0.92051(9) 0.0122(4) Uani 1 1 d . . .
O15 O 0.3135(2) 0.6203(2) 1.09430(10) 0.0133(4) Uani 1 1 d . . .
O16 O 0.5785(2) 0.2926(2) 1.07499(10) 0.0138(4) Uani 1 1 d . . .
O17 O 0.3308(2) 0.3780(2) 0.94634(10) 0.0127(4) Uani 1 1 d . . .
O18 O 0.8818(3) 1.0002(3) 0.40392(11) 0.0276(5) Uani 1 1 d . . .
O19 O 0.9063(3) 0.7844(2) 0.20995(10) 0.0186(4) Uani 1 1 d . . .
O20 O 0.7055(3) 0.0449(2) 0.28287(11) 0.0222(5) Uani 1 1 d . . .
C1 C 0.8499(3) 0.8753(3) 0.69752(13) 0.0105(5) Uani 1 1 d . . .
C2 C 0.8379(3) 1.0160(3) 0.72471(13) 0.0125(5) Uani 1 1 d . . .
H2 H 0.8670 1.0873 0.6983 0.015 Uiso 1 1 calc R . .
C3 C 0.7837(3) 1.0494(3) 0.79010(14) 0.0131(5) Uani 1 1 d . . .
H3 H 0.7759 1.1429 0.8075 0.016 Uiso 1 1 calc R . .
C4 C 0.7404(3) 0.9427(3) 0.83019(12) 0.0090(5) Uani 1 1 d . . .
C5 C 0.7594(3) 0.8013(3) 0.80551(13) 0.0096(5) Uani 1 1 d . . .
H5 H 0.7364 0.7290 0.8333 0.012 Uiso 1 1 calc R . .
C6 C 0.8130(3) 0.7658(3) 0.73925(13) 0.0095(5) Uani 1 1 d . . .
C7 C 0.8441(3) 0.6126(3) 0.71660(13) 0.0102(5) Uani 1 1 d . . .
H7 H 0.8597 0.5375 0.7491 0.012 Uiso 1 1 calc R . .
C8 C 0.8970(3) 0.4145(3) 0.63898(13) 0.0110(5) Uani 1 1 d . . .
H8A H 0.9089 0.3549 0.6799 0.013 Uiso 1 1 calc R . .
H8B H 1.0024 0.3842 0.6143 0.013 Uiso 1 1 calc R . .
C9 C 0.7594(3) 0.3899(3) 0.59662(13) 0.0114(5) Uani 1 1 d . . .
H9A H 0.7942 0.2885 0.5795 0.014 Uiso 1 1 calc R . .
H9B H 0.6593 0.4031 0.6240 0.014 Uiso 1 1 calc R . .
C10 C 0.7154(3) 0.4451(3) 0.48171(13) 0.0097(5) Uani 1 1 d . . .
H10 H 0.7350 0.3422 0.4785 0.012 Uiso 1 1 calc R . .
C11 C 0.6030(3) 0.6904(3) 0.41995(13) 0.0100(5) Uani 1 1 d . . .
C12 C 0.5609(3) 0.7672(3) 0.35800(13) 0.0113(5) Uani 1 1 d . . .
H12 H 0.5117 0.8707 0.3575 0.014 Uiso 1 1 calc R . .
C13 C 0.5921(3) 0.6906(3) 0.29880(13) 0.0113(5) Uani 1 1 d . . .
H13 H 0.5638 0.7421 0.2584 0.014 Uiso 1 1 calc R . .
C14 C 0.6667(3) 0.5342(3) 0.29888(13) 0.0100(5) Uani 1 1 d . . .
C15 C 0.7075(3) 0.4561(3) 0.35849(13) 0.0102(5) Uani 1 1 d . . .
H15 H 0.7547 0.3525 0.3581 0.012 Uiso 1 1 calc R . .
C16 C 0.6777(3) 0.5336(3) 0.42026(13) 0.0097(5) 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
U1 O2 1.7703(19) . ?
U1 O1 1.7898(19) . ?
U1 O3 2.2740(18) . ?
U1 O4 2.2829(18) . ?
U1 O11 2.3957(18) . ?
