#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/12/2011217.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2011217
loop_
_publ_author_name
'Audebrand, Nathalie'
'Louër, Daniel'
_publ_section_title
;
 Cerous sodium nitrate monohydrate, Na₂Ce(NO₃)₅·H₂O
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              913
_journal_page_last               915
_journal_paper_doi               10.1107/S0108270100006211
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          'Na2 Ce (N O3)5 , H2 O'
_chemical_formula_moiety         'Na2 Ce (N O3)5 , H2 O'
_chemical_formula_sum            'Ce N5 Na2 O16'
_chemical_formula_weight         512.15
_chemical_name_common            'Cerous sodium nitrate monohydrate'
_chemical_name_systematic
;
disodium cerium pentanitrate monohydrate
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.657(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.387(5)
_cell_length_b                   7.9328(10)
_cell_length_c                   15.184(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13.65
_cell_measurement_theta_min      7.98
_cell_volume                     2575.9(9)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .94
_diffrn_measured_fraction_theta_max .94
_diffrn_measurement_device_type  'Enraf-Nonius CAD4'
_diffrn_measurement_method       θ/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .013
_diffrn_reflns_av_sigmaI/netI    .046
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            7649
_diffrn_reflns_theta_full        29.97
_diffrn_reflns_theta_max         29.97
_diffrn_reflns_theta_min         1.90
_diffrn_standards_decay_%        -1.7
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.711
_exptl_absorpt_correction_T_max  .999
_exptl_absorpt_correction_T_min  .860
_exptl_absorpt_correction_type   \y-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.641
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod-like
_exptl_crystal_F_000             1944
_exptl_crystal_size_max          .25
_exptl_crystal_size_mid          .23
_exptl_crystal_size_min          .13
_refine_diff_density_max         .869
_refine_diff_density_min         -1.845
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     434
_refine_ls_number_reflns         7469
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          .088
_refine_ls_R_factor_gt           .026
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0237P)²+2.1991P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .062
_reflns_number_gt                4530
_reflns_number_total             7469
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            gs1089.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0237P)^2^+2.1991P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(Fo^2^)+(0.0237P)^2^+2.1991P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2575.9(10)
_cod_original_sg_symbol_H-M      P2/c
_cod_database_code               2011217
_cod_database_fobs_code          2011217
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Ce1 0 .17065(4) 0.25 .01618(6) Uani d S 1 . . Ce
Ce2 0.249106(10) .16716(3) 0.255223(12) .01612(5) Uani d . 1 . . Ce
