#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:51:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179993 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/87/7028772.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_7028772
loop_
_publ_author_name
'Hu, Ying'
'An, Haiyan'
'Liu, Xuan'
'Yin, Jiqiu'
'Wang, Huilong'
'Zhang, Hua'
'Wang, Lin'
_publ_section_title
;
 pH-controlled assembly of hybrid architectures based on Anderson-type
 polyoxometalates and silver coordination units.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2488
_journal_page_last               2498
_journal_paper_doi               10.1039/c3dt52987h
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C32 H49 Ag2 Al Mo6 N4 Na2 O40'
_chemical_formula_weight         1994.09
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.6530(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.8882(2)
_cell_length_b                   24.4954(5)
_cell_length_c                   12.1347(2)
_cell_measurement_reflns_used    19102
_cell_measurement_temperature    220
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.90
_cell_volume                     2878.63(10)
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      220
_diffrn_detector_area_resol_mean 0.01
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_av_unetI/netI     0.0221
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19102
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.90
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.068
_exptl_absorpt_correction_T_max  0.848
_exptl_absorpt_correction_T_min  0.780
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'ABSCOR by T.Higashi 8 March, 1995'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.301
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'triangular block'
_exptl_crystal_F_000             1940
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.473
_refine_diff_density_min         -1.495
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     468
_refine_ls_number_reflns         5064
_refine_ls_number_restraints     79
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0354
_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)+(0.0403P)²+14.5822P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0926
_refine_ls_wR_factor_ref         0.0939
_reflns_number_gt                4827
_reflns_number_total             5064
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52987h.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7028772
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'
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
Mo1 Mo 1.11553(4) 0.100867(17) 0.36331(4) 0.02471(12) Uani 1 1 d . . .
Mo2 Mo 0.87625(5) 0.016487(17) 0.22759(3) 0.02513(12) Uani 1 1 d . . .
Mo3 Mo 0.76202(4) -0.085087(17) 0.36678(4) 0.02490(12) Uani 1 1 d . . .
Ag1 Ag 0.81273(5) -0.26057(2) 0.72124(4) 0.04008(14) Uani 1 1 d . A .
Al1 Al 1.0000 0.0000 0.5000 0.0169(4) Uani 1 2 d S . .
O1 O 1.1706(3) 0.02798(13) 0.4817(3) 0.0211(7) Uani 1 1 d . . .
O2 O 0.9217(3) 0.05748(13) 0.4022(3) 0.0213(7) Uani 1 1 d . . .
O3 O 0.9709(3) -0.04384(13) 0.3658(3) 0.0214(7) Uani 1 1 d . . .
O4 O 1.1298(4) 0.12753(13) 0.5138(3) 0.0277(7) Uani 1 1 d . . .
O5 O 1.0612(4) 0.04342(14) 0.2521(3) 0.0277(7) Uani 1 1 d . . .
O6 O 0.7285(4) -0.01705(14) 0.2852(3) 0.0274(7) Uani 1 1 d . . .
O7 O 1.2819(4) 0.10872(16) 0.3471(3) 0.0357(9) Uani 1 1 d . B .
O8 O 1.0266(4) 0.15487(15) 0.2947(3) 0.0352(8) Uani 1 1 d . . .
O9 O 0.7844(4) 0.07306(15) 0.1714(3) 0.0323(8) Uani 1 1 d . . .
O10 O 0.8846(4) -0.02588(16) 0.1173(3) 0.0382(9) Uani 1 1 d . . .
O11 O 0.7703(4) -0.12992(16) 0.2602(3) 0.0385(9) Uani 1 1 d . . .
O12 O 0.6007(4) -0.09337(16) 0.3951(4) 0.0389(9) Uani 1 1 d . . .
O13 O 0.3168(5) -0.33381(17) 1.2475(4) 0.0466(11) Uani 1 1 d . . .
O14 O 0.3110(4) -0.37839(16) 1.0871(3) 0.0380(9) Uani 1 1 d . . .
O16 O 1.1750(5) -0.1072(2) 0.3066(4) 0.0468(11) Uani 1 1 d . . .
