#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:32:09 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180341 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/10/7201038.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7201038
loop_
_publ_author_name
'Lennartson, Anders'
'Håkansson, Mikael'
_publ_section_title
;
 Total spontaneous resolution of nine-coordinate complexes
;
_journal_issue                   9
_journal_name_full               CrystEngComm
_journal_page_first              1979
_journal_paper_doi               10.1039/b903554k
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety         'C12 H12 Gd Na3 O15, 8(H2 O)'
_chemical_formula_sum            'C12 H28 Gd Na3 O23'
_chemical_formula_weight         766.57
_chemical_name_common
'Trisodium tris(2,2?-oxydiacetato)-gadolinium(iii) hexaahydrate'
_chemical_name_systematic
;Trisodium tris(2,2?-oxydiacetato)-gadolinium(III)
hexaahydrate
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.483(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.535(4)
_cell_length_b                   8.4677(16)
_cell_length_c                   19.207(4)
_cell_measurement_reflns_used    7088
_cell_measurement_temperature    289(2)
_cell_measurement_theta_max      24.99
_cell_measurement_theta_min      4.24
_cell_volume                     2653.7(10)
_computing_cell_refinement       'CrystalClear(Rigaku, 2000)'
_computing_data_collection       'CrystalClear(Rigaku, 2000)'
_computing_data_reduction        'CrystalClear(Rigaku, 2000)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and PLUTON (Spek, 1990)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SIR92 (Altomare et al., 1993)'
_computing_structure_solution    'CrystalClear(Rigaku, 2000)'
_diffrn_ambient_temperature      289(2)
_diffrn_detector_area_resol_mean 105
_diffrn_measured_fraction_theta_full 0.916
_diffrn_measured_fraction_theta_max 0.916
_diffrn_measurement_device_type  'Rigaku R-AXIS IIC image-plate system'
_diffrn_measurement_method       φ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_sigmaI/netI    0.0394
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            7088
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         4.24
_diffrn_source                   'rotating anode'
_diffrn_source_type              RU-H3R
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.644
_exptl_absorpt_correction_T_max  0.7670
_exptl_absorpt_correction_T_min  0.4758
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.878
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1460
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.466
_refine_diff_density_min         -0.681
_refine_diff_density_rms         0.072
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.315(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.905
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         3974
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.905
_refine_ls_R_factor_all          0.0217
_refine_ls_R_factor_gt           0.0206
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0401P)²+2.0052P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0542
_refine_ls_wR_factor_ref         0.0546
_reflns_number_gt                3871
_reflns_number_total             3974
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b903554k.txt
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7201038
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
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
O16 O 0.6882(5) 0.5328(6) 0.7531(4) 0.0717(18) Uani 1 1 d . . .
O17 O 0.7746(3) 0.7192(6) 0.9300(3) 0.0421(12) Uani 1 1 d . . .
O18 O 0.5553(4) 0.4264(6) 0.8344(3) 0.0360(12) Uani 1 1 d . . .
O19 O 0.4893(4) 1.1064(7) 0.9222(3) 0.0462(13) Uani 1 1 d . . .
O20 O 0.6583(3) 1.1593(6) 0.8879(3) 0.0399(12) Uani 1 1 d . . .
O21 O 0.3766(3) 1.6401(7) 0.3603(3) 0.0447(13) Uani 1 1 d . . .
O22 O 0.7730(3) 1.2505(8) 0.8208(3) 0.0551(15) Uani 1 1 d . . .
O23 O 0.3945(4) 1.0035(7) 0.5012(3) 0.0609(13) Uani 1 1 d . . .
Na3 Na 0.4862(2) 1.4349(3) 0.4059(2) 0.0241(7) Uani 1 1 d . . .
C1 C 0.8747(4) 0.8961(9) 0.5139(4) 0.0223(11) Uani 1 1 d . . .
C2 C 0.9269(6) 1.0296(9) 0.5606(6) 0.0302(18) Uani 1 1 d . . .
H2A H 0.9811 0.9903 0.5902 0.036 Uiso 1 1 calc R . .
