# Electronic Supplementary Material (ESI) for CrystEngComm
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 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.
#
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#  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
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# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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#  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.
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data_db101

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'H19 Na3 O16 P2'
_chemical_formula_weight         406.06

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_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                   6.0867(2)
_cell_length_b                   31.3792(8)
_cell_length_c                   8.2848(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 108.6180(10)
_cell_angle_gamma                90.00
_cell_volume                     1499.55(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9989
_cell_measurement_theta_min      2.59
_cell_measurement_theta_max      28.31

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      n/a
_exptl_crystal_density_diffrn    1.799
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             840
_exptl_absorpt_coefficient_mu    0.453
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8611
_exptl_absorpt_correction_T_max  0.9603
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'

_exptl_special_details           
; 
 Data collection is performed with three batch runs at phi = 0.00 deg 
 (650 frames), at phi = 120.00 deg (650 frames), and at phi = 240.00 deg 
 (650 frames). 
 Frame width = 0.30 deg in omega. 
 Data is merged, corrected for decay (if any), and treated with multi-scan 
 absorption corrections (if required). All symmetry-equivalent reflections 
 are merged for centrosymmetric data. 
 Friedel pairs are not merged for noncentrosymmetric data. 
;

_diffrn_ambient_temperature      200(2)
_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 APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20041
_diffrn_reflns_av_R_equivalents  0.0144
_diffrn_reflns_av_sigmaI/netI    0.0102
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.60
_diffrn_reflns_theta_max         28.31
_reflns_number_total             3636
_reflns_number_gt                3515
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX II, Bruker (2009)'
_computing_cell_refinement       'APEX II, Bruker (2009)'
_computing_data_reduction        'XPREP, Bruker (2009)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL, Bruker (2004)'
_computing_publication_material  'SHELXTL, Bruker (2004)'

_refine_special_details          
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ 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/[\s^2^(Fo^2^)+(0.0471P)^2^+0.8850P] where P=(Fo^2^+2Fc^2^)/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         3636
_refine_ls_number_parameters     190
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0265
_refine_ls_R_factor_gt           0.0255
_refine_ls_wR_factor_ref         0.0746
_refine_ls_wR_factor_gt          0.0739
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_restrained_S_all      1.010
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Na1 Na 0.35802(9) 0.258704(17) 0.11929(7) 0.01556(12) Uani 1 1 d . . .
Na2 Na 0.68045(9) 0.166508(17) 0.16789(7) 0.01632(12) Uani 1 1 d . . .
Na3 Na 0.78917(9) 0.983030(18) 0.59364(7) 0.01798(12) Uani 1 1 d . . .
P1 P 0.39206(5) 0.390969(9) 0.39974(4) 0.00925(8) Uani 1 1 d . . .
P2 P 0.00063(5) 0.336862(10) 0.21737(4) 0.00946(8) Uani 1 1 d . . .
O1 O 0.46422(16) 0.36004(3) 0.54515(11) 0.01469(18) Uani 1 1 d . . .
O2 O 0.27663(17) 0.43098(3) 0.42969(12) 0.01684(19) Uani 1 1 d . . .
O3 O 0.60195(16) 0.40440(3) 0.33870(12) 0.01523(18) Uani 1 1 d . . .
H3A H 0.6911 0.3835 0.3471 0.018 Uiso 1 1 calc R . .
O4 O 0.22666(16) 0.36730(3) 0.23455(11) 0.01351(18) Uani 1 1 d . . .
O5 O 0.08510(17) 0.29152(3) 0.22611(12) 0.01604(19) Uani 1 1 d . . .
O6 O -0.08503(15) 0.34816(3) 0.36599(11) 0.01300(17) Uani 1 1 d . . .
O7 O -0.16573(16) 0.34876(3) 0.04523(11) 0.01671(19) Uani 1 1 d . . .
O8 O 0.11504(16) 0.21745(3) -0.11377(12) 0.01598(18) Uani 1 1 d . . .
H8A H 0.2256 0.1974 -0.1279 0.019 Uiso 1 1 d R . .
H8B H -0.0078 0.2025 -0.0781 0.019 Uiso 1 1 d R . .
O9 O 0.38364(17) 0.32526(3) -0.03322(12) 0.0189(2) Uani 1 1 d . . .
H9A H 0.5452 0.3310 -0.0085 0.023 Uiso 1 1 d R . .