Ce3 0.5 .14735(4) 0.25 .01696(7) Uani d S 1 . . Ce
Na1 0.11990(9) .2362(2) -0.02622(10) .0360(4) Uani d . 1 . . Na
Na2 0.37229(8) -.1883(2) 0.03513(10) .0319(4) Uani d . 1 . . Na
Na3 0.12714(8) -.34097(18) 0.15745(10) .0270(3) Uani d . 1 . . Na
Na4 0.39153(11) -.3361(2) 0.37929(12) .0473(5) Uani d . 1 . . Na
N1 0.07071(14) -.0190(4) 0.10803(19) .0221(6) Uani d . 1 . . N
N2 0.37832(14) .3504(4) 0.28229(19) .0192(6) Uani d . 1 . . N
N3 0.12448(14) .0463(4) 0.33686(18) .0184(6) Uani d . 1 . . N
N4 0.24963(15) -.1471(4) 0.14161(18) .0233(7) Uani d . 1 . . N
N5 0.42147(14) -.1604(4) 0.20958(19) .0217(6) Uani d . 1 . . N
N6 0.50259(15) -.2523(4) -0.0555(2) .0251(7) Uani d . 1 . . N
N7 0.18212(14) .4883(4) 0.31166(19) .0209(6) Uani d . 1 . . N
N8 0.32073(14) .0214(4) -0.10062(19) .0213(6) Uani d . 1 . . N
N9 0.00337(14) .4795(4) 0.36912(19) .0235(6) Uani d . 1 . . N
N10 0.24538(15) .2864(4) 0.06700(19) .0252(7) Uani d . 1 . . N
O11 0.05516(12) -.0908(3) 0.17905(16) .0232(6) Uani d . 1 . . O
O12 0.05342(13) .1314(3) 0.09758(17) .0280(6) Uani d . 1 . . O
O13 0.10251(14) -.0915(4) 0.05318(17) .0355(7) Uani d . 1 . . O
O21 0.37574(12) .1997(3) 0.25375(16) .0216(5) Uani d . 1 . . O
O23 0.43059(12) .4155(3) 0.29366(17) .0241(6) Uani d . 1 . . O
O22 0.32910(12) .4257(3) 0.29805(17) .0258(6) Uani d . 1 . . O
O33 0.17461(12) .0014(4) 0.37078(16) .0261(6) Uani d . 1 . . O
O32 0.12533(11) .1496(3) 0.27272(15) .0200(5) Uani d . 1 . . O
O31 0.07353(11) -.0093(4) 0.36231(16) .0249(6) Uani d . 1 . . O
O41 0.20529(12) -.1151(3) 0.19457(16) .0249(6) Uani d . 1 . . O
O43 0.24911(16) -.2717(4) 0.09509(19) .0405(8) Uani d . 1 . . O
O42 0.29442(12) -.0437(3) 0.14051(16) .0252(6) Uani d . 1 . . O
O51 0.43978(12) -.1276(4) 0.28802(16) .0252(6) Uani d . 1 . . O
O52 0.43524(12) -.0537(3) 0.15093(15) .0236(6) Uani d . 1 . . O
O53 0.39269(14) -.2884(4) 0.19201(19) .0349(7) Uani d . 1 . . O
O61 0.54295(13) -.3032(4) -0.10940(16) .0296(6) Uani d . 1 . . O
O62 0.45971(13) -.1569(3) -0.08481(17) .0283(6) Uani d . 1 . . O
O63 0.50483(15) -.2937(4) 0.02254(16) .0392(8) Uani d . 1 . . O
O71 0.19345(13) .4537(3) 0.23202(15) .0256(6) Uani d . 1 . . O
O72 0.20317(12) .3871(3) 0.36918(16) .0250(6) Uani d . 1 . . O
O73 0.15167(13) .6136(4) 0.33073(17) .0292(6) Uani d . 1 . . O
O81 0.30417(13) -.0974(3) 0.33051(16) .0252(6) Uani d . 1 . . O
O82 0.30290(13) .1303(3) 0.40846(16) .0248(6) Uani d . 1 . . O
O83 0.35377(13) .0883(4) -0.04397(17) .0291(6) Uani d . 1 . . O
O91 0.04320(12) .4535(3) 0.18121(17) .0265(6) Uani d . 1 . . O
O92 0.04546(12) .3666(3) 0.37011(17) .0265(6) Uani d . 1 . . O
O93 -0.00795(14) .6064(4) 0.08574(18) .0356(7) Uani d . 1 . . O
O101 0.19973(13) .2029(4) 0.09794(17) .0286(6) Uani d . 1 . . O
O102 0.29000(13) .3207(4) 0.11870(16) .0277(6) Uani d . 1 . . O
O103 0.24508(15) .3314(4) -0.00982(17) .0428(9) Uani d . 1 . . O
OW1 0.12746(12) .5297(3) 0.01812(16) .0275(6) Uani d . 1 . . O
OW2 0.37203(14) -.4833(4) 0.00160(18) .0351(7) Uani d . 1 . . O
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ce Ce -.2486 2.6331 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na .0362 .0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-3 2 8
