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

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#                                CCDC 
# 
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#  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
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data_x13015

_vrf_PLAT414_x13015              
;
Short Intra D-H..H-X       H10A   ..  H16     ..       1.21 Ang.     
RESPONSE: Because H16 is the proton on the oxygen of a free 
          methanol (solvent) group, it could potentially be 
 	  rotated to a different position that does not 
	  approach H10a so closely. However, the methanol has 
	  only 10% occupancy, and there was insufficient 
	  electron density to refine the torsion angle.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C15.10 H33.38 Al4 Na3 O15.10'
_chemical_formula_weight         633.35

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'
Al Al 0.0645 0.0514 '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           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   11.2481(12)
_cell_length_b                   13.1877(14)
_cell_length_c                   18.235(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.738(2)
_cell_angle_gamma                90.00
_cell_volume                     2603.5(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9988
_cell_measurement_theta_min      2.43
_cell_measurement_theta_max      31.47

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1319
_exptl_absorpt_coefficient_mu    0.299
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9678
_exptl_absorpt_correction_T_max  0.9970
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2009)'

_exptl_special_details           
; 
 Bruker X8 Kappa DUO four-circle diffractometer, Bruker APEX2 CCD. 
 The instrument was purchased with the help of funding from the 
 National Science Foundation (NSF) under Grant Number 
 CHE-0946721.  Please acknowledge this grant in all publications 
 of this structure. 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'I\mS micro-focus sealed tube'
_diffrn_radiation_monochromator  'Incoatec I\mS multilayer optics'
_diffrn_measurement_device_type  'Bruker Smart APEX2 CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3
_diffrn_reflns_number            67765
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_sigmaI/netI    0.0342
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.88
_diffrn_reflns_theta_max         30.99
_reflns_number_total             8270
_reflns_number_gt                6124
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 v2011.4.0 (Bruker-AXS, 2011)'
_computing_cell_refinement       'SAINT 7.46A (Bruker-AXS, 2011)'
_computing_data_reduction        'SAINT 7.46A (Bruker-AXS, 2011)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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     
'calc w=1/[σ²(Fo²)+(0.0492P)²+1.7366P] 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         8270
_refine_ls_number_parameters     395
_refine_ls_number_restraints     459
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0405
_refine_ls_wR_factor_ref         0.1110
_refine_ls_wR_factor_gt          0.0994
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.023
_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
Al1 Al 0.25213(5) 0.30540(4) 0.82767(3) 0.01667(10) Uani 1 1 d U . .
O1 O 0.36031(11) 0.31963(10) 0.76640(7) 0.0203(2) Uani 1 1 d U . .
C1 C 0.48349(17) 0.29760(18) 0.76739(11) 0.0300(4) Uani 1 1 d U . .
H1A H 0.5201 0.2491 0.8088 0.036 Uiso 1 1 calc R . .
H1B H 0.5337 0.3603 0.7760 0.036 Uiso 1 1 calc R . .
C2 C 0.48081(18) 0.25159(17) 0.69032(11) 0.0291(4) Uani 1 1 d U . .
H2A H 0.5600 0.2651 0.6783 0.035 Uiso 1 1 calc R . .
H2B H 0.4697 0.1772 0.6919 0.035 Uiso 1 1 calc R . .
O2 O 0.38296(11) 0.29441(10) 0.63392(7) 0.0220(3) Uani 1 1 d U . .
Na1 Na 0.25773(7) 0.24997(5) 0.51612(4) 0.02012(15) Uani 1 1 d U . .
O3 O 0.13587(11) 0.27376(10) 0.60066(7) 0.0202(2) Uani 1 1 d U . .
C3 C 0.02157(16) 0.31081(14) 0.60873(10) 0.0219(3) Uani 1 1 d U . .
H3A H -0.0472 0.2675 0.5799 0.026 Uiso 1 1 calc R . .
H3B H 0.0072 0.3808 0.5887 0.026 Uiso 1 1 calc R . .
C4 C 0.02799(16) 0.30905(15) 0.69357(10) 0.0223(3) Uani 1 1 d U . .
H4A H -0.0357 0.3542 0.7042 0.027 Uiso 1 1 calc R . .
H4B H 0.0145 0.2394 0.7100 0.027 Uiso 1 1 calc R . .
O4 O 0.14815(11) 0.34364(10) 0.73231(7) 0.0199(2) Uani 1 1 d U . .
Al2 Al 0.25789(5) 0.34340(4) 0.66961(3) 0.01869(11) Uani 1 1 d U . .
O5 O 0.26698(12) 0.43676(9) 0.86935(7) 0.0195(2) Uani 1 1 d DU . .
C5 C 0.3004(4) 0.5350(3) 0.8510(3) 0.0205(7) Uani 0.759(13) 1 d PDU A 1
H5A H 0.3243 0.5335 0.8027 0.025 Uiso 0.759(13) 1 calc PR A 1
H5B H 0.3713 0.5606 0.8918 0.025 Uiso 0.759(13) 1 calc PR A 1
C6 C 0.1880(4) 0.6039(3) 0.8432(3) 0.0266(8) Uani 0.759(13) 1 d PDU A 1
H6A H 0.2155 0.6746 0.8558 0.032 Uiso 0.759(13) 1 calc PR A 1
H6B H 0.1355 0.6024 0.7899 0.032 Uiso 0.759(13) 1 calc PR A 1
C5A C 0.2721(17) 0.5292(8) 0.8266(9) 0.029(2) Uani 0.241(13) 1 d PDU A 2
H5A1 H 0.2203 0.5232 0.7734 0.034 Uiso 0.241(13) 1 calc PR A 2
H5A2 H 0.3580 0.5450 0.8263 0.034 Uiso 0.241(13) 1 calc PR A 2
C6A C 0.2214(15) 0.6098(10) 0.8699(10) 0.029(2) Uani 0.241(13) 1 d PDU A 2
H6A1 H 0.2869 0.6314 0.9153 0.035 Uiso 0.241(13) 1 calc PR A 2
H6A2 H 0.1950 0.6698 0.8368 0.035 Uiso 0.241(13) 1 calc PR A 2
O6 O 0.11939(12) 0.57049(9) 0.89270(7) 0.0234(3) Uani 1 1 d DU . .