C1 C 0.3441(5) -0.3383(2) 1.1451(4) 0.0289(11) Uani 1 1 d . . .
C2 C 0.4166(5) -0.2912(2) 1.1110(4) 0.0295(11) Uani 1 1 d . . .
H2A H 0.4216 -0.2587 1.1514 0.035 Uiso 1 1 calc R . .
C3 C 0.4756(5) -0.2950(2) 1.0215(4) 0.0289(11) Uani 1 1 d . . .
H3A H 0.4678 -0.3285 0.9849 0.035 Uiso 1 1 calc R . .
C4 C 0.5515(5) -0.2524(2) 0.9741(4) 0.0282(11) Uani 1 1 d . . .
C5 C 0.6210(5) -0.2669(2) 0.8905(4) 0.0299(11) Uani 1 1 d . A .
H5A H 0.6179 -0.3033 0.8679 0.036 Uiso 1 1 calc R . .
C6 C 0.6931(6) -0.1793(2) 0.8713(5) 0.0398(13) Uani 1 1 d . A .
H6A H 0.7409 -0.1541 0.8364 0.048 Uiso 1 1 calc R . .
C7 C 0.6256(7) -0.1610(3) 0.9535(6) 0.0473(15) Uani 1 1 d . . .
H7A H 0.6284 -0.1243 0.9734 0.057 Uiso 1 1 calc R . .
C8 C 0.5540(6) -0.1979(2) 1.0053(5) 0.0387(13) Uani 1 1 d . . .
H8A H 0.5077 -0.1864 1.0607 0.046 Uiso 1 1 calc R . .
O15 O 1.2801(14) -0.1766(5) 0.2636(10) 0.045(3) Uani 0.60(2) 1 d P A 1
C9 C 1.1900(14) -0.1512(6) 0.3142(11) 0.033(3) Uani 0.60(2) 1 d PU A 1
C10 C 1.1130(12) -0.1864(6) 0.3807(9) 0.032(3) Uani 0.60(2) 1 d PU A 1
C11 C 1.1366(10) -0.2397(5) 0.3926(8) 0.031(3) Uani 0.60(2) 1 d PU A 1
O15A O 1.3251(17) -0.1654(6) 0.2253(14) 0.051(4) Uani 0.40(2) 1 d P A 2
C9A C 1.233(3) -0.1605(9) 0.2872(18) 0.028(5) Uani 0.40(2) 1 d PU A 2
C10A C 1.1886(15) -0.2115(6) 0.3350(11) 0.034(5) Uani 0.40(2) 1 d PU A 2
C11A C 1.1043(18) -0.2106(9) 0.4048(15) 0.028(4) Uani 0.40(2) 1 d PU A 2
C12 C 1.0687(7) -0.2694(3) 0.4641(5) 0.0499(17) Uani 1 1 d . . .
C13 C 0.9861(6) -0.2532(2) 0.5389(4) 0.0351(12) Uani 1 1 d . A .
H13A H 0.9683 -0.2162 0.5458 0.042 Uiso 1 1 calc R . .
C14 C 0.9566(7) -0.3420(3) 0.5903(5) 0.0438(14) Uani 1 1 d . A .
H14A H 0.9171 -0.3672 0.6317 0.053 Uiso 1 1 calc R . .
C15 C 1.0401(8) -0.3604(3) 0.5190(6) 0.059(2) Uani 1 1 d . . .
H15A H 1.0571 -0.3976 0.5143 0.071 Uiso 1 1 calc R A .
C16 C 1.0957(8) -0.3256(4) 0.4576(6) 0.064(2) Uani 1 1 d . A .
H16A H 1.1524 -0.3382 0.4105 0.076 Uiso 1 1 calc R . .
N1 N 0.9313(5) -0.28884(19) 0.6010(4) 0.0325(10) Uani 1 1 d . . .
N2 N 0.6929(5) -0.23162(19) 0.8398(4) 0.0326(10) Uani 1 1 d . . .
Na1 Na 1.4867(3) 0.06125(13) 0.4288(3) 0.0695(8) Uani 1 1 d D . .