2 3 0
5 1 4
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O92 Ce1 O92 . 2 105.88(12) no
O92 Ce1 O12 . . 122.27(9) no
O92 Ce1 O12 2 . 67.01(8) no
O92 Ce1 O12 . 2 67.01(8) no
O92 Ce1 O12 2 2 122.27(9) no
O12 Ce1 O12 . 2 166.34(12) no
O92 Ce1 O11 . . 126.82(8) no
O92 Ce1 O11 2 . 110.70(8) no
O12 Ce1 O11 . . 48.61(8) no
O12 Ce1 O11 2 . 118.24(8) no
O92 Ce1 O11 . 2 110.70(8) no
O92 Ce1 O11 2 2 126.82(8) no
O12 Ce1 O11 . 2 118.24(8) no
O12 Ce1 O11 2 2 48.61(8) no
O11 Ce1 O11 . 2 75.53(11) no
O92 Ce1 O91 . . 68.75(8) no
O92 Ce1 O91 2 . 48.73(8) no
O12 Ce1 O91 . . 65.96(8) no
O12 Ce1 O91 2 . 127.52(8) no
O11 Ce1 O91 . . 110.33(8) no
O11 Ce1 O91 2 . 173.32(8) no
O92 Ce1 O91 . 2 48.73(8) no
O92 Ce1 O91 2 2 68.75(8) no
O12 Ce1 O91 . 2 127.52(8) no
O12 Ce1 O91 2 2 65.96(8) no
O11 Ce1 O91 . 2 173.32(8) no
O11 Ce1 O91 2 2 110.33(8) no
O91 Ce1 O91 . 2 64.03(11) no
O92 Ce1 O32 . 2 119.48(7) no
O92 Ce1 O32 2 2 65.28(7) no
O12 Ce1 O32 . 2 108.84(8) no
O12 Ce1 O32 2 2 70.27(8) no
O11 Ce1 O32 . 2 110.43(7) no
O11 Ce1 O32 2 2 63.50(7) no
O91 Ce1 O32 . 2 110.64(7) no
O91 Ce1 O32 2 2 75.62(7) no
O92 Ce1 O32 . . 65.28(7) no
O92 Ce1 O32 2 . 119.48(7) no
O12 Ce1 O32 . . 70.27(8) no
O12 Ce1 O32 2 . 108.84(8) no
O11 Ce1 O32 . . 63.50(7) no
O11 Ce1 O32 2 . 110.43(7) no
O91 Ce1 O32 . . 75.62(7) no
O91 Ce1 O32 2 . 110.64(8) no
O32 Ce1 O32 2 . 172.96(10) no
O92 Ce1 O31 . 2 166.73(8) no
O92 Ce1 O31 2 2 70.22(8) no
O12 Ce1 O31 . 2 68.67(8) no
O12 Ce1 O31 2 2 103.79(8) no
O11 Ce1 O31 . 2 65.52(8) no
O11 Ce1 O31 2 2 65.27(8) no
O91 Ce1 O31 . 2 113.66(8) no
O91 Ce1 O31 2 2 119.46(8) no
O32 Ce1 O31 2 2 47.25(7) no
O32 Ce1 O31 . 2 127.89(7) no
O92 Ce1 O31 . . 70.22(8) no
O92 Ce1 O31 2 . 166.73(8) no
O12 Ce1 O31 . . 103.79(8) no
O12 Ce1 O31 2 . 68.67(8) no
O11 Ce1 O31 . . 65.27(8) no
O11 Ce1 O31 2 . 65.52(8) no
O91 Ce1 O31 . . 119.46(8) no
O91 Ce1 O31 2 . 113.66(8) no
O32 Ce1 O31 2 . 127.89(7) no
O32 Ce1 O31 . . 47.25(7) no
O31 Ce1 O31 2 . 116.44(11) no
O102 Ce2 O71 . . 68.51(8) no
O102 Ce2 O41 . . 104.37(8) no
O71 Ce2 O41 . . 123.08(8) no
O102 Ce2 O82 . . 128.66(9) no
O71 Ce2 O82 . . 114.73(8) no
O41 Ce2 O82 . . 112.08(8) no
O102 Ce2 O42 . . 68.45(9) no
O71 Ce2 O42 . . 130.24(8) no
O41 Ce2 O42 . . 49.09(8) no
O82 Ce2 O42 . . 111.18(8) no
O102 Ce2 O101 . . 49.37(8) no
O71 Ce2 O101 . . 66.45(8) no
O41 Ce2 O101 . . 68.17(9) no
O82 Ce2 O101 . . 177.53(8) no
O42 Ce2 O101 . . 66.99(9) no
O102 Ce2 O72 . . 110.28(9) no
O71 Ce2 O72 . . 48.56(7) no
O41 Ce2 O72 . . 131.63(8) no
O82 Ce2 O72 . . 69.72(8) no
O42 Ce2 O72 . . 178.71(8) no
O101 Ce2 O72 . . 112.07(8) no
O102 Ce2 O81 . . 124.66(8) no
O71 Ce2 O81 . . 162.30(7) no
O41 Ce2 O81 . . 68.17(8) no
O82 Ce2 O81 . . 48.50(7) no
O42 Ce2 O81 . . 67.35(8) no
O101 Ce2 O81 . . 130.57(8) no
O72 Ce2 O81 . . 113.83(8) no
O102 Ce2 O32 . . 116.90(8) no
O71 Ce2 O32 . . 66.63(8) no
O41 Ce2 O32 . . 68.59(7) no
O82 Ce2 O32 . . 109.56(8) no
O42 Ce2 O32 . . 114.20(8) no
O101 Ce2 O32 . . 72.87(8) no
O72 Ce2 O32 . . 66.05(8) no
O81 Ce2 O32 . . 110.61(8) no
O102 Ce2 O21 . . 66.41(8) no
O71 Ce2 O21 . . 111.85(8) no