Na2 Na -0.05803(6) 0.59772(5) 0.93164(4) 0.02018(15) Uani 1 1 d U . .
O7 O -0.01259(11) 0.42024(9) 0.93131(7) 0.0205(2) Uani 1 1 d U . .
C7 C -0.07474(16) 0.33978(13) 0.88558(10) 0.0214(3) Uani 1 1 d U A .
H7A H -0.1146 0.3645 0.8335 0.026 Uiso 1 1 calc R . .
H7B H -0.1396 0.3120 0.9073 0.026 Uiso 1 1 calc R . .
C8 C 0.01940(16) 0.25727(13) 0.88293(10) 0.0198(3) Uani 1 1 d U . .
H8A H 0.0335 0.2128 0.9282 0.024 Uiso 1 1 calc R A .
H8B H -0.0101 0.2152 0.8366 0.024 Uiso 1 1 calc R . .
O8 O 0.12990(11) 0.30898(9) 0.88206(7) 0.0178(2) Uani 1 1 d U . .
Al3 Al 0.14277(5) 0.44050(4) 0.92029(3) 0.01709(11) Uani 1 1 d U . .
O9 O 0.37183(11) 0.25690(9) 0.91478(7) 0.0179(2) Uani 1 1 d U . .
C9 C 0.48703(17) 0.29424(14) 0.95938(11) 0.0246(4) Uani 1 1 d U . .
H9A H 0.4762 0.3297 1.0050 0.030 Uiso 1 1 calc R . .
H9B H 0.5218 0.3428 0.9293 0.030 Uiso 1 1 calc R . .
C10 C 0.5728(2) 0.20511(15) 0.98297(15) 0.0387(5) Uani 1 1 d U . .
H10A H 0.6416 0.2116 0.9590 0.046 Uiso 1 1 calc R A .
H10B H 0.6086 0.2072 1.0389 0.046 Uiso 1 1 calc R . .
O10 O 0.51723(13) 0.11380(10) 0.96364(9) 0.0333(3) Uani 1 1 d U . .
Na3 Na 0.57201(7) -0.04164(6) 0.91850(4) 0.02643(17) Uani 1 1 d U . .
O11 O 0.38161(12) 0.01211(10) 0.84646(7) 0.0244(3) Uani 1 1 d U A .
C11 C 0.27914(18) -0.00474(14) 0.78359(11) 0.0258(4) Uani 1 1 d U . .
H11A H 0.2170 -0.0465 0.7992 0.031 Uiso 1 1 calc R A .
H11B H 0.3053 -0.0416 0.7433 0.031 Uiso 1 1 calc R . .
C12 C 0.22283(17) 0.09777(14) 0.75307(10) 0.0222(3) Uani 1 1 d U A .
H12A H 0.2672 0.1269 0.7180 0.027 Uiso 1 1 calc R . .
H12B H 0.1348 0.0894 0.7250 0.027 Uiso 1 1 calc R . .
O12 O 0.23435(11) 0.16265(9) 0.81706(7) 0.0189(2) Uani 1 1 d U . .
Al4 Al 0.36069(5) 0.11687(4) 0.90357(3) 0.01835(11) Uani 1 1 d U . .
O13 O 0.26604(13) 0.46957(10) 0.64095(8) 0.0262(3) Uani 1 1 d DU . .
C13 C 0.1909(2) 0.55438(18) 0.64400(14) 0.0336(5) Uani 0.905(3) 1 d PDU B 1
H13A H 0.2421 0.6092 0.6724 0.050 Uiso 0.905(3) 1 calc PR B 1
H13B H 0.1280 0.5354 0.6696 0.050 Uiso 0.905(3) 1 calc PR B 1
H13C H 0.1504 0.5774 0.5921 0.050 Uiso 0.905(3) 1 calc PR B 1
C13A C 0.2063(19) 0.5227(16) 0.5732(10) 0.033(5) Uani 0.095(3) 1 d PDU B 2
H13D H 0.2346 0.5933 0.5774 0.049 Uiso 0.095(3) 1 calc PR B 2
H13E H 0.1167 0.5210 0.5658 0.049 Uiso 0.095(3) 1 calc PR B 2
H13F H 0.2263 0.4906 0.5296 0.049 Uiso 0.095(3) 1 calc PR B 2
C16 C 0.2657(17) 0.6408(14) 0.6706(10) 0.025(4) Uani 0.095(3) 1 d PDU B 3
H16A H 0.2938 0.6881 0.7132 0.037 Uiso 0.095(3) 1 calc PR B 3
H16B H 0.3153 0.5786 0.6811 0.037 Uiso 0.095(3) 1 calc PR B 3
H16C H 0.1786 0.6241 0.6642 0.037 Uiso 0.095(3) 1 calc PR B 3
O16 O 0.2795(19) 0.6860(17) 0.6031(10) 0.058(6) Uani 0.095(3) 1 d PDU B 3
H16 H 0.3548 0.6891 0.6049 0.086 Uiso 0.095(3) 1 calc PR B 3
O14 O 0.22575(11) 0.42489(9) 1.01758(7) 0.0196(2) Uani 1 1 d DU . .
C14 C 0.32193(19) 0.49065(15) 1.05498(12) 0.0298(4) Uani 1 1 d DU A .
H14A H 0.3858 0.4916 1.0276 0.045 Uiso 1 1 calc R . .
H14B H 0.3579 0.4669 1.1072 0.045 Uiso 1 1 calc R . .
H14C H 0.2890 0.5593 1.0561 0.045 Uiso 1 1 calc R . .
O15 O 0.27568(12) 0.08788(9) 0.96930(7) 0.0227(3) Uani 1 1 d DU . .