U1 N1 2.526(2) . ?
U1 N2 2.566(2) . ?
Na1 O13 2.3469(19) 2_777 ?
Na1 O13 2.3469(19) . ?
Na1 O6 2.3663(18) . ?
Na1 O6 2.3664(18) 2_777 ?
Na1 O12 2.408(2) 2_777 ?
Na1 O12 2.409(2) . ?
Na1 Na2 3.3533(11) . ?
Na1 Na2 3.3534(11) 2_777 ?
Na2 O14 2.323(2) . ?
Na2 O7 2.375(2) . ?
Na2 O17 2.382(2) 2_667 ?
Na2 O12 2.399(2) 2_777 ?
Na2 O13 2.403(2) . ?
Na2 O14 2.427(2) 2_767 ?
Na2 Na2 3.367(2) 2_767 ?
Na2 Na3 4.1635(11) . ?
Na3 O17 2.3643(19) . ?
Na3 O17 2.3643(19) 2_667 ?
Na3 O16 2.3699(19) . ?
Na3 O16 2.3699(19) 2_667 ?
Na3 O15 2.4739(19) . ?
Na3 O15 2.4739(19) 2_667 ?
Na3 Na2 4.1635(11) 2_667 ?
S1 O7 1.4569(18) . ?
S1 O5 1.4613(18) . ?
S1 O6 1.4633(18) . ?
S1 C4 1.756(2) . ?
S2 O10 1.4470(19) . ?
S2 O9 1.4634(19) . ?
S2 O8 1.4750(19) . ?
S2 C14 1.760(3) . ?
N1 C7 1.278(3) . ?
N1 C8 1.464(3) . ?
N2 C10 1.289(3) . ?
N2 C9 1.474(3) . ?
O3 C1 1.318(3) . ?
O4 C11 1.320(3) . ?
O12 Na2 2.399(2) 2_777 ?
O14 Na2 2.427(2) 2_767 ?
O17 Na2 2.382(2) 2_667 ?
C1 C2 1.407(4) . ?
C1 C6 1.412(3) . ?
C2 C3 1.380(4) . ?
C3 C4 1.397(3) . ?
C4 C5 1.382(3) . ?
C5 C6 1.398(3) . ?
C6 C7 1.456(3) . ?
C8 C9 1.526(4) . ?
C10 C16 1.454(3) . ?
C11 C16 1.410(4) . ?
C11 C12 1.417(4) . ?
C12 C13 1.370(4) . ?
C13 C14 1.406(4) . ?
C14 C15 1.380(4) . ?
C15 C16 1.418(3) . ?

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 U1 O1 178.74(7) . . ?
O2 U1 O3 89.05(8) . . ?
O1 U1 O3 90.16(8) . . ?
O2 U1 O4 93.40(8) . . ?
O1 U1 O4 86.97(8) . . ?
O3 U1 O4 158.33(7) . . ?
O2 U1 O11 87.09(8) . . ?
O1 U1 O11 91.79(8) . . ?
O3 U1 O11 78.78(6) . . ?
O4 U1 O11 79.84(6) . . ?
O2 U1 N1 95.42(8) . . ?
O1 U1 N1 85.22(8) . . ?
O3 U1 N1 69.15(7) . . ?
O4 U1 N1 131.84(7) . . ?
O11 U1 N1 147.76(7) . . ?
O2 U1 N2 82.22(8) . . ?
O1 U1 N2 99.04(8) . . ?
O3 U1 N2 132.39(7) . . ?
O4 U1 N2 69.22(7) . . ?
O11 U1 N2 146.45(7) . . ?
N1 U1 N2 65.30(7) . . ?
O13 Na1 O13 180.00(7) 2_777 . ?
O13 Na1 O6 92.60(7) 2_777 . ?
O13 Na1 O6 87.40(7) . . ?
O13 Na1 O6 87.40(7) 2_777 2_777 ?
O13 Na1 O6 92.60(7) . 2_777 ?
O6 Na1 O6 180.00(5) . 2_777 ?
O13 Na1 O12 89.68(7) 2_777 2_777 ?
O13 Na1 O12 90.32(7) . 2_777 ?