O41 Ce2 O21 . . 115.78(7) no
O82 Ce2 O21 . . 65.68(8) no
O42 Ce2 O21 . . 71.17(7) no
O101 Ce2 O21 . . 111.92(8) no
O72 Ce2 O21 . . 108.63(8) no
O81 Ce2 O21 . . 69.03(8) no
O32 Ce2 O21 . . 174.26(7) no
O102 Ce2 O33 . . 163.19(8) no
O71 Ce2 O33 . . 103.92(8) no
O41 Ce2 O33 . . 66.41(8) no
O82 Ce2 O33 . . 67.97(8) no
O42 Ce2 O33 . . 110.19(8) no
O101 Ce2 O33 . . 114.07(8) no
O72 Ce2 O33 . . 70.95(8) no
O81 Ce2 O33 . . 66.48(8) no
O32 Ce2 O33 . . 47.34(7) no
O21 Ce2 O33 . . 129.86(7) no
O102 Ce2 O22 . . 67.62(8) no
O71 Ce2 O22 . . 70.15(8) no
O41 Ce2 O22 . . 162.12(7) no
O82 Ce2 O22 . . 66.65(8) no
O42 Ce2 O22 . . 113.68(8) no
O101 Ce2 O22 . . 112.30(8) no
O72 Ce2 O22 . . 65.71(8) no
O81 Ce2 O22 . . 102.48(8) no
O32 Ce2 O22 . . 129.19(7) no
O21 Ce2 O22 . . 46.64(7) no
O33 Ce2 O22 . . 125.18(8) no
O52 Ce3 O52 . 2_655 103.76(11) no
O52 Ce3 O51 . . 49.34(7) no
O52 Ce3 O51 2_655 . 67.44(8) no
O52 Ce3 O51 . 2_655 67.44(8) no
O52 Ce3 O51 2_655 2_655 49.34(7) no
O51 Ce3 O51 . 2_655 66.04(12) no
O52 Ce3 O61 . 4_556 160.88(8) no
O52 Ce3 O61 2_655 4_556 68.72(8) no
O51 Ce3 O61 . 4_556 112.58(8) no
O51 Ce3 O61 2_655 4_556 113.98(8) no
O52 Ce3 O61 . 3_655 68.72(8) no
O52 Ce3 O61 2_655 3_655 160.88(8) no
O51 Ce3 O61 . 3_655 113.98(8) no
O51 Ce3 O61 2_655 3_655 112.58(8) no
O61 Ce3 O61 4_556 3_655 123.75(13) no
O52 Ce3 O62 . 4_556 112.88(8) no
O52 Ce3 O62 2_655 4_556 69.29(8) no
O51 Ce3 O62 . 4_556 69.39(8) no
O51 Ce3 O62 2_655 4_556 113.55(8) no
O61 Ce3 O62 4_556 4_556 48.27(8) no
O61 Ce3 O62 3_655 4_556 129.70(8) no
O52 Ce3 O62 . 3_655 69.29(8) no
O52 Ce3 O62 2_655 3_655 112.88(8) no
O51 Ce3 O62 . 3_655 113.55(8) no
O51 Ce3 O62 2_655 3_655 69.39(8) no
O61 Ce3 O62 4_556 3_655 129.70(8) no
O61 Ce3 O62 3_655 3_655 48.27(8) no
O62 Ce3 O62 4_556 3_655 176.74(11) no
O52 Ce3 O23 . 2_655 129.80(8) no
O52 Ce3 O23 2_655 2_655 109.84(8) no
O51 Ce3 O23 . 2_655 175.52(8) no
O51 Ce3 O23 2_655 2_655 109.48(8) no
O61 Ce3 O23 4_556 2_655 68.76(8) no
O61 Ce3 O23 3_655 2_655 67.31(8) no
O62 Ce3 O23 4_556 2_655 113.36(8) no
O62 Ce3 O23 3_655 2_655 63.79(8) no
O52 Ce3 O23 . . 109.84(8) no
O52 Ce3 O23 2_655 . 129.80(8) no
O51 Ce3 O23 . . 109.48(8) no
O51 Ce3 O23 2_655 . 175.52(8) no
O61 Ce3 O23 4_556 . 67.31(8) no
O61 Ce3 O23 3_655 . 68.76(8) no
O62 Ce3 O23 4_556 . 63.79(8) no
O62 Ce3 O23 3_655 . 113.36(8) no
O23 Ce3 O23 2_655 . 74.99(11) no
O52 Ce3 O21 . 2_655 127.28(8) no
O52 Ce3 O21 2_655 2_655 65.43(8) no
O51 Ce3 O21 . 2_655 128.69(8) no
O51 Ce3 O21 2_655 2_655 68.46(8) no
O61 Ce3 O21 4_556 2_655 66.90(8) no
O61 Ce3 O21 3_655 2_655 104.31(8) no
O62 Ce3 O21 4_556 2_655 110.22(8) no
O62 Ce3 O21 3_655 2_655 69.24(8) no
O23 Ce3 O21 2_655 2_655 47.42(7) no
O23 Ce3 O21 . 2_655 115.63(7) no
O52 Ce3 O21 . . 65.43(8) no
O52 Ce3 O21 2_655 . 127.28(8) no
O51 Ce3 O21 . . 68.46(8) no
O51 Ce3 O21 2_655 . 128.69(8) no
O61 Ce3 O21 4_556 . 104.31(8) no
O61 Ce3 O21 3_655 . 66.90(8) no
O62 Ce3 O21 4_556 . 69.24(8) no
O62 Ce3 O21 3_655 . 110.22(8) no
O23 Ce3 O21 2_655 . 115.63(7) no
O23 Ce3 O21 . . 47.42(7) no
O21 Ce3 O21 2_655 . 162.30(10) no
OW1 Na1 O12 . . 98.38(10) no
OW1 Na1 O101 . . 81.52(10) no