H2B H 0.9327 1.1123 0.5280 0.036 Uiso 1 1 calc R . .
C3 C 0.9445(4) 1.1701(7) 0.6723(3) 0.0250(14) Uani 1 1 d . . .
H3A H 0.9573 1.2737 0.6579 0.030 Uiso 1 1 calc R . .
H3B H 0.9951 1.1102 0.6921 0.030 Uiso 1 1 calc R . .
C4 C 0.9072(4) 1.1869(7) 0.7319(4) 0.0204(14) Uani 1 1 d . . .
C5 C 0.9111(4) 0.6870(9) 0.7100(4) 0.0244(14) Uani 1 1 d . . .
C6 C 0.8456(6) 0.5719(8) 0.6624(6) 0.034(2) Uani 1 1 d . . .
H6A H 0.8628 0.5247 0.6245 0.041 Uiso 1 1 calc R . .
H6B H 0.8382 0.4880 0.6937 0.041 Uiso 1 1 calc R . .
C7 C 0.7078(7) 0.5595(7) 0.5776(6) 0.037(2) Uani 1 1 d . . .
H7A H 0.6925 0.4762 0.6046 0.045 Uiso 1 1 calc R . .
H7B H 0.7264 0.5110 0.5408 0.045 Uiso 1 1 calc R . .
C8 C 0.6357(5) 0.6624(8) 0.5393(4) 0.0273(16) Uani 1 1 d . . .
C9 C 0.6368(4) 1.1864(7) 0.5038(4) 0.0187(13) Uani 1 1 d . . .
C10 C 0.5952(4) 1.1778(7) 0.5602(3) 0.0204(12) Uani 1 1 d . . .
H10A H 0.5829 1.2835 0.5725 0.024 Uiso 1 1 calc R . .
H10B H 0.5441 1.1200 0.5390 0.024 Uiso 1 1 calc R . .
C11 C 0.6098(6) 1.0553(7) 0.6750(6) 0.030(2) Uani 1 1 d . . .
H11A H 0.5548 1.0191 0.6460 0.036 Uiso 1 1 calc R . .
H11B H 0.6052 1.1466 0.7038 0.036 Uiso 1 1 calc R . .
C12 C 0.6556(4) 0.9252(7) 0.7284(4) 0.0190(15) Uani 1 1 d . . .
Gd1 Gd 0.76805(3) 0.947136(15) 0.62250(3) 0.01385(7) Uani 1 1 d . . .
O1 O 0.8111(3) 0.8548(5) 0.5250(3) 0.0279(11) Uani 1 1 d . . .
O2 O 0.8888(3) 1.0919(6) 0.6090(3) 0.0223(9) Uani 1 1 d . . .
O3 O 0.8327(3) 1.1482(5) 0.7135(2) 0.0232(9) Uani 1 1 d . . .
O4 O 0.9001(3) 0.8350(5) 0.4670(3) 0.0301(10) Uani 1 1 d . . .
O5 O 0.9519(3) 1.2419(6) 0.7939(2) 0.0322(10) Uani 1 1 d . . .
O6 O 0.8909(3) 0.8303(5) 0.7046(3) 0.0269(10) Uani 1 1 d . . .
O7 O 0.7721(4) 0.6527(3) 0.6284(4) 0.0253(7) Uani 1 1 d . . .
O8 O 0.6458(3) 0.8109(5) 0.5452(3) 0.0306(11) Uani 1 1 d . . .
O9 O 0.9794(3) 0.6355(6) 0.7486(3) 0.0381(11) Uani 1 1 d . . .
O10 O 0.5717(3) 0.5960(7) 0.5020(3) 0.0411(12) Uani 1 1 d . . .
O11 O 0.7093(3) 1.1333(5) 0.5238(2) 0.0261(10) Uani 1 1 d . . .
O12 O 0.6483(3) 1.0994(7) 0.6268(2) 0.0206(8) Uani 1 1 d . . .
O13 O 0.7204(3) 0.8754(6) 0.7197(3) 0.0246(10) Uani 1 1 d . . .