H9B H 0.3145 0.3451 0.0326 0.023 Uiso 1 1 d R . .
O10 O 0.34740(16) 0.18873(3) 0.24265(12) 0.01715(19) Uani 1 1 d . . .
H10A H 0.2154 0.1741 0.1697 0.021 Uiso 1 1 d R . .
H10B H 0.3728 0.1809 0.3648 0.021 Uiso 1 1 d R . .
O11 O 0.70401(17) 0.23587(3) 0.06295(12) 0.01842(19) Uani 1 1 d . . .
H11A H 0.6717 0.2323 -0.0569 0.022 Uiso 1 1 d R . .
H11B H 0.8363 0.2563 0.1094 0.022 Uiso 1 1 d R . .
O12 O 0.64203(18) 0.09225(3) 0.22423(13) 0.0211(2) Uani 1 1 d . . .
H12A H 0.4936 0.0868 0.2362 0.025 Uiso 1 1 d R . .
H12B H 0.6494 0.0803 0.1135 0.025 Uiso 1 1 d R . .
O13 O 0.48773(18) 1.01526(3) 0.69013(13) 0.0224(2) Uani 1 1 d . . .
H13A H 0.5786 1.0373 0.7598 0.027 Uiso 1 1 d R . .
H13B H 0.3733 1.0036 0.7433 0.027 Uiso 1 1 d R . .
O14 O 0.75215(18) 0.91345(3) 0.68222(13) 0.0193(2) Uani 1 1 d . . .
H14A H 0.8692 0.8993 0.7712 0.023 Uiso 1 1 d R . .
H14B H 0.6937 0.8943 0.5804 0.023 Uiso 1 1 d R . .
O15 O 1.08294(18) 0.95108(3) 0.48463(12) 0.0196(2) Uani 1 1 d . . .
H15A H 1.0123 0.9315 0.3947 0.023 Uiso 1 1 d R . .
H15B H 1.1749 0.9353 0.5900 0.023 Uiso 1 1 d R . .
O16 O 0.87261(19) 0.00165(3) 0.15756(13) 0.0219(2) Uani 1 1 d . . .
H16A H 0.8809 -0.0262 0.1132 0.026 Uiso 1 1 d R . .
H16B H 0.8459 0.0236 0.0649 0.026 Uiso 1 1 d R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Na1 0.0147(2) 0.0146(3) 0.0174(2) -0.00194(18) 0.00519(19) -0.00040(19)
Na2 0.0169(3) 0.0157(3) 0.0171(2) -0.00021(19) 0.0066(2) 0.00130(19)
Na3 0.0183(3) 0.0159(3) 0.0198(3) 0.00151(19) 0.0062(2) -0.0001(2)
P1 0.00874(14) 0.00834(15) 0.01020(14) -0.00001(10) 0.00236(10) 0.00022(10)
P2 0.00932(15) 0.01049(15) 0.00873(14) -0.00081(10) 0.00310(10) -0.00090(10)
O1 0.0132(4) 0.0158(4) 0.0146(4) 0.0050(3) 0.0038(3) 0.0021(3)
O2 0.0211(5) 0.0122(4) 0.0170(4) -0.0022(3) 0.0058(3) 0.0044(4)
O3 0.0110(4) 0.0133(4) 0.0223(4) 0.0045(3) 0.0065(3) 0.0000(3)
O4 0.0140(4) 0.0160(4) 0.0119(4) -0.0034(3) 0.0061(3) -0.0054(3)
O5 0.0191(5) 0.0114(4) 0.0198(4) -0.0008(3) 0.0093(4) 0.0009(3)
O6 0.0124(4) 0.0160(4) 0.0123(4) -0.0009(3) 0.0064(3) 0.0003(3)
O7 0.0154(4) 0.0216(5) 0.0108(4) 0.0011(3) 0.0009(3) -0.0020(4)
O8 0.0146(4) 0.0163(4) 0.0165(4) -0.0001(3) 0.0041(3) 0.0009(3)
O9 0.0157(4) 0.0227(5) 0.0183(4) 0.0006(4) 0.0054(4) -0.0004(4)
O10 0.0173(5) 0.0183(5) 0.0149(4) 0.0016(3) 0.0038(3) -0.0035(4)
O11 0.0197(5) 0.0169(5) 0.0204(4) -0.0033(4) 0.0089(4) -0.0037(4)
O12 0.0239(5) 0.0202(5) 0.0217(5) 0.0027(4) 0.0107(4) 0.0013(4)
O13 0.0209(5) 0.0248(5) 0.0216(5) -0.0061(4) 0.0067(4) -0.0061(4)
O14 0.0222(5) 0.0155(5) 0.0193(4) 0.0009(3) 0.0053(4) 0.0002(4)
O15 0.0251(5) 0.0154(5) 0.0176(4) 0.0004(3) 0.0060(4) 0.0005(4)
O16 0.0300(5) 0.0166(5) 0.0193(5) 0.0024(4) 0.0082(4) 0.0037(4)

_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
Na1 O5 2.3541(10) . ?