O12 Na1 O101 . . 78.00(10) no
OW1 Na1 O73 . 4_565 76.85(10) no
O12 Na1 O73 . 4_565 160.25(12) no
O101 Na1 O73 . 4_565 119.48(11) no
OW1 Na1 O31 . 4 148.11(11) no
O12 Na1 O31 . 4 92.45(10) no
O101 Na1 O31 . 4 130.22(11) no
O73 Na1 O31 4_565 4 82.87(9) no
OW1 Na1 O33 . 4 142.66(11) no
O12 Na1 O33 . 4 116.93(11) no
O101 Na1 O33 . 4 93.71(10) no
O73 Na1 O33 4_565 4 73.51(9) no
O31 Na1 O33 4 4 47.55(8) no
OW1 Na1 O103 . . 69.83(10) no
O12 Na1 O103 . . 125.02(10) no
O101 Na1 O103 . . 47.67(8) no
O73 Na1 O103 4_565 . 71.82(9) no
O31 Na1 O103 4 . 126.30(10) no
O33 Na1 O103 4 . 79.63(9) no
OW1 Na1 O93 . 3_565 73.68(10) no
O12 Na1 O93 . 3_565 84.30(10) no
O101 Na1 O93 . 3_565 146.96(11) no
O73 Na1 O93 4_565 3_565 75.96(10) no
O31 Na1 O93 4 3_565 77.71(9) no
O33 Na1 O93 4 3_565 119.24(10) no
O103 Na1 O93 . 3_565 135.56(11) no
OW1 Na1 O13 . . 139.03(10) no
O12 Na1 O13 . . 46.71(8) no
O101 Na1 O13 . . 71.68(10) no
O73 Na1 O13 4_565 . 143.53(10) no
O31 Na1 O13 4 . 66.94(9) no
O33 Na1 O13 4 . 71.08(8) no
O103 Na1 O13 . . 109.51(10) no
O93 Na1 O13 3_565 . 114.62(10) no
OW1 Na1 N10 . . 71.99(10) no
O12 Na1 N10 . . 101.48(10) no
O101 Na1 N10 . . 24.28(8) no
O73 Na1 N10 4_565 . 95.28(10) no
O31 Na1 N10 4 . 134.92(10) no
O33 Na1 N10 4 . 88.56(9) no
O103 Na1 N10 . . 23.61(7) no
O93 Na1 N10 3_565 . 145.66(10) no
O13 Na1 N10 . . 92.32(10) no
OW1 Na1 N3 . 4 152.61(10) no
O12 Na1 N3 . 4 106.84(10) no
O101 Na1 N3 . 4 113.68(10) no
O73 Na1 N3 4_565 4 75.82(9) no
O31 Na1 N3 4 4 23.80(7) no
O33 Na1 N3 4 4 23.82(7) no
O103 Na1 N3 . 4 102.76(10) no
O93 Na1 N3 3_565 4 98.01(9) no
O13 Na1 N3 . 4 68.30(8) no
N10 Na1 N3 . 4 112.14(10) no
OW1 Na1 Na3 . 1_565 23.69(6) no
O12 Na1 Na3 . 1_565 77.98(8) no
O101 Na1 Na3 . 1_565 65.64(8) no
O73 Na1 Na3 4_565 1_565 100.10(8) no
O31 Na1 Na3 4 1_565 159.79(8) no
O33 Na1 Na3 4 1_565 152.49(8) no
O103 Na1 Na3 . 1_565 73.02(8) no
O93 Na1 Na3 3_565 1_565 83.60(7) no
O13 Na1 Na3 . 1_565 115.37(7) no
N10 Na1 Na3 . 1_565 65.04(7) no
N3 Na1 Na3 4 1_565 175.01(8) no
OW2 Na2 O52 . . 125.36(11) no
OW2 Na2 O82 . 4 90.96(11) no
O52 Na2 O82 . 4 143.36(11) no
OW2 Na2 O83 . . 138.33(11) no
O52 Na2 O83 . . 92.52(10) no
O82 Na2 O83 4 . 51.49(9) no
OW2 Na2 O53 . . 83.88(11) no
O52 Na2 O53 . . 51.45(9) no
O82 Na2 O53 4 . 152.36(12) no
O83 Na2 O53 . . 137.66(11) no
OW2 Na2 O42 . . 124.33(11) no
O52 Na2 O42 . . 73.45(9) no
O82 Na2 O42 4 . 90.80(10) no
O83 Na2 O42 . . 79.10(10) no
O53 Na2 O42 . . 70.37(10) no
OW2 Na2 O62 . . 86.87(10) no
O52 Na2 O62 . . 93.83(10) no
O82 Na2 O62 4 . 82.43(10) no
O83 Na2 O62 . . 72.46(9) no
O53 Na2 O62 . . 124.16(11) no
O42 Na2 O62 . . 148.29(11) no
OW2 Na2 N5 . . 105.87(11) no
O52 Na2 N5 . . 26.29(8) no
O82 Na2 N5 4 . 157.85(11) no
O83 Na2 N5 . . 115.32(10) no
O53 Na2 N5 . . 25.30(8) no
O42 Na2 N5 . . 67.91(9) no
O62 Na2 N5 . . 112.22(10) no
OW2 Na2 N8 . . 114.54(11) no
O52 Na2 N8 . . 117.94(11) no
O82 Na2 N8 4 . 26.28(8) no
O83 Na2 N8 . . 25.43(8) no
O53 Na2 N8 . . 156.49(11) no
O42 Na2 N8 . . 86.71(10) no
O62 Na2 N8 . . 73.60(9) no
N5 Na2 N8 . . 139.51(11) no
OW2 Na2 O43 . . 80.93(10) no
O52 Na2 O43 . . 111.81(10) no
O82 Na2 O43 4 . 75.13(10) no