O6 Na1 O12 87.97(7) . 2_777 ?
O6 Na1 O12 92.03(6) 2_777 2_777 ?
O13 Na1 O12 90.32(7) 2_777 . ?
O13 Na1 O12 89.68(7) . . ?
O6 Na1 O12 92.03(6) . . ?
O6 Na1 O12 87.97(7) 2_777 . ?
O12 Na1 O12 179.999(1) 2_777 . ?
O13 Na1 Na2 134.22(5) 2_777 . ?
O13 Na1 Na2 45.77(5) . . ?
O6 Na1 Na2 78.70(5) . . ?
O6 Na1 Na2 101.30(5) 2_777 . ?
O12 Na1 Na2 45.65(5) 2_777 . ?
O12 Na1 Na2 134.35(5) . . ?
O13 Na1 Na2 45.78(5) 2_777 2_777 ?
O13 Na1 Na2 134.23(5) . 2_777 ?
O6 Na1 Na2 101.30(5) . 2_777 ?
O6 Na1 Na2 78.70(5) 2_777 2_777 ?
O12 Na1 Na2 134.35(5) 2_777 2_777 ?
O12 Na1 Na2 45.65(5) . 2_777 ?
Na2 Na1 Na2 180.000(1) . 2_777 ?
O14 Na2 O7 99.45(7) . . ?
O14 Na2 O17 94.91(7) . 2_667 ?
O7 Na2 O17 79.16(7) . 2_667 ?
O14 Na2 O12 87.31(7) . 2_777 ?
O7 Na2 O12 91.01(7) . 2_777 ?
O17 Na2 O12 170.15(8) 2_667 2_777 ?
O14 Na2 O13 175.06(8) . . ?
O7 Na2 O13 84.12(7) . . ?
O17 Na2 O13 89.10(7) 2_667 . ?
O12 Na2 O13 89.22(7) 2_777 . ?
O14 Na2 O14 89.75(7) . 2_767 ?
O7 Na2 O14 159.51(8) . 2_767 ?
O17 Na2 O14 81.86(7) 2_667 2_767 ?
O12 Na2 O14 107.78(8) 2_777 2_767 ?
O13 Na2 O14 87.96(7) . 2_767 ?
O14 Na2 Na1 132.72(6) . . ?
O7 Na2 Na1 78.70(5) . . ?
O17 Na2 Na1 129.96(6) 2_667 . ?
O12 Na2 Na1 45.89(5) 2_777 . ?
O13 Na2 Na1 44.42(5) . . ?
O14 Na2 Na1 108.33(5) 2_767 . ?
O14 Na2 Na2 46.13(5) . 2_767 ?
O7 Na2 Na2 142.06(7) . 2_767 ?
O17 Na2 Na2 87.54(6) 2_667 2_767 ?
O12 Na2 Na2 100.82(6) 2_777 2_767 ?
O13 Na2 Na2 131.43(7) . 2_767 ?
O14 Na2 Na2 43.63(5) 2_767 2_767 ?
Na1 Na2 Na2 134.01(5) . 2_767 ?
O14 Na2 Na3 69.75(5) . . ?
O7 Na2 Na3 71.37(5) . . ?
O17 Na2 Na3 28.58(5) 2_667 . ?
O12 Na2 Na3 147.54(6) 2_777 . ?
O13 Na2 Na3 114.82(6) . . ?
O14 Na2 Na3 95.17(5) 2_767 . ?
Na1 Na2 Na3 145.84(3) . . ?
Na2 Na2 Na3 79.99(4) 2_767 . ?
O17 Na3 O17 179.999(1) . 2_667 ?
O17 Na3 O16 87.68(7) . . ?
O17 Na3 O16 92.32(7) 2_667 . ?
O17 Na3 O16 92.32(7) . 2_667 ?
O17 Na3 O16 87.68(7) 2_667 2_667 ?
O16 Na3 O16 180.00(12) . 2_667 ?
O17 Na3 O15 100.70(6) . . ?
O17 Na3 O15 79.30(6) 2_667 . ?
O16 Na3 O15 83.30(6) . . ?
O16 Na3 O15 96.70(6) 2_667 . ?