Na1 O8 2.3853(10) 4_666 ?
Na1 O8 2.4017(11) . ?
Na1 O11 2.4071(11) . ?
Na1 O10 2.4315(11) . ?
Na1 O9 2.4715(11) . ?
Na1 Na2 3.4466(8) . ?
Na2 O11 2.3649(11) . ?
Na2 O10 2.4043(11) . ?
Na2 O9 2.4027(11) 4_666 ?
Na2 O12 2.4025(12) . ?
Na2 O1 2.4151(10) 4_665 ?
Na2 O6 2.5492(10) 4_665 ?
Na2 P1 3.4168(6) 4_665 ?
Na3 O14 2.3371(11) . ?
Na3 O15 2.3716(11) 3_776 ?
Na3 O13 2.4167(12) 3_676 ?
Na3 O13 2.4423(12) . ?
Na3 O16 2.4512(12) 3_766 ?
Na3 O15 2.4595(12) . ?
Na3 Na3 3.5279(11) 3_676 ?
Na3 Na3 3.5596(11) 3_776 ?
P1 O1 1.4995(9) . ?
P1 O2 1.4977(10) . ?
P1 O3 1.5742(9) . ?
P1 O4 1.5995(9) . ?
P1 Na2 3.4168(6) 4_566 ?
P2 O5 1.5066(10) . ?
P2 O7 1.5088(9) . ?
P2 O6 1.5243(9) . ?
P2 O4 1.6432(9) . ?
O1 Na2 2.4151(10) 4_566 ?
O6 Na2 2.5492(10) 4_566 ?
O8 Na1 2.3852(10) 4_565 ?
O9 Na2 2.4026(11) 4_565 ?
O13 Na3 2.4167(12) 3_676 ?
O15 Na3 2.3715(11) 3_776 ?
O16 Na3 2.4512(12) 3_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
O5 Na1 O8 81.19(4) . 4_666 ?
O5 Na1 O8 102.17(4) . . ?
O8 Na1 O8 165.42(3) 4_666 . ?
O5 Na1 O11 165.74(4) . . ?
O8 Na1 O11 85.28(4) 4_666 . ?
O8 Na1 O11 92.06(4) . . ?
O5 Na1 O10 96.92(4) . . ?
O8 Na1 O10 89.50(4) 4_666 . ?
O8 Na1 O10 76.05(4) . . ?
O11 Na1 O10 87.42(4) . . ?
O5 Na1 O9 89.41(4) . . ?
O8 Na1 O9 94.54(4) 4_666 . ?
O8 Na1 O9 99.65(4) . . ?
O11 Na1 O9 87.16(4) . . ?
O10 Na1 O9 172.96(4) . . ?
O5 Na1 Na2 140.10(3) . . ?
O8 Na1 Na2 88.55(3) 4_666 . ?
O8 Na1 Na2 79.80(3) . . ?
O11 Na1 Na2 43.28(3) . . ?
O10 Na1 Na2 44.23(3) . . ?
O9 Na1 Na2 129.98(3) . . ?
O11 Na2 O10 89.02(4) . . ?
O11 Na2 O9 102.02(4) . 4_666 ?
O10 Na2 O9 84.39(4) . 4_666 ?
O11 Na2 O12 170.10(4) . . ?
O10 Na2 O12 95.10(4) . . ?
O9 Na2 O12 87.37(4) 4_666 . ?
O11 Na2 O1 91.56(4) . 4_665 ?
O10 Na2 O1 169.62(4) . 4_665 ?
O9 Na2 O1 105.61(4) 4_666 4_665 ?
O12 Na2 O1 82.78(4) . 4_665 ?