OW1 O 1.4896(13) 0.0283(4) 0.2856(8) 0.062(3) Uani 0.50 1 d PDU B 3
OW2 O 1.4823(13) 0.0479(5) 0.2445(12) 0.061(3) Uani 0.50 1 d PU B 4
OW3 O 1.3546(14) -0.0331(6) 0.4067(9) 0.034(3) Uani 0.50 1 d P . 5
OW4 O 1.3841(15) -0.0278(6) 0.4583(13) 0.052(4) Uani 0.50 1 d P . 6
OW5 O 1.2313(12) -0.0007(5) 0.1130(10) 0.044(3) Uani 0.50 1 d PU . .
OW6 O 1.2412(14) 0.0281(6) 0.1091(12) 0.067(4) Uani 0.50 1 d PU . .
OW7 O 1.389(2) -0.0816(8) 0.1351(19) 0.106(6) Uani 0.50 1 d PU . .
OW8 O 1.409(2) -0.1064(8) 0.1639(15) 0.093(5) Uani 0.50 1 d PU . .
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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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
O7 Mo1 O8 105.64(18) . .
O7 Mo1 O4 100.64(17) . .
O8 Mo1 O4 97.56(16) . .
O7 Mo1 O5 97.97(17) . .
O8 Mo1 O5 100.33(17) . .
O4 Mo1 O5 149.58(14) . .
O7 Mo1 O1 92.74(15) . .
O8 Mo1 O1 160.73(15) . .
O4 Mo1 O1 72.86(12) . .
O5 Mo1 O1 82.44(13) . .
O7 Mo1 O2 158.36(15) . .
O8 Mo1 O2 95.10(15) . .
O4 Mo1 O2 82.35(13) . .
O5 Mo1 O2 71.76(12) . .
O1 Mo1 O2 67.45(11) . .
O10 Mo2 O9 106.49(18) . .
O10 Mo2 O5 97.78(17) . .
O9 Mo2 O5 101.30(17) . .
O10 Mo2 O6 100.69(18) . .
O9 Mo2 O6 96.24(16) . .
O5 Mo2 O6 149.68(14) . .
O10 Mo2 O3 96.00(15) . .
O9 Mo2 O3 156.27(14) . .
O5 Mo2 O3 82.64(13) . .
O6 Mo2 O3 71.73(13) . .
O10 Mo2 O2 162.38(16) . .
O9 Mo2 O2 90.16(14) . .
O5 Mo2 O2 72.76(12) . .
O6 Mo2 O2 82.74(13) . .
O3 Mo2 O2 68.45(11) . .
O12 Mo3 O11 105.36(19) . .
O12 Mo3 O4 100.60(18) . 3_756
O11 Mo3 O4 96.77(17) . 3_756
O12 Mo3 O6 97.76(17) . .
O11 Mo3 O6 101.29(17) . .
O4 Mo3 O6 149.76(15) 3_756 .
O12 Mo3 O1 92.45(16) . 3_756
O11 Mo3 O1 160.81(16) . 3_756
O4 Mo3 O1 72.50(13) 3_756 3_756
O6 Mo3 O1 82.94(13) . 3_756
O12 Mo3 O3 158.05(15) . .
O11 Mo3 O3 95.61(16) . .
O4 Mo3 O3 82.99(13) 3_756 .
O6 Mo3 O3 71.34(13) . .
O1 Mo3 O3 67.77(11) 3_756 .
N2 Ag1 N1 179.29(17) . .
O1 Al1 O1 180.00(18) 3_756 .
O1 Al1 O2 85.31(13) 3_756 3_756
O1 Al1 O2 94.69(13) . 3_756
O1 Al1 O2 94.69(13) 3_756 .
O1 Al1 O2 85.31(13) . .
O2 Al1 O2 180.00(16) 3_756 .
O1 Al1 O3 95.07(13) 3_756 3_756
O1 Al1 O3 84.93(13) . 3_756
O2 Al1 O3 85.00(13) 3_756 3_756
O2 Al1 O3 95.00(13) . 3_756
O1 Al1 O3 84.93(13) 3_756 .
O1 Al1 O3 95.07(13) . .
O2 Al1 O3 95.00(13) 3_756 .
O2 Al1 O3 85.00(13) . .