O17 Na3 O15 79.30(6) . 2_667 ?
O17 Na3 O15 100.70(6) 2_667 2_667 ?
O16 Na3 O15 96.70(6) . 2_667 ?
O16 Na3 O15 83.30(6) 2_667 2_667 ?
O15 Na3 O15 180.0 . 2_667 ?
O17 Na3 Na2 28.82(5) . 2_667 ?
O17 Na3 Na2 151.18(5) 2_667 2_667 ?
O16 Na3 Na2 74.17(5) . 2_667 ?
O16 Na3 Na2 105.82(5) 2_667 2_667 ?
O15 Na3 Na2 73.99(5) . 2_667 ?
O15 Na3 Na2 106.01(5) 2_667 2_667 ?
O17 Na3 Na2 151.18(5) . . ?
O17 Na3 Na2 28.82(5) 2_667 . ?
O16 Na3 Na2 105.83(5) . . ?
O16 Na3 Na2 74.18(5) 2_667 . ?
O15 Na3 Na2 106.01(5) . . ?
O15 Na3 Na2 73.99(5) 2_667 . ?
Na2 Na3 Na2 180.0 2_667 . ?
O7 S1 O5 112.91(11) . . ?
O7 S1 O6 112.68(11) . . ?
O5 S1 O6 111.50(11) . . ?
O7 S1 C4 106.54(11) . . ?
O5 S1 C4 106.10(12) . . ?
O6 S1 C4 106.54(12) . . ?
O10 S2 O9 112.87(11) . . ?
O10 S2 O8 112.50(11) . . ?
O9 S2 O8 110.79(11) . . ?
O10 S2 C14 108.35(12) . . ?
O9 S2 C14 106.61(12) . . ?
O8 S2 C14 105.22(12) . . ?
C7 N1 C8 119.1(2) . . ?
C7 N1 U1 122.42(17) . . ?
C8 N1 U1 117.73(15) . . ?
C10 N2 C9 116.8(2) . . ?
C10 N2 U1 124.38(17) . . ?
C9 N2 U1 117.57(15) . . ?
C1 O3 U1 121.85(15) . . ?
C11 O4 U1 126.75(16) . . ?
S1 O6 Na1 130.95(11) . . ?
S1 O7 Na2 128.75(11) . . ?
Na2 O12 Na1 88.46(7) 2_777 . ?
Na1 O13 Na2 89.81(7) . . ?
Na2 O14 Na2 90.25(7) . 2_767 ?
Na3 O17 Na2 122.60(9) . 2_667 ?
O3 C1 C2 119.5(2) . . ?
O3 C1 C6 121.6(2) . . ?
C2 C1 C6 118.8(2) . . ?
C3 C2 C1 120.8(2) . . ?
C2 C3 C4 120.0(2) . . ?
C5 C4 C3 120.1(2) . . ?
C5 C4 S1 121.02(19) . . ?
C3 C4 S1 118.79(19) . . ?
C4 C5 C6 120.7(2) . . ?
C5 C6 C1 119.5(2) . . ?
C5 C6 C7 119.1(2) . . ?
C1 C6 C7 121.2(2) . . ?
N1 C7 C6 124.6(2) . . ?
N1 C8 C9 108.2(2) . . ?
N2 C9 C8 109.6(2) . . ?
N2 C10 C16 125.2(2) . . ?
O4 C11 C16 121.3(2) . . ?
O4 C11 C12 119.3(2) . . ?
C16 C11 C12 119.3(2) . . ?
C13 C12 C11 120.6(2) . . ?
C12 C13 C14 120.2(2) . . ?
C15 C14 C13 120.5(2) . . ?
C15 C14 S2 121.8(2) . . ?
C13 C14 S2 117.69(19) . . ?
C14 C15 C16 120.1(2) . . ?
C11 C16 C15 119.2(2) . . ?
C11 C16 C10 122.8(2) . . ?
C15 C16 C10 117.8(2) . . ?

_diffrn_measured_fraction_theta_max 0.914
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.860
_refine_diff_density_min         -0.505
_refine_diff_density_rms         0.101
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0

_database_code_depnum_ccdc_archive 'CCDC 1000246'