C15 C 0.1771(2) 0.01775(17) 0.95076(18) 0.0265(7) Uani 0.891(10) 1 d PDU A 1
H15A H 0.2102 -0.0512 0.9525 0.040 Uiso 0.891(10) 1 calc PR A 1
H15B H 0.1247 0.0319 0.8994 0.040 Uiso 0.891(10) 1 calc PR A 1
H15C H 0.1280 0.0239 0.9875 0.040 Uiso 0.891(10) 1 calc PR A 1
C15A C 0.1839(18) 0.0281(17) 0.9929(16) 0.036(5) Uani 0.109(10) 1 d PDU A 3
H15D H 0.1771 0.0524 1.0423 0.054 Uiso 0.109(10) 1 calc PR A 3
H15E H 0.2090 -0.0433 0.9972 0.054 Uiso 0.109(10) 1 calc PR A 3
H15F H 0.1038 0.0348 0.9549 0.054 Uiso 0.109(10) 1 calc PR A 3


_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
Al1 O1 1.8714(13) . ?
Al1 O5 1.8808(13) . ?
Al1 O4 1.8822(13) . ?
Al1 O9 1.8933(13) . ?
Al1 O12 1.8975(13) . ?
Al1 O8 1.9014(13) . ?
Al1 Al2 2.9434(8) . ?
Al1 Al3 2.9439(7) . ?
Al1 Al4 2.9448(8) . ?
Al1 Na1 3.4969(9) 4_566 ?
O1 C1 1.411(2) . ?
O1 Al2 1.8540(13) . ?
C1 C2 1.523(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 O2 1.405(2) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
O2 Al2 1.8211(13) . ?
O2 Na1 2.3023(14) . ?
O2 Na3 2.4714(15) 2_656 ?
Na1 O15 2.3315(15) 4_565 ?
Na1 O14 2.3351(14) 4_565 ?
Na1 O3 2.3451(14) . ?
Na1 O9 2.5213(14) 4_565 ?
Na1 O8 2.5964(14) 4_565 ?
Na1 C15A 3.04(2) 4_565 ?
Na1 Al2 3.0577(9) . ?
Na1 C9 3.084(2) 4_565 ?
Na1 C8 3.0924(19) 4_565 ?
Na1 Al3 3.1319(9) 4_565 ?
Na1 Al4 3.1508(9) 4_565 ?
O3 C3 1.420(2) . ?
O3 Al2 1.8363(13) . ?
O3 Na2 2.4946(15) 2_546 ?
C3 C4 1.529(2) . ?
C3 Na2 2.962(2) 2_546 ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 O4 1.420(2) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
O4 Al2 1.8964(13) . ?
Al2 O13 1.7539(14) . ?
Al2 Na3 3.1950(9) 2_656 ?
O5 C5 1.414(4) . ?
O5 C5A 1.456(11) . ?
O5 Al3 1.8766(13) . ?
C5 C6 1.531(5) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 O6 1.408(4) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C5A C6A 1.523(13) . ?
C5A H5A1 0.9900 . ?
C5A H5A2 0.9900 . ?
C6A O6 1.421(10) . ?
C6A H6A1 0.9900 . ?
C6A H6A2 0.9900 . ?
O6 Al3 1.7859(14) . ?
O6 Na2 2.3205(14) . ?
Na2 O14 2.3352(14) 3_567 ?
Na2 O7 2.3961(15) . ?
Na2 O7 2.4200(14) 3_567 ?
Na2 O3 2.4946(15) 2_556 ?
Na2 C3 2.961(2) 2_556 ?
Na2 Al3 3.1140(9) . ?
Na2 Al3 3.1382(9) 3_567 ?
Na2 Na1 3.3384(10) 2_556 ?
Na2 Na2 3.5774(14) 3_567 ?
O7 C7 1.412(2) . ?
O7 Al3 1.8319(13) . ?
O7 Na2 2.4199(14) 3_567 ?
C7 C8 1.528(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 O8 1.422(2) . ?
C8 Na1 3.0924(19) 4_566 ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
O8 Al3 1.8602(13) . ?
O8 Na1 2.5964(14) 4_566 ?
Al3 O14 1.7784(13) . ?
Al3 Na1 3.1319(9) 4_566 ?
Al3 Na2 3.1382(9) 3_567 ?
O9 C9 1.418(2) . ?
O9 Al4 1.8585(13) . ?
O9 Na1 2.5213(14) 4_566 ?
C9 C10 1.507(3) . ?
C9 Na1 3.084(2) 4_566 ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 O10 1.358(2) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
O10 Al4 1.8043(14) . ?
O10 Na3 2.3526(16) . ?
O10 Na3 2.7754(19) 3_657 ?
Na3 O11 2.2996(15) . ?
Na3 O13 2.3635(16) 2_646 ?
Na3 O15 2.3647(15) 3_657 ?
Na3 O2 2.4714(15) 2_646 ?
Na3 C13A 2.600(19) 2_646 ?
Na3 O10 2.7754(19) 3_657 ?
Na3 C15A 2.79(2) 3_657 ?
Na3 Al4 3.1213(9) . ?
Na3 Al2 3.1951(9) 2_646 ?
Na3 Al4 3.2792(10) 3_657 ?
Na3 Na1 3.3768(11) 2_646 ?
O11 C11 1.406(2) . ?
O11 Al4 1.7836(14) . ?
C11 C12 1.532(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 O12 1.4242(19) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
O12 Al4 1.9122(13) . ?
Al4 O15 1.7661(14) . ?
Al4 Na1 3.1508(9) 4_566 ?
Al4 Na3 3.2792(10) 3_657 ?
O13 C13 1.412(3) . ?
O13 C13A 1.422(13) . ?
O13 Na3 2.3635(16) 2_656 ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C13A H13D 0.9800 . ?
C13A H13E 0.9800 . ?
C13A H13F 0.9800 . ?
C16 O16 1.413(14) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
O16 H16 0.8400 . ?
O14 C14 1.410(2) . ?
O14 Na1 2.3351(14) 4_566 ?
O14 Na2 2.3351(14) 3_567 ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
O15 C15 1.413(2) . ?
O15 C15A 1.453(13) . ?
O15 Na1 2.3315(15) 4_566 ?
O15 Na3 2.3646(15) 3_657 ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15A H15D 0.9800 . ?
C15A H15E 0.9800 . ?
C15A H15F 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
O1 Al1 O5 98.51(6) . . ?
O1 Al1 O4 76.30(6) . . ?
O5 Al1 O4 95.24(6) . . ?