O3 Al1 O3 180.00(15) 3_756 .
Al1 O1 Mo1 104.71(14) . .
Al1 O1 Mo3 104.48(13) . 3_756
Mo1 O1 Mo3 91.21(11) . 3_756
Al1 O2 Mo2 103.30(13) . .
Al1 O2 Mo1 102.53(14) . .
Mo2 O2 Mo1 91.60(11) . .
Al1 O3 Mo2 103.24(13) . .
Al1 O3 Mo3 102.82(13) . .
Mo2 O3 Mo3 93.03(12) . .
Mo1 O4 Mo3 117.12(17) . 3_756
Mo2 O5 Mo1 118.60(17) . .
Mo2 O6 Mo3 119.31(17) . .
Mo1 O7 Na1 131.1(2) . .
Mo3 O12 Na1 127.7(2) . 3_756
C1 O14 Na1 113.2(4) . 2_746
C9 O16 C9A 23.1(9) . .
O14 C1 O13 121.8(5) . .
O14 C1 C2 124.4(5) . .
O13 C1 C2 113.8(4) . .
C3 C2 C1 119.7(5) . .
C2 C3 C4 127.6(5) . .
C5 C4 C8 117.7(5) . .
C5 C4 C3 118.2(5) . .
C8 C4 C3 124.0(5) . .
N2 C5 C4 123.8(5) . .
N2 C6 C7 123.0(5) . .
C8 C7 C6 119.0(6) . .
C7 C8 C4 119.4(5) . .
O16 C9 O15 121.0(13) . .
O16 C9 C10 122.8(14) . .
O15 C9 C10 116.2(14) . .
C11 C10 C9 122.0(11) . .
C10 C11 C12 118.7(10) . .
O15A C9A O16 121.2(13) . .
O15A C9A C10A 116(2) . .
O16 C9A C10A 122(2) . .
C11A C10A C9A 121.2(19) . .
C10A C11A C12 118.7(17) . .
C13 C12 C11 132.2(8) . .
C13 C12 C16 117.1(6) . .
C11 C12 C16 110.6(8) . .
C13 C12 C11A 103.7(9) . .
C11 C12 C11A 28.6(6) . .
C16 C12 C11A 139.2(9) . .
N1 C13 C12 122.6(6) . .
N1 C14 C15 121.7(6) . .
C16 C15 C14 120.6(7) . .
C15 C16 C12 119.6(6) . .
C14 N1 C13 118.4(5) . .
C14 N1 Ag1 121.0(4) . .
C13 N1 Ag1 120.5(4) . .
C6 N2 C5 117.1(5) . .
C6 N2 Ag1 122.4(4) . .
C5 N2 Ag1 120.4(4) . .
OW4 Na1 OW1 110.3(6) 3_856 .
OW4 Na1 OW2 122.6(5) 3_856 .
OW1 Na1 OW2 16.6(3) . .
OW4 Na1 O7 157.5(5) 3_856 .
OW1 Na1 O7 89.8(4) . .
OW2 Na1 O7 79.2(3) . .
OW4 Na1 OW3 10.7(6) 3_856 3_856
OW1 Na1 OW3 120.6(5) . 3_856
OW2 Na1 OW3 131.9(5) . 3_856
O7 Na1 OW3 148.9(4) . 3_856
OW4 Na1 OW4 75.2(6) 3_856 .
OW1 Na1 OW4 80.9(5) . .
OW2 Na1 OW4 95.2(5) . .
O7 Na1 OW4 98.8(4) . .
OW3 Na1 OW4 80.9(6) 3_856 .
OW4 Na1 O14 83.0(5) 3_856 2_756
OW1 Na1 O14 91.2(4) . 2_756
OW2 Na1 O14 82.3(4) . 2_756
O7 Na1 O14 107.68(17) . 2_756
OW3 Na1 O14 80.5(4) 3_856 2_756
OW4 Na1 O14 152.3(4) . 2_756
OW4 Na1 O12 79.6(4) 3_856 3_756
OW1 Na1 O12 160.8(4) . 3_756
OW2 Na1 O12 157.4(4) . 3_756
O7 Na1 O12 78.26(16) . 3_756
OW3 Na1 O12 70.6(3) 3_856 3_756
OW4 Na1 O12 86.2(3) . 3_756
O14 Na1 O12 106.69(17) 2_756 3_756
OW4 Na1 OW3 86.6(6) 3_856 .