O83 Na2 O43 . . 102.18(11) no
O53 Na2 O43 . . 77.24(10) no
O42 Na2 O43 . . 46.24(8) no
O62 Na2 O43 . . 154.16(10) no
N5 Na2 O43 . . 93.07(10) no
N8 Na2 O43 . . 90.85(10) no
OW2 Na2 O63 . . 73.18(11) no
O52 Na2 O63 . . 69.55(9) no
O82 Na2 O63 4 . 124.85(10) no
O83 Na2 O63 . . 111.00(10) no
O53 Na2 O63 . . 79.57(9) no
O42 Na2 O63 . . 141.88(10) no
O62 Na2 O63 . . 45.24(8) no
N5 Na2 O63 . . 74.84(9) no
N8 Na2 O63 . . 118.60(9) no
O43 Na2 O63 . . 146.76(11) no
OW1 Na3 O71 1_545 1_545 96.84(10) no
OW1 Na3 O91 1_545 1_545 81.50(10) no
O71 Na3 O91 1_545 1_545 84.81(10) no
OW1 Na3 O41 1_545 . 120.32(10) no
O71 Na3 O41 1_545 . 89.46(10) no
O91 Na3 O41 1_545 . 158.01(10) no
OW1 Na3 O11 1_545 . 117.80(10) no
O71 Na3 O11 1_545 . 144.67(10) no
O91 Na3 O11 1_545 . 93.17(10) no
O41 Na3 O11 . . 79.37(9) no
OW1 Na3 O13 1_545 . 77.63(10) no
O71 Na3 O13 1_545 . 155.75(11) no
O91 Na3 O13 1_545 . 117.09(11) no
O41 Na3 O13 . . 73.79(10) no
O11 Na3 O13 . . 50.25(8) no
OW1 Na3 O73 1_545 1_545 144.67(10) no
O71 Na3 O73 1_545 1_545 49.56(8) no
O91 Na3 O73 1_545 1_545 84.38(9) no
O41 Na3 O73 . 1_545 75.82(9) no
O11 Na3 O73 . 1_545 95.11(9) no
O13 Na3 O73 . 1_545 137.25(10) no
OW1 Na3 O43 1_545 . 76.85(9) no
O71 Na3 O43 1_545 . 75.62(10) no
O91 Na3 O43 1_545 . 148.61(11) no
O41 Na3 O43 . . 47.53(8) no
O11 Na3 O43 . . 116.96(10) no
O13 Na3 O43 . . 80.13(10) no
O73 Na3 O43 1_545 . 100.47(10) no
OW1 Na3 N1 1_545 . 99.02(10) no
O71 Na3 N1 1_545 . 160.55(10) no
O91 Na3 N1 1_545 . 108.60(10) no
O41 Na3 N1 . . 72.82(9) no
O11 Na3 N1 . . 25.64(7) no
O13 Na3 N1 . . 24.81(7) no
O73 Na3 N1 1_545 . 116.18(9) no
O43 Na3 N1 . . 97.10(10) no
OW1 Na3 N7 1_545 1_545 120.67(10) no
O71 Na3 N7 1_545 1_545 25.03(8) no
O91 Na3 N7 1_545 1_545 82.12(9) no
O41 Na3 N7 . 1_545 83.74(9) no
O11 Na3 N7 . 1_545 119.72(9) no
O13 Na3 N7 . 1_545 156.58(11) no
O73 Na3 N7 1_545 1_545 24.67(8) no
O43 Na3 N7 . 1_545 89.64(10) no
N1 Na3 N7 . 1_545 140.20(10) no
OW1 Na3 N4 1_545 . 97.93(9) no
O71 Na3 N4 1_545 . 82.97(9) no
O91 Na3 N4 1_545 . 167.61(10) no
O41 Na3 N4 . . 24.12(7) no
O11 Na3 N4 . . 97.97(9) no
O13 Na3 N4 . . 74.59(10) no
O73 Na3 N4 1_545 . 89.22(9) no
O43 Na3 N4 . . 23.47(7) no
N1 Na3 N4 . . 83.75(9) no
N7 Na3 N4 1_545 . 87.64(9) no
OW1 Na3 O93 1_545 1_545 68.79(9) no
O71 Na3 O93 1_545 1_545 127.51(10) no
O91 Na3 O93 1_545 1_545 44.22(8) no
O41 Na3 O93 . 1_545 142.12(10) no
O11 Na3 O93 . 1_545 65.58(9) no
O13 Na3 O93 . 1_545 72.92(9) no
O73 Na3 O93 1_545 1_545 119.55(9) no
O43 Na3 O93 . 1_545 139.85(10) no
N1 Na3 O93 . 1_545 69.36(9) no
N7 Na3 O93 1_545 1_545 125.44(9) no
N4 Na3 O93 . 1_545 146.84(9) no
OW2 Na4 O51 4_546 . 160.57(14) no
OW2 Na4 O83 4_546 4_556 92.82(11) no
O51 Na4 O83 . 4_556 82.33(10) no
OW2 Na4 O23 4_546 1_545 89.67(11) no
O51 Na4 O23 . 1_545 95.42(10) no
O83 Na4 O23 4_556 1_545 177.48(11) no
OW2 Na4 O22 4_546 1_545 80.87(11) no
O51 Na4 O22 . 1_545 116.60(11) no
O83 Na4 O22 4_556 1_545 129.91(12) no
O23 Na4 O22 1_545 1_545 50.20(8) no
OW2 Na4 O63 4_546 2_655 77.99(11) no
O51 Na4 O63 . 2_655 82.82(11) no
O83 Na4 O63 4_556 2_655 84.69(11) no
O23 Na4 O63 1_545 2_655 96.19(11) no
O22 Na4 O63 1_545 2_655 140.18(12) no