O1 Al1 O9 96.04(6) . . ?
O5 Al1 O9 90.41(6) . . ?
O4 Al1 O9 171.06(6) . . ?
O1 Al1 O12 96.10(6) . . ?
O5 Al1 O12 161.87(6) . . ?
O4 Al1 O12 98.61(6) . . ?
O9 Al1 O12 77.39(5) . . ?
O1 Al1 O8 171.18(6) . . ?
O5 Al1 O8 76.35(5) . . ?
O4 Al1 O8 96.85(6) . . ?
O9 Al1 O8 91.21(6) . . ?
O12 Al1 O8 90.38(6) . . ?
O1 Al1 Al2 37.60(4) . . ?
O5 Al1 Al2 102.46(4) . . ?
O4 Al1 Al2 39.01(4) . . ?
O9 Al1 Al2 132.81(5) . . ?
O12 Al1 Al2 95.67(4) . . ?
O8 Al1 Al2 135.85(4) . . ?
O1 Al1 Al3 136.26(5) . . ?
O5 Al1 Al3 38.37(4) . . ?
O4 Al1 Al3 96.68(4) . . ?
O9 Al1 Al3 92.05(4) . . ?
O12 Al1 Al3 127.59(4) . . ?
O8 Al1 Al3 38.00(4) . . ?
Al2 Al1 Al3 125.62(2) . . ?
O1 Al1 Al4 96.39(4) . . ?
O5 Al1 Al4 127.42(4) . . ?
O4 Al1 Al4 137.30(5) . . ?
O9 Al1 Al4 37.87(4) . . ?
O12 Al1 Al4 39.56(4) . . ?
O8 Al1 Al4 92.42(4) . . ?
Al2 Al1 Al4 119.17(2) . . ?
Al3 Al1 Al4 115.21(2) . . ?
O1 Al1 Na1 140.03(4) . 4_566 ?
O5 Al1 Na1 79.59(4) . 4_566 ?
O4 Al1 Na1 143.60(5) . 4_566 ?
O9 Al1 Na1 44.43(4) . 4_566 ?
O12 Al1 Na1 82.32(4) . 4_566 ?
O8 Al1 Na1 46.80(4) . 4_566 ?
Al2 Al1 Na1 176.85(2) . 4_566 ?
Al3 Al1 Na1 57.422(18) . 4_566 ?
Al4 Al1 Na1 57.806(18) . 4_566 ?
C1 O1 Al2 113.67(11) . . ?
C1 O1 Al1 140.09(11) . . ?
Al2 O1 Al1 104.39(6) . . ?
O1 C1 C2 107.25(15) . . ?
O1 C1 H1A 110.3 . . ?
C2 C1 H1A 110.3 . . ?
O1 C1 H1B 110.3 . . ?
C2 C1 H1B 110.3 . . ?
H1A C1 H1B 108.5 . . ?
O2 C2 C1 109.31(15) . . ?
O2 C2 H2A 109.8 . . ?
C1 C2 H2A 109.8 . . ?
O2 C2 H2B 109.8 . . ?
C1 C2 H2B 109.8 . . ?
H2A C2 H2B 108.3 . . ?
C2 O2 Al2 114.12(11) . . ?
C2 O2 Na1 137.75(12) . . ?
Al2 O2 Na1 95.01(6) . . ?
C2 O2 Na3 115.64(12) . 2_656 ?
Al2 O2 Na3 95.00(6) . 2_656 ?
Na1 O2 Na3 89.97(5) . 2_656 ?
O2 Na1 O15 90.94(5) . 4_565 ?
O2 Na1 O14 107.33(5) . 4_565 ?
O15 Na1 O14 159.85(5) 4_565 4_565 ?
O2 Na1 O3 70.81(5) . . ?
O15 Na1 O3 104.01(5) 4_565 . ?
O14 Na1 O3 90.31(5) 4_565 . ?
O2 Na1 O9 112.88(5) . 4_565 ?
O15 Na1 O9 69.68(4) 4_565 4_565 ?
O14 Na1 O9 94.79(5) 4_565 4_565 ?
O3 Na1 O9 172.33(5) . 4_565 ?
O2 Na1 O8 175.66(5) . 4_565 ?
O15 Na1 O8 90.61(5) 4_565 4_565 ?
O14 Na1 O8 70.57(4) 4_565 4_565 ?
O3 Na1 O8 112.70(5) . 4_565 ?
O9 Na1 O8 63.96(4) 4_565 4_565 ?
O2 Na1 C15A 87.7(5) . 4_565 ?
O15 Na1 C15A 27.6(4) 4_565 4_565 ?
O14 Na1 C15A 156.2(4) 4_565 4_565 ?
O3 Na1 C15A 77.1(4) . 4_565 ?
O9 Na1 C15A 96.1(5) 4_565 4_565 ?
O8 Na1 C15A 95.5(5) 4_565 4_565 ?
O2 Na1 Al2 36.39(3) . . ?
O15 Na1 Al2 89.26(4) 4_565 . ?
O14 Na1 Al2 110.45(4) 4_565 . ?
O3 Na1 Al2 36.84(3) . . ?
O9 Na1 Al2 144.23(4) 4_565 . ?
O8 Na1 Al2 147.70(4) 4_565 . ?
C15A Na1 Al2 70.9(5) 4_565 . ?
O2 Na1 C9 90.31(5) . 4_565 ?
O15 Na1 C9 83.52(5) 4_565 4_565 ?
O14 Na1 C9 87.86(5) 4_565 4_565 ?
O3 Na1 C9 159.55(5) . 4_565 ?
O9 Na1 C9 27.00(4) 4_565 4_565 ?
O8 Na1 C9 85.84(5) 4_565 4_565 ?
C15A Na1 C9 110.9(4) 4_565 4_565 ?
Al2 Na1 C9 126.19(4) . 4_565 ?
O2 Na1 C8 157.12(5) . 4_565 ?
O15 Na1 C8 83.30(5) 4_565 4_565 ?
O14 Na1 C8 82.82(5) 4_565 4_565 ?
O3 Na1 C8 89.06(5) . 4_565 ?
O9 Na1 C8 85.89(5) 4_565 4_565 ?