O11 Na2 O6 84.22(4) . 4_665 ?
O10 Na2 O6 89.01(3) . 4_665 ?
O9 Na2 O6 170.80(4) 4_666 4_665 ?
O12 Na2 O6 86.85(4) . 4_665 ?
O1 Na2 O6 80.74(3) 4_665 4_665 ?
O11 Na2 P1 99.62(3) . 4_665 ?
O10 Na2 P1 147.61(3) . 4_665 ?
O9 Na2 P1 123.37(3) 4_666 4_665 ?
O12 Na2 P1 72.22(3) . 4_665 ?
O1 Na2 P1 22.40(2) 4_665 4_665 ?
O6 Na2 P1 61.26(2) 4_665 4_665 ?
O11 Na2 Na1 44.25(3) . . ?
O10 Na2 Na1 44.86(3) . . ?
O9 Na2 Na1 96.70(3) 4_666 . ?
O12 Na2 Na1 138.57(3) . . ?
O1 Na2 Na1 134.22(3) 4_665 . ?
O6 Na2 Na1 82.99(3) 4_665 . ?
P1 Na2 Na1 133.309(19) 4_665 . ?
O14 Na3 O15 166.75(5) . 3_776 ?
O14 Na3 O13 102.65(4) . 3_676 ?
O15 Na3 O13 84.41(4) 3_776 3_676 ?
O14 Na3 O13 97.25(4) . . ?
O15 Na3 O13 94.29(4) 3_776 . ?
O13 Na3 O13 86.89(4) 3_676 . ?
O14 Na3 O16 93.35(4) . 3_766 ?
O15 Na3 O16 78.35(4) 3_776 3_766 ?
O13 Na3 O16 162.05(4) 3_676 3_766 ?
O13 Na3 O16 99.24(4) . 3_766 ?
O14 Na3 O15 83.61(4) . . ?
O15 Na3 O15 85.09(4) 3_776 . ?
O13 Na3 O15 90.85(4) 3_676 . ?
O13 Na3 O15 177.71(4) . . ?
O16 Na3 O15 82.81(4) 3_766 . ?
O14 Na3 Na3 103.73(4) . 3_676 ?
O15 Na3 Na3 89.15(3) 3_776 3_676 ?
O13 Na3 Na3 43.73(3) 3_676 3_676 ?
O13 Na3 Na3 43.16(3) . 3_676 ?
O16 Na3 Na3 139.72(4) 3_766 3_676 ?
O15 Na3 Na3 134.58(4) . 3_676 ?
O14 Na3 Na3 124.86(4) . 3_776 ?
O15 Na3 Na3 43.51(3) 3_776 3_776 ?
O13 Na3 Na3 86.86(3) 3_676 3_776 ?
O13 Na3 Na3 137.76(4) . 3_776 ?
O16 Na3 Na3 77.23(3) 3_766 3_776 ?
O15 Na3 Na3 41.59(3) . 3_776 ?
Na3 Na3 Na3 118.36(3) 3_676 3_776 ?
O1 P1 O2 116.24(5) . . ?
O1 P1 O3 111.83(5) . . ?
O2 P1 O3 107.49(6) . . ?
O1 P1 O4 109.25(5) . . ?
O2 P1 O4 109.31(5) . . ?
O3 P1 O4 101.72(5) . . ?
O1 P1 Na2 37.86(4) . 4_566 ?
O2 P1 Na2 92.33(4) . 4_566 ?
O3 P1 Na2 149.68(4) . 4_566 ?
O4 P1 Na2 92.65(3) . 4_566 ?
O5 P2 O7 113.26(6) . . ?
O5 P2 O6 112.36(5) . . ?
O7 P2 O6 113.99(5) . . ?
O5 P2 O4 106.33(5) . . ?
O7 P2 O4 103.22(5) . . ?
O6 P2 O4 106.72(5) . . ?
P1 O1 Na2 119.74(5) . 4_566 ?
P1 O4 P2 128.67(6) . . ?
P2 O5 Na1 131.76(6) . . ?
P2 O6 Na2 118.51(5) . 4_566 ?
Na1 O8 Na1 129.02(4) 4_565 . ?
Na2 O9 Na1 121.47(5) 4_565 . ?
Na2 O10 Na1 90.91(4) . . ?
Na2 O11 Na1 92.48(4) . . ?