OW2 Na4 O81 4_546 . 119.88(12) no
O51 Na4 O81 . . 70.49(10) no
O83 Na4 O81 4_556 . 49.08(8) no
O23 Na4 O81 1_545 . 129.08(11) no
O22 Na4 O81 1_545 . 91.72(10) no
O63 Na4 O81 2_655 . 128.09(11) no
OW2 Na4 O53 4_546 . 148.73(11) no
O51 Na4 O53 . . 47.83(9) no
O83 Na4 O53 4_556 . 112.12(10) no
O23 Na4 O53 1_545 . 65.41(9) no
O22 Na4 O53 1_545 . 68.79(9) no
O63 Na4 O53 2_655 . 121.24(11) no
O81 Na4 O53 . . 69.93(9) no
OW2 Na4 N2 4_546 1_545 82.20(10) no
O51 Na4 N2 . 1_545 109.79(10) no
O83 Na4 N2 4_556 1_545 155.07(13) no
O23 Na4 N2 1_545 1_545 25.24(8) no
O22 Na4 N2 1_545 1_545 25.22(8) no
O63 Na4 N2 2_655 1_545 117.69(11) no
O81 Na4 N2 . 1_545 113.08(11) no
O53 Na4 N2 . 1_545 67.19(9) no
OW2 Na4 N8 4_546 4_556 109.54(11) no
O51 Na4 N8 . 4_556 72.51(9) no
O83 Na4 N8 4_556 4_556 24.20(8) no
O23 Na4 N8 1_545 4_556 153.75(11) no
O22 Na4 N8 1_545 4_556 113.76(11) no
O63 Na4 N8 2_655 4_556 105.02(11) no
O81 Na4 N8 . 4_556 25.18(7) no
O53 Na4 N8 . 4_556 90.08(9) no
N2 Na4 N8 1_545 4_556 137.25(11) no
OW2 Na4 N5 4_546 . 170.72(11) no
O51 Na4 N5 . . 24.17(8) no
O83 Na4 N5 4_556 . 96.42(10) no
O23 Na4 N5 1_545 . 81.08(9) no
O22 Na4 N5 1_545 . 92.54(10) no
O63 Na4 N5 2_655 . 103.61(11) no
O81 Na4 N5 . . 66.52(8) no
O53 Na4 N5 . . 23.78(7) no
N2 Na4 N5 1_545 . 89.06(9) no
N8 Na4 N5 4_556 . 79.05(9) no
O11 N1 O12 . . 117.0(3) no
O11 N1 O13 . . 121.4(3) no
O12 N1 O13 . . 121.6(3) no
O13 N1 Na3 . . 62.13(19) no
O12 N1 Na3 . . 169.2(2) no
O11 N1 Na3 . . 59.99(17) no
O13 N1 OW1 . 1_545 34.86(19) no
O12 N1 OW1 . 1_545 152.8(2) no
O11 N1 OW1 . 1_545 88.38(19) no
Na3 N1 OW1 . 1_545 35.25(6) no
O21 N2 O22 . . 119.1(3) no
O21 N2 O23 . . 118.3(3) no
O22 N2 O23 . . 122.7(3) no
O22 N2 Na4 . 1_565 64.26(18) no
O23 N2 Na4 . 1_565 59.40(17) no
O21 N2 Na4 . 1_565 169.0(2) no
O22 N2 OW2 . 4_556 68.17(18) no
O23 N2 OW2 . 4_556 77.65(18) no
O21 N2 OW2 . 4_556 127.30(19) no
Na4 N2 OW2 1_565 4_556 42.54(7) no
O31 N3 O32 . . 119.1(3) no
O31 N3 O33 . . 121.9(3) no
O32 N3 O33 . . 119.0(3) no
O33 N3 Na1 . 4_556 62.62(17) no
O31 N3 Na1 . 4_556 59.54(17) no
O32 N3 Na1 . 4_556 172.9(2) no
O41 N4 O42 . . 116.7(3) no
O41 N4 O43 . . 121.8(3) no
O42 N4 O43 . . 121.5(3) no
O43 N4 Na3 . . 68.5(2) no
O42 N4 Na3 . . 169.2(2) no
O41 N4 Na3 . . 53.50(17) no
O43 N4 OW1 . 1_545 39.1(2) no
O42 N4 OW1 . 1_545 151.7(2) no
O41 N4 OW1 . 1_545 86.45(19) no
Na3 N4 OW1 . 1_545 34.62(5) no
O51 N5 O52 . . 116.7(3) no
O51 N5 O53 . . 121.6(3) no
O52 N5 O53 . . 121.7(3) no
O53 N5 Na2 . . 63.24(18) no
O52 N5 Na2 . . 58.93(16) no
O51 N5 Na2 . . 171.9(2) no
O53 N5 Na4 . . 71.8(2) no
O52 N5 Na4 . . 165.3(2) no
O51 N5 Na4 . . 50.25(16) no
Na2 N5 Na4 . . 132.91(12) no
O53 N5 Ce3 . . 176.7(2) no
O52 N5 Ce3 . . 57.97(16) no
O51 N5 Ce3 . . 58.83(16) no
Na2 N5 Ce3 . . 116.77(10) no
Na4 N5 Ce3 . . 108.94(10) no
O53 N5 OW2 . . 37.00(18) no
O52 N5 OW2 . . 86.42(18) no
O51 N5 OW2 . . 154.1(2) no
Na2 N5 OW2 . . 33.34(6) no
Na4 N5 OW2 . . 107.89(9) no
Ce3 N5 OW2 . . 141.40(10) no
O61 N6 O62 . . 117.4(3) no
O61 N6 O63 . . 121.4(3) no
O62 N6 O63 . . 121.2(3) no
O63 N6 OW2 . . 68.9(2) no
O61 N6 OW2 . . 123.5(2) no
O62 N6 OW2 . . 79.70(19) no