O8 Na1 C8 27.20(4) 4_565 4_565 ?
C15A Na1 C8 77.0(5) 4_565 4_565 ?
Al2 Na1 C8 121.10(4) . 4_565 ?
C9 Na1 C8 110.88(5) 4_565 4_565 ?
O2 Na1 Al3 141.28(4) . 4_565 ?
O15 Na1 Al3 126.51(4) 4_565 4_565 ?
O14 Na1 Al3 34.19(3) 4_565 4_565 ?
O3 Na1 Al3 104.33(4) . 4_565 ?
O9 Na1 Al3 77.14(3) 4_565 4_565 ?
O8 Na1 Al3 36.40(3) 4_565 4_565 ?
C15A Na1 Al3 129.7(5) 4_565 4_565 ?
Al2 Na1 Al3 137.01(3) . 4_565 ?
C9 Na1 Al3 85.27(4) 4_565 4_565 ?
C8 Na1 Al3 53.01(3) 4_565 4_565 ?
O2 Na1 Al4 103.06(4) . 4_565 ?
O15 Na1 Al4 33.55(3) 4_565 4_565 ?
O14 Na1 Al4 130.00(4) 4_565 4_565 ?
O3 Na1 Al4 137.50(4) . 4_565 ?
O9 Na1 Al4 36.14(3) 4_565 4_565 ?
O8 Na1 Al4 76.18(3) 4_565 4_565 ?
C15A Na1 Al4 60.5(4) 4_565 4_565 ?
Al2 Na1 Al4 117.56(3) . 4_565 ?
C9 Na1 Al4 53.00(4) 4_565 4_565 ?
C8 Na1 Al4 84.21(4) 4_565 4_565 ?
Al3 Na1 Al4 104.63(2) 4_565 4_565 ?
C3 O3 Al2 106.65(10) . . ?
C3 O3 Na1 145.21(10) . . ?
Al2 O3 Na1 93.18(6) . . ?
C3 O3 Na2 94.30(10) . 2_546 ?
Al2 O3 Na2 140.93(7) . 2_546 ?
Na1 O3 Na2 87.17(5) . 2_546 ?
O3 C3 C4 107.70(13) . . ?
O3 C3 Na2 57.14(8) . 2_546 ?
C4 C3 Na2 105.39(11) . 2_546 ?
O3 C3 H3A 110.2 . . ?
C4 C3 H3A 110.2 . . ?
Na2 C3 H3A 57.4 2_546 . ?
O3 C3 H3B 110.2 . . ?
C4 C3 H3B 110.2 . . ?
Na2 C3 H3B 144.4 2_546 . ?
H3A C3 H3B 108.5 . . ?
O4 C4 C3 106.01(14) . . ?
O4 C4 H4A 110.5 . . ?
C3 C4 H4A 110.5 . . ?
O4 C4 H4B 110.5 . . ?
C3 C4 H4B 110.5 . . ?
H4A C4 H4B 108.7 . . ?
C4 O4 Al1 129.99(11) . . ?
C4 O4 Al2 112.77(10) . . ?
Al1 O4 Al2 102.33(6) . . ?
O13 Al2 O2 97.02(7) . . ?
O13 Al2 O3 111.11(7) . . ?
O2 Al2 O3 94.83(6) . . ?
O13 Al2 O1 112.02(7) . . ?
O2 Al2 O1 86.53(6) . . ?
O3 Al2 O1 136.33(6) . . ?
O13 Al2 O4 105.86(6) . . ?
O2 Al2 O4 155.26(6) . . ?
O3 Al2 O4 85.75(6) . . ?
O1 Al2 O4 76.37(5) . . ?
O13 Al2 Al1 118.04(5) . . ?
O2 Al2 Al1 120.92(5) . . ?
O3 Al2 Al1 111.99(5) . . ?
O1 Al2 Al1 38.01(4) . . ?
O4 Al2 Al1 38.66(4) . . ?
O13 Al2 Na1 95.54(5) . . ?
O2 Al2 Na1 48.60(4) . . ?
O3 Al2 Na1 49.98(4) . . ?
O1 Al2 Na1 130.48(5) . . ?
O4 Al2 Na1 135.53(5) . . ?
Al1 Al2 Na1 146.41(3) . . ?
O13 Al2 Na3 46.62(5) . 2_656 ?
O2 Al2 Na3 50.41(5) . 2_656 ?
O3 Al2 Na3 109.35(5) . 2_656 ?
O1 Al2 Na3 104.87(5) . 2_656 ?
O4 Al2 Na3 151.50(5) . 2_656 ?
Al1 Al2 Na3 138.45(3) . 2_656 ?
Na1 Al2 Na3 65.33(2) . 2_656 ?
C5 O5 C5A 19.1(6) . . ?
C5 O5 Al3 111.95(18) . . ?
C5A O5 Al3 112.7(5) . . ?
C5 O5 Al1 138.5(2) . . ?
C5A O5 Al1 124.5(6) . . ?
Al3 O5 Al1 103.16(6) . . ?
O5 C5 C6 107.5(3) . . ?
O5 C5 H5A 110.2 . . ?
C6 C5 H5A 110.2 . . ?
O5 C5 H5B 110.2 . . ?
C6 C5 H5B 110.2 . . ?
H5A C5 H5B 108.5 . . ?
O6 C6 C5 109.7(3) . . ?
O6 C6 H6A 109.7 . . ?
C5 C6 H6A 109.7 . . ?
O6 C6 H6B 109.7 . . ?
C5 C6 H6B 109.7 . . ?
H6A C6 H6B 108.2 . . ?
O5 C5A C6A 103.5(10) . . ?
O5 C5A H5A1 111.1 . . ?
C6A C5A H5A1 111.1 . . ?
O5 C5A H5A2 111.1 . . ?
C6A C5A H5A2 111.1 . . ?
H5A1 C5A H5A2 109.0 . . ?
O6 C6A C5A 110.0(10) . . ?
O6 C6A H6A1 109.7 . . ?
C5A C6A H6A1 109.7 . . ?
O6 C6A H6A2 109.7 . . ?
C5A C6A H6A2 109.7 . . ?