Na3 O13 Na3 93.11(4) 3_676 . ?
Na3 O15 Na3 94.91(4) 3_776 . ?

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
O5 Na1 Na2 O11 -159.04(6) . . . . ?
O8 Na1 Na2 O11 -84.66(4) 4_666 . . . ?
O8 Na1 Na2 O11 104.14(4) . . . . ?
O10 Na1 Na2 O11 -175.44(5) . . . . ?
O9 Na1 Na2 O11 10.04(5) . . . . ?
O5 Na1 Na2 O10 16.39(6) . . . . ?
O8 Na1 Na2 O10 90.77(4) 4_666 . . . ?
O8 Na1 Na2 O10 -80.42(4) . . . . ?
O11 Na1 Na2 O10 175.44(5) . . . . ?
O9 Na1 Na2 O10 -174.52(5) . . . . ?
O5 Na1 Na2 O9 -58.68(6) . . . 4_666 ?
O8 Na1 Na2 O9 15.70(4) 4_666 . . 4_666 ?
O8 Na1 Na2 O9 -155.50(4) . . . 4_666 ?
O11 Na1 Na2 O9 100.36(5) . . . 4_666 ?
O10 Na1 Na2 O9 -75.07(4) . . . 4_666 ?
O9 Na1 Na2 O9 110.40(5) . . . 4_666 ?
O5 Na1 Na2 O12 34.94(7) . . . . ?
O8 Na1 Na2 O12 109.33(5) 4_666 . . . ?
O8 Na1 Na2 O12 -61.87(5) . . . . ?
O11 Na1 Na2 O12 -166.01(6) . . . . ?
O10 Na1 Na2 O12 18.55(6) . . . . ?
O9 Na1 Na2 O12 -155.97(5) . . . . ?
O5 Na1 Na2 O1 -178.17(5) . . . 4_665 ?
O8 Na1 Na2 O1 -103.79(5) 4_666 . . 4_665 ?
O8 Na1 Na2 O1 85.01(5) . . . 4_665 ?
O11 Na1 Na2 O1 -19.13(5) . . . 4_665 ?
O10 Na1 Na2 O1 165.43(6) . . . 4_665 ?
O9 Na1 Na2 O1 -9.09(6) . . . 4_665 ?
O5 Na1 Na2 O6 112.06(5) . . . 4_665 ?
O8 Na1 Na2 O6 -173.56(3) 4_666 . . 4_665 ?
O8 Na1 Na2 O6 15.24(3) . . . 4_665 ?
O11 Na1 Na2 O6 -88.90(4) . . . 4_665 ?
O10 Na1 Na2 O6 95.66(4) . . . 4_665 ?
O9 Na1 Na2 O6 -78.86(4) . . . 4_665 ?
O5 Na1 Na2 P1 150.65(5) . . . 4_665 ?
O8 Na1 Na2 P1 -134.97(3) 4_666 . . 4_665 ?
O8 Na1 Na2 P1 53.83(4) . . . 4_665 ?
O11 Na1 Na2 P1 -50.31(4) . . . 4_665 ?
O10 Na1 Na2 P1 134.26(4) . . . 4_665 ?
O9 Na1 Na2 P1 -40.27(5) . . . 4_665 ?
O2 P1 O1 Na2 55.92(8) . . . 4_566 ?
O3 P1 O1 Na2 179.87(5) . . . 4_566 ?
O4 P1 O1 Na2 -68.32(7) . . . 4_566 ?
O1 P1 O4 P2 48.31(9) . . . . ?
O2 P1 O4 P2 -79.91(9) . . . . ?
O3 P1 O4 P2 166.64(7) . . . . ?
Na2 P1 O4 P2 13.50(8) 4_566 . . . ?
O5 P2 O4 P1 -98.43(8) . . . . ?
O7 P2 O4 P1 142.14(8) . . . . ?
O6 P2 O4 P1 21.70(9) . . . . ?
O7 P2 O5 Na1 75.73(9) . . . . ?
O6 P2 O5 Na1 -153.33(7) . . . . ?
O4 P2 O5 Na1 -36.93(8) . . . . ?
O8 Na1 O5 P2 87.12(8) 4_666 . . . ?
O8 Na1 O5 P2 -107.31(8) . . . . ?
O11 Na1 O5 P2 68.5(2) . . . . ?
O10 Na1 O5 P2 175.53(7) . . . . ?