O14 O 0.5977(2) 1.2424(5) 0.4412(2) 0.0232(8) Uani 1 1 d . . .
O15 O 0.6285(3) 0.8763(5) 0.7740(3) 0.0351(11) Uani 1 1 d . . .
Na2 Na 0.5458(3) 0.9641(3) 0.8417(2) 0.0263(7) Uani 1 1 d . . .
Na1 Na 0.64274(13) 0.6440(2) 0.84212(10) 0.0361(4) Uani 1 1 d . . .
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'
Gd Gd -0.1653 3.9035 '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'
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'
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
Na1 O18 Na3 91.93(19) . 2_575 ?
O10 Na3 O4 99.1(2) 1_565 3_455 ?
O10 Na3 O14 87.3(2) 1_565 . ?
O4 Na3 O14 102.32(18) 3_455 . ?
O10 Na3 O18 81.7(2) 1_565 2_574 ?
O4 Na3 O18 169.6(2) 3_455 2_574 ?
O14 Na3 O18 88.0(2) . 2_574 ?
O10 Na3 O21 93.4(2) 1_565 . ?
O4 Na3 O21 82.8(2) 3_455 . ?
O14 Na3 O21 174.6(3) . . ?
O18 Na3 O21 86.8(2) 2_574 . ?
O10 Na3 O5 155.1(2) 1_565 4_474 ?
O4 Na3 O5 102.4(2) 3_455 4_474 ?
O14 Na3 O5 75.87(15) . 4_474 ?
O18 Na3 O5 79.4(2) 2_574 4_474 ?
O21 Na3 O5 101.6(2) . 4_474 ?
O10 Na3 Na1 91.67(18) 1_565 2_574 ?
O4 Na3 Na1 146.62(15) 3_455 2_574 ?
O14 Na3 Na1 46.41(12) . 2_574 ?
O18 Na3 Na1 43.19(14) 2_574 2_574 ?
O21 Na3 Na1 128.2(2) . 2_574 ?
O5 Na3 Na1 63.41(13) 4_474 2_574 ?
O10 Na3 Na2 126.14(16) 1_565 2_574 ?
O4 Na3 Na2 98.08(13) 3_455 2_574 ?
O14 Na3 Na2 39.08(14) . 2_574 ?
O18 Na3 Na2 89.59(14) 2_574 2_574 ?
O21 Na3 Na2 139.27(18) . 2_574 ?
O5 Na3 Na2 38.09(12) 4_474 2_574 ?
Na1 Na3 Na2 51.38(5) 2_574 2_574 ?
O4 C1 O1 125.2(6) . . ?
O4 C1 C2 115.8(6) . . ?
O1 C1 C2 119.0(6) . . ?
O2 C2 C1 109.6(7) . . ?
O2 C3 C4 109.8(5) . . ?
O5 C4 O3 125.8(6) . . ?
O5 C4 C3 117.4(6) . . ?
O3 C4 C3 116.8(6) . . ?
O9 C5 O6 124.9(7) . . ?
O9 C5 C6 119.0(7) . . ?
O6 C5 C6 116.0(6) . . ?
O7 C6 C5 109.3(5) . . ?
O7 C7 C8 109.2(5) . . ?
O10 C8 O8 125.1(7) . . ?
O10 C8 C7 116.8(6) . . ?
O8 C8 C7 118.1(7) . . ?
O14 C9 O11 124.4(6) . . ?
O14 C9 C10 118.2(6) . . ?
O11 C9 C10 117.4(6) . . ?
O12 C10 C9 109.5(5) . . ?
O12 C11 C12 112.4(6) . . ?
O15 C12 O13 125.7(6) . . ?
O15 C12 C11 119.0(6) . . ?
O13 C12 C11 115.3(6) . . ?
O6 Gd1 O13 82.32(17) . . ?
O6 Gd1 O11 145.68(17) . . ?
O13 Gd1 O11 128.03(15) . . ?
O6 Gd1 O1 85.05(18) . . ?
O13 Gd1 O1 146.16(11) . . ?
O11 Gd1 O1 76.26(16) . . ?
O6 Gd1 O3 74.96(15) . . ?