H6A1 C6A H6A2 108.2 . . ?
C6 O6 C6A 21.8(6) . . ?
C6 O6 Al3 114.62(18) . . ?
C6A O6 Al3 111.3(6) . . ?
C6 O6 Na2 144.50(17) . . ?
C6A O6 Na2 149.7(5) . . ?
Al3 O6 Na2 97.79(6) . . ?
O6 Na2 O14 162.93(6) . 3_567 ?
O6 Na2 O7 69.29(5) . . ?
O14 Na2 O7 94.13(5) 3_567 . ?
O6 Na2 O7 103.43(5) . 3_567 ?
O14 Na2 O7 69.65(5) 3_567 3_567 ?
O7 Na2 O7 84.06(5) . 3_567 ?
O6 Na2 O3 110.35(5) . 2_556 ?
O14 Na2 O3 86.73(5) 3_567 2_556 ?
O7 Na2 O3 165.91(5) . 2_556 ?
O7 Na2 O3 109.32(5) 3_567 2_556 ?
O6 Na2 C3 83.24(5) . 2_556 ?
O14 Na2 C3 113.64(5) 3_567 2_556 ?
O7 Na2 C3 151.92(5) . 2_556 ?
O7 Na2 C3 108.71(5) 3_567 2_556 ?
O3 Na2 C3 28.56(4) 2_556 2_556 ?
O6 Na2 Al3 34.63(3) . . ?
O14 Na2 Al3 128.31(4) 3_567 . ?
O7 Na2 Al3 35.94(3) . . ?
O7 Na2 Al3 87.86(4) 3_567 . ?
O3 Na2 Al3 144.93(4) 2_556 . ?
C3 Na2 Al3 117.61(4) 2_556 . ?
O6 Na2 Al3 136.51(4) . 3_567 ?
O14 Na2 Al3 34.08(3) 3_567 3_567 ?
O7 Na2 Al3 87.71(4) . 3_567 ?
O7 Na2 Al3 35.61(3) 3_567 3_567 ?
O3 Na2 Al3 100.57(4) 2_556 3_567 ?
C3 Na2 Al3 117.46(4) 2_556 3_567 ?
Al3 Na2 Al3 110.20(2) . 3_567 ?
O6 Na2 Na1 151.82(4) . 2_556 ?
O14 Na2 Na1 44.37(3) 3_567 2_556 ?
O7 Na2 Na1 138.48(4) . 2_556 ?
O7 Na2 Na1 79.75(4) 3_567 2_556 ?
O3 Na2 Na1 44.56(3) 2_556 2_556 ?
C3 Na2 Na1 69.48(4) 2_556 2_556 ?
Al3 Na2 Na1 167.34(3) . 2_556 ?
Al3 Na2 Na1 57.739(19) 3_567 2_556 ?
O6 Na2 Na2 85.42(4) . 3_567 ?
O14 Na2 Na2 79.22(4) 3_567 3_567 ?
O7 Na2 Na2 42.28(3) . 3_567 ?
O7 Na2 Na2 41.77(3) 3_567 3_567 ?
O3 Na2 Na2 150.85(4) 2_556 3_567 ?
C3 Na2 Na2 143.89(5) 2_556 3_567 ?
Al3 Na2 Na2 55.42(2) . 3_567 ?
Al3 Na2 Na2 54.78(2) 3_567 3_567 ?
Na1 Na2 Na2 112.40(3) 2_556 3_567 ?
C7 O7 Al3 112.27(10) . . ?
C7 O7 Na2 131.59(11) . . ?
Al3 O7 Na2 93.92(5) . . ?
C7 O7 Na2 120.50(11) . 3_567 ?
Al3 O7 Na2 94.12(6) . 3_567 ?
Na2 O7 Na2 95.94(5) . 3_567 ?
O7 C7 C8 108.51(14) . . ?
O7 C7 H7A 110.0 . . ?
C8 C7 H7A 110.0 . . ?
O7 C7 H7B 110.0 . . ?
C8 C7 H7B 110.0 . . ?
H7A C7 H7B 108.4 . . ?
O8 C8 C7 105.91(13) . . ?
O8 C8 Na1 56.58(8) . 4_566 ?
C7 C8 Na1 117.23(11) . 4_566 ?
O8 C8 H8A 110.6 . . ?
C7 C8 H8A 110.6 . . ?
Na1 C8 H8A 54.4 4_566 . ?
O8 C8 H8B 110.6 . . ?
C7 C8 H8B 110.6 . . ?
Na1 C8 H8B 132.2 4_566 . ?
H8A C8 H8B 108.7 . . ?
C8 O8 Al3 114.99(10) . . ?
C8 O8 Al1 138.76(10) . . ?
Al3 O8 Al1 103.00(6) . . ?
C8 O8 Na1 96.23(9) . 4_566 ?
Al3 O8 Na1 87.67(5) . 4_566 ?
Al1 O8 Na1 100.93(5) . 4_566 ?
O14 Al3 O6 112.92(6) . . ?
O14 Al3 O7 97.58(6) . . ?
O6 Al3 O7 95.68(6) . . ?
O14 Al3 O8 103.44(6) . . ?
O6 Al3 O8 143.02(6) . . ?
O7 Al3 O8 85.73(6) . . ?
O14 Al3 O5 103.35(6) . . ?
O6 Al3 O5 87.60(6) . . ?
O7 Al3 O5 155.63(6) . . ?
O8 Al3 O5 77.45(5) . . ?
O14 Al3 Al1 108.32(5) . . ?
O6 Al3 Al1 118.15(5) . . ?
O7 Al3 Al1 122.28(4) . . ?
O8 Al3 Al1 39.00(4) . . ?
O5 Al3 Al1 38.47(4) . . ?
O14 Al3 Na2 101.81(5) . . ?
O6 Al3 Na2 47.59(4) . . ?
O7 Al3 Na2 50.14(4) . . ?
O8 Al3 Na2 131.42(5) . . ?
O5 Al3 Na2 134.52(5) . . ?
Al1 Al3 Na2 149.83(2) . . ?
O14 Al3 Na1 47.55(4) . 4_566 ?
O6 Al3 Na1 159.07(5) . 4_566 ?