OW1 Na1 OW3 68.8(4) . .
OW2 Na1 OW3 82.1(4) . .
O7 Na1 OW3 91.3(3) . .
OW3 Na1 OW3 93.5(4) 3_856 .
OW4 Na1 OW3 14.0(4) . .
O14 Na1 OW3 152.5(3) 2_756 .
O12 Na1 OW3 96.3(3) 3_756 .
OW4 Na1 Na1 43.7(5) 3_856 3_856
OW1 Na1 Na1 94.2(4) . 3_856
OW2 Na1 Na1 110.8(4) . 3_856
O7 Na1 Na1 127.51(18) . 3_856
OW3 Na1 Na1 49.9(4) 3_856 3_856
OW4 Na1 Na1 31.5(4) . 3_856
O14 Na1 Na1 124.49(17) 2_756 3_856
O12 Na1 Na1 81.66(15) 3_756 3_856
OW3 Na1 Na1 43.6(3) . 3_856
Na1 OW3 Na1 86.5(4) 3_856 .
Na1 OW4 Na1 104.8(6) 3_856 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O7 1.706(4) .
Mo1 O8 1.709(4) .
Mo1 O4 1.918(3) .
Mo1 O5 1.948(3) .
Mo1 O1 2.287(3) .
Mo1 O2 2.322(3) .
Mo2 O10 1.709(4) .
Mo2 O9 1.721(4) .
Mo2 O5 1.911(4) .
Mo2 O6 1.926(4) .
Mo2 O3 2.289(3) .
Mo2 O2 2.306(3) .
Mo3 O12 1.710(4) .
Mo3 O11 1.711(4) .
Mo3 O4 1.923(3) 3_756
Mo3 O6 1.933(3) .
Mo3 O1 2.299(3) 3_756
Mo3 O3 2.301(3) .
Ag1 N2 2.160(4) .
Ag1 N1 2.162(4) .
Al1 O1 1.875(3) 3_756
Al1 O1 1.875(3) .
Al1 O2 1.902(3) 3_756
Al1 O2 1.902(3) .
Al1 O3 1.923(3) 3_756
Al1 O3 1.923(3) .
O1 Mo3 2.299(3) 3_756
O4 Mo3 1.923(3) 3_756
O7 Na1 2.372(5) .
O12 Na1 2.584(5) 3_756
O13 C1 1.328(6) .
O14 C1 1.214(6) .
O14 Na1 2.526(5) 2_746
O16 C9 1.090(15) .
O16 C9A 1.46(3) .
C1 C2 1.461(7) .
C2 C3 1.337(7) .
C3 C4 1.469(7) .
C4 C5 1.383(7) .
C4 C8 1.385(8) .
C5 N2 1.344(7) .
C6 N2 1.337(8) .
C6 C7 1.382(8) .
C7 C8 1.376(8) .
O15 C9 1.334(14) .
C9 C10 1.49(2) .
C10 C11 1.331(19) .
C11 C12 1.402(12) .
O15A C9A 1.30(3) .
C9A C10A 1.48(2) .
C10A C11A 1.30(2) .
C11A C12 1.68(2) .
C12 C13 1.396(8) .
C12 C16 1.408(11) .
C13 N1 1.337(7) .
C14 N1 1.336(8) .
C14 C15 1.387(10) .
C15 C16 1.323(12) .
Na1 OW4 1.865(17) 3_856
Na1 OW1 1.922(9) .
Na1 OW2 2.252(15) .
Na1 OW3 2.379(12) 3_856
Na1 OW4 2.462(15) .
Na1 O14 2.526(5) 2_756
Na1 O12 2.584(5) 3_756
Na1 OW3 2.641(15) .
Na1 Na1 3.446(6) 3_856
OW3 Na1 2.379(12) 3_856
OW4 Na1 1.865(17) 3_856
OW5 OW6 0.713(15) .
OW7 OW8 0.71(3) .