O13 Gd1 O3 79.54(17) . . ?
O11 Gd1 O3 93.50(11) . . ?
O1 Gd1 O3 126.86(15) . . ?
O6 Gd1 O8 126.66(11) . . ?
O13 Gd1 O8 82.71(17) . . ?
O11 Gd1 O8 78.41(16) . . ?
O1 Gd1 O8 79.97(17) . . ?
O3 Gd1 O8 149.68(16) . . ?
O6 Gd1 O7 63.17(17) . . ?
O13 Gd1 O7 73.91(19) . . ?
O11 Gd1 O7 133.79(18) . . ?
O1 Gd1 O7 72.36(18) . . ?
O3 Gd1 O7 132.53(17) . . ?
O8 Gd1 O7 63.50(18) . . ?
O6 Gd1 O12 139.95(16) . . ?
O13 Gd1 O12 64.20(14) . . ?
O11 Gd1 O12 63.99(14) . . ?
O1 Gd1 O12 134.99(16) . . ?
O3 Gd1 O12 77.76(16) . . ?
O8 Gd1 O12 72.42(17) . . ?
O7 Gd1 O12 121.76(19) . . ?
O6 Gd1 O2 71.42(17) . . ?
O13 Gd1 O2 138.28(17) . . ?
O11 Gd1 O2 74.54(16) . . ?
O1 Gd1 O2 64.13(15) . . ?
O3 Gd1 O2 62.89(15) . . ?
O8 Gd1 O2 139.01(16) . . ?
O7 Gd1 O2 118.39(18) . . ?
O12 Gd1 O2 119.84(9) . . ?
C1 O1 Gd1 126.5(4) . . ?
C3 O2 C2 113.0(6) . . ?
C3 O2 Gd1 118.5(4) . . ?
C2 O2 Gd1 119.6(4) . . ?
C4 O3 Gd1 123.4(4) . . ?
C1 O4 Na3 131.6(4) . 3_545 ?
C4 O5 Na2 138.1(4) . 3 ?
C4 O5 Na3 117.7(4) . 4_575 ?
Na2 O5 Na3 102.7(2) 3 4_575 ?
C5 O6 Gd1 128.1(4) . . ?
C6 O7 C7 114.4(4) . . ?
C6 O7 Gd1 121.2(4) . . ?
C7 O7 Gd1 121.2(4) . . ?
C8 O8 Gd1 126.4(5) . . ?
C5 O9 Na2 143.7(5) . 3_545 ?
C8 O10 Na3 156.0(5) . 1_545 ?
C9 O11 Gd1 124.5(4) . . ?
C11 O12 C10 113.8(6) . . ?
C11 O12 Gd1 120.5(4) . . ?
C10 O12 Gd1 119.2(3) . . ?
C12 O13 Gd1 126.9(4) . . ?
C9 O14 Na3 128.8(4) . . ?
C9 O14 Na1 131.9(4) . 2_574 ?
Na3 O14 Na1 88.62(16) . 2_574 ?
C9 O14 Na2 113.0(4) . 2_574 ?
Na3 O14 Na2 102.9(2) . 2_574 ?
Na1 O14 Na2 79.38(16) 2_574 2_574 ?
C12 O15 Na1 134.9(4) . . ?
C12 O15 Na2 139.7(4) . . ?
Na1 O15 Na2 85.32(16) . . ?
O9 Na2 O15 90.5(2) 3_455 . ?
O9 Na2 O19 88.5(2) 3_455 . ?
O15 Na2 O19 164.9(3) . . ?
O9 Na2 O5 96.6(2) 3_455 3_445 ?
O15 Na2 O5 90.91(19) . 3_445 ?
O19 Na2 O5 104.1(2) . 3_445 ?
O9 Na2 O20 88.1(2) 3_455 . ?
O15 Na2 O20 80.8(2) . . ?
O19 Na2 O20 84.2(2) . . ?
O5 Na2 O20 170.5(2) 3_445 . ?
O9 Na2 O14 171.2(3) 3_455 2_575 ?
O15 Na2 O14 94.29(18) . 2_575 ?