O7 Al3 Na1 94.80(5) . 4_566 ?
O8 Al3 Na1 55.93(4) . 4_566 ?
O5 Al3 Na1 90.29(4) . 4_566 ?
Al1 Al3 Na1 70.20(2) . 4_566 ?
Na2 Al3 Na1 133.95(3) . 4_566 ?
O14 Al3 Na2 47.38(4) . 3_567 ?
O6 Al3 Na2 109.92(5) . 3_567 ?
O7 Al3 Na2 50.28(4) . 3_567 ?
O8 Al3 Na2 99.31(4) . 3_567 ?
O5 Al3 Na2 149.58(5) . 3_567 ?
Al1 Al3 Na2 131.92(2) . 3_567 ?
Na2 Al3 Na2 69.80(2) . 3_567 ?
Na1 Al3 Na2 64.34(2) 4_566 3_567 ?
C9 O9 Al4 115.59(11) . . ?
C9 O9 Al1 134.03(11) . . ?
Al4 O9 Al1 103.42(6) . . ?
C9 O9 Na1 99.19(10) . 4_566 ?
Al4 O9 Na1 90.71(5) . 4_566 ?
Al1 O9 Na1 103.86(6) . 4_566 ?
O9 C9 C10 107.90(15) . . ?
O9 C9 Na1 53.81(8) . 4_566 ?
C10 C9 Na1 106.59(14) . 4_566 ?
O9 C9 H9A 110.1 . . ?
C10 C9 H9A 110.1 . . ?
Na1 C9 H9A 60.2 4_566 . ?
O9 C9 H9B 110.1 . . ?
C10 C9 H9B 110.1 . . ?
Na1 C9 H9B 143.1 4_566 . ?
H9A C9 H9B 108.4 . . ?
O10 C10 C9 113.79(16) . . ?
O10 C10 H10A 108.8 . . ?
C9 C10 H10A 108.8 . . ?
O10 C10 H10B 108.8 . . ?
C9 C10 H10B 108.8 . . ?
H10A C10 H10B 107.7 . . ?
C10 O10 Al4 116.24(12) . . ?
C10 O10 Na3 135.84(15) . . ?
Al4 O10 Na3 96.44(6) . . ?
C10 O10 Na3 109.91(15) . 3_657 ?
Al4 O10 Na3 88.82(7) . 3_657 ?
Na3 O10 Na3 98.99(6) . 3_657 ?
O11 Na3 O10 68.87(5) . . ?
O11 Na3 O13 115.66(6) . 2_646 ?
O10 Na3 O13 114.43(6) . 2_646 ?
O11 Na3 O15 156.58(6) . 3_657 ?
O10 Na3 O15 96.84(5) . 3_657 ?
O13 Na3 O15 86.87(5) 2_646 3_657 ?
O11 Na3 O2 107.79(5) . 2_646 ?
O10 Na3 O2 176.62(6) . 2_646 ?
O13 Na3 O2 67.23(5) 2_646 2_646 ?
O15 Na3 O2 86.14(5) 3_657 2_646 ?
O11 Na3 C13A 131.5(5) . 2_646 ?
O10 Na3 C13A 91.9(5) . 2_646 ?
O13 Na3 C13A 32.9(3) 2_646 2_646 ?
O15 Na3 C13A 64.9(5) 3_657 2_646 ?
O2 Na3 C13A 90.8(4) 2_646 2_646 ?
O11 Na3 O10 94.11(5) . 3_657 ?
O10 Na3 O10 81.01(6) . 3_657 ?
O13 Na3 O10 149.57(5) 2_646 3_657 ?
O15 Na3 O10 64.59(5) 3_657 3_657 ?
O2 Na3 O10 98.90(5) 2_646 3_657 ?
C13A Na3 O10 127.5(4) 2_646 3_657 ?
O11 Na3 C15A 158.3(5) . 3_657 ?
O10 Na3 C15A 92.9(6) . 3_657 ?
O13 Na3 C15A 60.1(5) 2_646 3_657 ?
O15 Na3 C15A 31.4(4) 3_657 3_657 ?
O2 Na3 C15A 90.4(5) 2_646 3_657 ?
C13A Na3 C15A 33.6(6) 2_646 3_657 ?
O10 Na3 C15A 94.5(5) 3_657 3_657 ?
O11 Na3 Al4 34.37(3) . . ?
O10 Na3 Al4 35.06(4) . . ?
O13 Na3 Al4 125.56(5) 2_646 . ?
O15 Na3 Al4 127.16(4) 3_657 . ?
O2 Na3 Al4 141.56(4) 2_646 . ?
C13A Na3 Al4 118.8(5) 2_646 . ?
O10 Na3 Al4 82.55(4) 3_657 . ?
C15A Na3 Al4 127.9(5) 3_657 . ?
O11 Na3 Al2 116.80(4) . 2_646 ?
O10 Na3 Al2 147.02(5) . 2_646 ?
O13 Na3 Al2 32.64(3) 2_646 2_646 ?
O15 Na3 Al2 85.45(4) 3_657 2_646 ?
O2 Na3 Al2 34.60(3) 2_646 2_646 ?
C13A Na3 Al2 59.2(4) 2_646 2_646 ?
O10 Na3 Al2 128.20(4) 3_657 2_646 ?
C15A Na3 Al2 72.1(6) 3_657 2_646 ?
Al4 Na3 Al2 145.05(3) . 2_646 ?
O11 Na3 Al4 125.99(5) . 3_657 ?
O10 Na3 Al4 85.96(5) . 3_657 ?
O13 Na3 Al4 118.23(4) 2_646 3_657 ?
O15 Na3 Al4 31.48(3) 3_657 3_657 ?
O2 Na3 Al4 95.83(4) 2_646 3_657 ?
C13A Na3 Al4 94.6(4) 2_646 3_657 ?
O10 Na3 Al4 33.37(3) 3_657 3_657 ?
C15A Na3 Al4 61.2(4) 3_657 3_657 ?
Al4 Na3 Al4 104.77(2) . 3_657 ?
Al2 Na3 Al4 110.19(3) 2_646 3_657 ?