O9 Na1 O5 P2 -7.56(8) . . . . ?
Na2 Na1 O5 P2 164.10(5) . . . . ?
O5 P2 O6 Na2 52.12(7) . . . 4_566 ?
O7 P2 O6 Na2 -177.32(5) . . . 4_566 ?
O4 P2 O6 Na2 -64.05(6) . . . 4_566 ?
O5 Na1 O8 Na1 70.46(6) . . . 4_565 ?
O8 Na1 O8 Na1 172.37(14) 4_666 . . 4_565 ?
O11 Na1 O8 Na1 -108.50(6) . . . 4_565 ?
O10 Na1 O8 Na1 164.67(6) . . . 4_565 ?
O9 Na1 O8 Na1 -21.03(7) . . . 4_565 ?
Na2 Na1 O8 Na1 -150.20(5) . . . 4_565 ?
O5 Na1 O9 Na2 -100.33(5) . . . 4_565 ?
O8 Na1 O9 Na2 178.56(5) 4_666 . . 4_565 ?
O8 Na1 O9 Na2 1.91(6) . . . 4_565 ?
O11 Na1 O9 Na2 93.52(5) . . . 4_565 ?
O10 Na1 O9 Na2 53.8(3) . . . 4_565 ?
Na2 Na1 O9 Na2 86.65(5) . . . 4_565 ?
O11 Na2 O10 Na1 3.18(4) . . . . ?
O9 Na2 O10 Na1 105.36(4) 4_666 . . . ?
O12 Na2 O10 Na1 -167.80(4) . . . . ?
O1 Na2 O10 Na1 -90.1(2) 4_665 . . . ?
O6 Na2 O10 Na1 -81.05(3) 4_665 . . . ?
P1 Na2 O10 Na1 -103.37(6) 4_665 . . . ?
O5 Na1 O10 Na2 -169.49(4) . . . . ?
O8 Na1 O10 Na2 -88.43(4) 4_666 . . . ?
O8 Na1 O10 Na2 89.64(4) . . . . ?
O11 Na1 O10 Na2 -3.13(4) . . . . ?
O9 Na1 O10 Na2 36.6(3) . . . . ?
O10 Na2 O11 Na1 -3.22(4) . . . . ?
O9 Na2 O11 Na1 -87.27(4) 4_666 . . . ?
O12 Na2 O11 Na1 111.5(2) . . . . ?
O1 Na2 O11 Na1 166.41(4) 4_665 . . . ?
O6 Na2 O11 Na1 85.88(3) 4_665 . . . ?
P1 Na2 O11 Na1 145.40(3) 4_665 . . . ?
O5 Na1 O11 Na2 111.36(16) . . . . ?
O8 Na1 O11 Na2 92.89(4) 4_666 . . . ?
O8 Na1 O11 Na2 -72.75(4) . . . . ?
O10 Na1 O11 Na2 3.19(4) . . . . ?
O9 Na1 O11 Na2 -172.31(4) . . . . ?
O14 Na3 O13 Na3 -102.36(4) . . . 3_676 ?
O15 Na3 O13 Na3 84.15(4) 3_776 . . 3_676 ?
O13 Na3 O13 Na3 0.0 3_676 . . 3_676 ?
O16 Na3 O13 Na3 163.03(4) 3_766 . . 3_676 ?
O15 Na3 O13 Na3 9.7(11) . . . 3_676 ?
Na3 Na3 O13 Na3 81.88(6) 3_776 . . 3_676 ?
O14 Na3 O15 Na3 -173.06(5) . . . 3_776 ?
O15 Na3 O15 Na3 0.0 3_776 . . 3_776 ?
O13 Na3 O15 Na3 84.31(4) 3_676 . . 3_776 ?
O13 Na3 O15 Na3 74.6(11) . . . 3_776 ?
O16 Na3 O15 Na3 -78.85(4) 3_766 . . 3_776 ?
Na3 Na3 O15 Na3 83.94(5) 3_676 . . 3_776 ?

_diffrn_measured_fraction_theta_max 0.975
_diffrn_reflns_theta_full        28.31
_diffrn_measured_fraction_theta_full 0.975
_refine_diff_density_max         0.360
_refine_diff_density_min         -0.401
_refine_diff_density_rms         0.061
_database_code_depnum_ccdc_archive 'CCDC 940006'