O19 Na2 O14 88.8(2) . 2_575 ?
O5 Na2 O14 75.89(16) 3_445 2_575 ?
O20 Na2 O14 100.0(2) . 2_575 ?
O9 Na2 Na1 131.6(2) 3_455 . ?
O15 Na2 Na1 46.44(12) . . ?
O19 Na2 Na1 139.2(2) . . ?
O5 Na2 Na1 68.49(13) 3_445 . ?
O20 Na2 Na1 102.23(19) . . ?
O14 Na2 Na1 50.33(11) 2_575 . ?
O9 Na2 Na3 133.64(17) 3_455 2_575 ?
O15 Na2 Na3 100.98(14) . 2_575 ?
O19 Na2 Na3 90.55(18) . 2_575 ?
O5 Na2 Na3 39.21(15) 3_445 2_575 ?
O20 Na2 Na3 137.87(16) . 2_575 ?
O14 Na2 Na3 37.99(13) 2_575 2_575 ?
Na1 Na2 Na3 57.63(9) . 2_575 ?
O15 Na1 O16 85.65(19) . . ?
O15 Na1 O18 133.6(2) . . ?
O16 Na1 O18 91.6(2) . . ?
O15 Na1 O17 92.8(2) . . ?
O16 Na1 O17 97.0(3) . . ?
O18 Na1 O17 133.4(2) . . ?
O15 Na1 O14 95.96(16) . 2_575 ?
O16 Na1 O14 177.9(2) . 2_575 ?
O18 Na1 O14 88.26(16) . 2_575 ?
O17 Na1 O14 81.63(17) . 2_575 ?
O15 Na1 Na2 48.24(13) . . ?
O16 Na1 Na2 131.62(19) . . ?
O18 Na1 Na2 109.15(17) . . ?
O17 Na1 Na2 98.73(15) . . ?
O14 Na1 Na2 50.29(13) 2_575 . ?
O15 Na1 Na3 115.31(14) . 2_575 ?
O16 Na1 Na3 135.29(19) . 2_575 ?
O18 Na1 Na3 44.88(14) . 2_575 ?
O17 Na1 Na3 119.25(16) . 2_575 ?
O14 Na1 Na3 44.97(11) 2_575 2_575 ?
Na2 Na1 Na3 70.99(10) . 2_575 ?
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
O16 Na1 2.334(5) . ?
O17 Na1 2.397(6) . ?
O18 Na1 2.367(6) . ?
O19 Na2 2.439(6) . ?
O20 Na2 2.476(7) . ?
O21 Na3 2.500(7) . ?
Na3 O14 2.443(5) . ?
C1 O4 1.255(8) . ?
C1 O1 1.259(8) . ?
C1 C2 1.522(11) . ?
C2 O2 1.428(10) . ?
C3 O2 1.415(8) . ?
C3 C4 1.520(9) . ?
C4 O5 1.250(8) . ?
C4 O3 1.265(8) . ?
C5 O9 1.233(9) . ?
C5 O6 1.258(8) . ?
C5 C6 1.528(12) . ?
C6 O7 1.392(10) . ?
C7 O7 1.429(11) . ?
C7 C8 1.489(12) . ?
C8 O10 1.224(9) . ?
C8 O8 1.269(8) . ?
C9 O14 1.240(8) . ?
C9 O11 1.268(8) . ?
C9 C10 1.512(9) . ?
C10 O12 1.440(7) . ?
C11 O12 1.383(10) . ?
C11 C12 1.519(9) . ?
C12 O15 1.212(8) . ?
C12 O13 1.278(8) . ?
Gd1 O6 2.370(5) . ?
Gd1 O13 2.387(4) . ?
Gd1 O11 2.390(4) . ?
Gd1 O1 2.393(4) . ?
Gd1 O3 2.406(4) . ?
Gd1 O8 2.409(5) . ?
Gd1 O7 2.496(3) . ?
Gd1 O12 2.491(5) . ?
Gd1 O2 2.541(5) . ?
O15 Na1 2.325(4) . ?
O15 Na2 2.393(6) . ?