O11 Na3 Na1 143.48(5) . 2_646 ?
O10 Na3 Na1 139.72(5) . 2_646 ?
O13 Na3 Na1 77.23(4) 2_646 2_646 ?
O15 Na3 Na1 43.63(4) 3_657 2_646 ?
O2 Na3 Na1 42.99(3) 2_646 2_646 ?
C13A Na3 Na1 78.6(6) 2_646 2_646 ?
O10 Na3 Na1 74.76(4) 3_657 2_646 ?
C15A Na3 Na1 58.2(5) 3_657 2_646 ?
Al4 Na3 Na1 157.13(3) . 2_646 ?
Al2 Na3 Na1 55.37(2) 2_646 2_646 ?
Al4 Na3 Na1 56.484(19) 3_657 2_646 ?
C11 O11 Al4 112.95(11) . . ?
C11 O11 Na3 147.97(11) . . ?
Al4 O11 Na3 98.93(6) . . ?
O11 C11 C12 108.88(14) . . ?
O11 C11 H11A 109.9 . . ?
C12 C11 H11A 109.9 . . ?
O11 C11 H11B 109.9 . . ?
C12 C11 H11B 109.9 . . ?
H11A C11 H11B 108.3 . . ?
O12 C12 C11 107.21(14) . . ?
O12 C12 H12A 110.3 . . ?
C11 C12 H12A 110.3 . . ?
O12 C12 H12B 110.3 . . ?
C11 C12 H12B 110.3 . . ?
H12A C12 H12B 108.5 . . ?
C12 O12 Al1 131.55(11) . . ?
C12 O12 Al4 111.61(10) . . ?
Al1 O12 Al4 101.24(6) . . ?
O15 Al4 O11 114.21(7) . . ?
O15 Al4 O10 101.65(7) . . ?
O11 Al4 O10 94.33(7) . . ?
O15 Al4 O9 99.97(6) . . ?
O11 Al4 O9 144.92(7) . . ?
O10 Al4 O9 85.98(6) . . ?
O15 Al4 O12 102.13(6) . . ?
O11 Al4 O12 87.09(6) . . ?
O10 Al4 O12 153.18(7) . . ?
O9 Al4 O12 77.87(5) . . ?
O15 Al4 Al1 105.66(5) . . ?
O11 Al4 Al1 118.89(5) . . ?
O10 Al4 Al1 121.08(5) . . ?
O9 Al4 Al1 38.71(4) . . ?
O12 Al4 Al1 39.20(4) . . ?
O15 Al4 Na3 109.60(5) . . ?
O11 Al4 Na3 46.71(4) . . ?
O10 Al4 Na3 48.50(5) . . ?
O9 Al4 Na3 128.97(5) . . ?
O12 Al4 Na3 131.41(4) . . ?
Al1 Al4 Na3 144.62(3) . . ?
O15 Al4 Na1 46.86(4) . 4_566 ?
O11 Al4 Na1 160.40(6) . 4_566 ?
O10 Al4 Na1 95.03(5) . 4_566 ?
O9 Al4 Na1 53.14(4) . 4_566 ?
O12 Al4 Na1 92.24(4) . 4_566 ?
Al1 Al4 Na1 69.92(2) . 4_566 ?
Na3 Al4 Na1 136.24(3) . 4_566 ?
O15 Al4 Na3 44.36(5) . 3_657 ?
O11 Al4 Na3 108.16(5) . 3_657 ?
O10 Al4 Na3 57.80(6) . 3_657 ?
O9 Al4 Na3 101.61(4) . 3_657 ?
O12 Al4 Na3 146.33(5) . 3_657 ?
Al1 Al4 Na3 132.49(2) . 3_657 ?
Na3 Al4 Na3 75.23(2) . 3_657 ?
Na1 Al4 Na3 63.32(2) 4_566 3_657 ?
C13 O13 C13A 59.8(8) . . ?
C13 O13 Al2 131.25(14) . . ?
C13A O13 Al2 132.6(10) . . ?
C13 O13 Na3 127.71(13) . 2_656 ?
C13A O13 Na3 82.7(8) . 2_656 ?
Al2 O13 Na3 100.75(6) . 2_656 ?
O13 C13 H13A 109.5 . . ?
O13 C13 H13B 109.5 . . ?
O13 C13 H13C 109.5 . . ?
O13 C13A H13D 109.5 . . ?
O13 C13A H13E 109.5 . . ?
H13D C13A H13E 109.5 . . ?
O13 C13A H13F 109.5 . . ?
H13D C13A H13F 109.5 . . ?
H13E C13A H13F 109.5 . . ?
C16 O16 H16 109.5 . . ?
C14 O14 Al3 122.52(12) . . ?
C14 O14 Na1 120.84(12) . 4_566 ?
Al3 O14 Na1 98.26(6) . 4_566 ?
C14 O14 Na2 118.89(11) . 3_567 ?
Al3 O14 Na2 98.54(6) . 3_567 ?
Na1 O14 Na2 91.26(5) 4_566 3_567 ?
O14 C14 H14A 109.5 . . ?
O14 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
O14 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C15 O15 C15A 30.8(11) . . ?
C15 O15 Al4 120.90(16) . . ?
C15A O15 Al4 151.2(12) . . ?
C15 O15 Na1 123.22(13) . 4_566 ?
C15A O15 Na1 104.5(11) . 4_566 ?
Al4 O15 Na1 99.59(6) . 4_566 ?
C15 O15 Na3 112.06(13) . 3_657 ?
C15A O15 Na3 90.6(11) . 3_657 ?
Al4 O15 Na3 104.15(6) . 3_657 ?
Na1 O15 Na3 91.95(5) 4_566 3_657 ?
O15 C15 H15A 109.5 . . ?
O15 C15 H15B 109.5 . . ?
O15 C15 H15C 109.5 . . ?
O15 C15A H15D 109.5 . . ?
O15 C15A H15E 109.5 . . ?
H15D C15A H15E 109.5 . . ?
O15 C15A H15F 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        30.99
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.521
_refine_diff_density_min         -0.438
_refine_diff_density_rms         0.074
_database_code_depnum_ccdc_archive 'CCDC 955650'