O63 N6 OW2 . 3_645 66.0(2) no
O61 N6 OW2 . 3_645 55.34(18) no
O62 N6 OW2 . 3_645 172.8(2) no
OW2 N6 OW2 . 3_645 104.05(10) no
O71 N7 O72 . . 116.9(3) no
O71 N7 O73 . . 120.6(3) no
O72 N7 O73 . . 122.5(3) no
O73 N7 Na3 . 1_565 66.75(18) no
O72 N7 Na3 . 1_565 168.1(2) no
O71 N7 Na3 . 1_565 54.37(16) no
O73 N7 OW1 . 4_566 67.76(18) no
O72 N7 OW1 . 4_566 56.94(16) no
O71 N7 OW1 . 4_566 162.6(2) no
Na3 N7 OW1 1_565 4_566 128.43(11) no
O81 N8 O82 4 4 117.6(3) no
O81 N8 O83 4 . 122.1(3) no
O82 N8 O83 4 . 120.3(3) no
O83 N8 Na2 . . 62.10(18) no
O81 N8 Na2 4 . 169.4(2) no
O82 N8 Na2 4 . 58.96(17) no
O83 N8 Na4 . 4 54.02(18) no
O81 N8 Na4 4 4 69.24(18) no
O82 N8 Na4 4 4 166.5(2) no
Na2 N8 Na4 . 4 111.99(11) no
O91 N9 O92 2 . 116.4(3) no
O91 N9 O93 2 2 122.0(3) no
O92 N9 O93 . 2 121.5(3) no
O93 N9 Na3 2 2_565 76.4(2) no
O91 N9 Na3 2 2_565 46.15(16) no
O92 N9 Na3 . 2_565 161.0(2) no
O93 N9 OW1 2 2 71.0(2) no
O91 N9 OW1 2 2 70.66(17) no
O92 N9 OW1 . 2 132.7(2) no
Na3 N9 OW1 2_565 2 42.51(6) no
O93 N9 OW1 2 4_566 66.1(2) no
O91 N9 OW1 2 4_566 169.0(2) no
O92 N9 OW1 . 4_566 55.99(17) no
Na3 N9 OW1 2_565 4_566 139.62(11) no
OW1 N9 OW1 2 4_566 107.98(9) no
O101 N10 O102 . . 117.5(3) no
O101 N10 O103 . . 120.6(3) no
O102 N10 O103 . . 121.9(3) no
O103 N10 Ce2 . . 178.2(2) no
O102 N10 Ce2 . . 57.62(16) no
O101 N10 Ce2 . . 59.89(16) no
O103 N10 Na1 . . 66.4(2) no
O102 N10 Na1 . . 167.4(2) no
O101 N10 Na1 . . 55.16(17) no
Ce2 N10 Na1 . . 114.43(11) no
O103 N10 OW1 . . 67.2(2) no
O102 N10 OW1 . . 126.4(2) no
O101 N10 OW1 . . 78.31(19) no
Ce2 N10 OW1 . . 114.51(10) no
Na1 N10 OW1 . . 45.18(7) no
O103 N10 OW2 . 1_565 64.0(2) no
O102 N10 OW2 . 1_565 57.88(18) no
O101 N10 OW2 . 1_565 175.2(2) no
Ce2 N10 OW2 . 1_565 115.49(11) no
Na1 N10 OW2 . 1_565 129.12(11) no
OW1 N10 OW2 . 1_565 103.37(11) no
N1 O11 Na3 . . 94.36(19) no
N1 O11 Ce1 . . 96.74(19) no
Na3 O11 Ce1 . . 161.56(11) no
N1 O12 Na1 . . 103.8(2) no
N1 O12 Ce1 . . 97.55(19) no
Na1 O12 Ce1 . . 151.82(13) no
N1 O12 OW1 . . 135.7(2) no
Na1 O12 OW1 . . 39.98(7) no
Ce1 O12 OW1 . . 112.15(9) no
N1 O13 Na3 . . 93.1(2) no
N1 O13 Na1 . . 86.4(2) no
Na3 O13 Na1 . . 156.61(13) no
N1 O13 OW1 . 1_545 132.1(2) no
Na3 O13 OW1 . 1_545 47.85(8) no
Na1 O13 OW1 . 1_545 140.98(10) no
N2 O21 Ce3 . . 96.44(19) no
N2 O21 Ce2 . . 97.21(19) no
Ce3 O21 Ce2 . . 165.70(10) no
N2 O23 Na4 . 1_565 95.36(19) no
N2 O23 Ce3 . . 97.78(19) no
Na4 O23 Ce3 1_565 . 160.06(12) no
N2 O23 OW2 . 4_556 81.77(18) no
Na4 O23 OW2 1_565 4_556 43.73(7) no
Ce3 O23 OW2 . 4_556 123.88(10) no
N2 O22 Na4 . 1_565 90.5(2) no
N2 O22 Ce2 . . 97.1(2) no
Na4 O22 Ce2 1_565 . 164.91(11) no
N2 O22 OW2 . 4_556 91.1(2) no
Na4 O22 OW2 1_565 4_556 46.52(7) no
Ce2 O22 OW2 . 4_556 119.98(10) no
N3 O33 Na1 . 4_556 93.56(19) no
N3 O33 Ce2 . . 95.92(19) no
Na1 O33 Ce2 4_556 . 164.52(11) no
N3 O32 Ce2 . . 97.58(18) no
N3 O32 Ce1 . . 96.55(18) no
Ce2 O32 Ce1 . . 165.46(9) no
N3 O31 Na1 . 4_556 96.66(19) no
N3 O31 Ce1 . . 96.99(19) no
Na1 O31 Ce1 4_556 . 165.35(11) no
N4 O41 Na3 . . 102.4(2) no
N4 O41 Ce2 . . 97.30(19) no
Na3 O41 Ce2 . . 159.01(11) no
N4 O43 Na3 . . 88.0(2) no
N4 O43 Na2 . . 89.7(2) no
Na3 O43 Na2 . . 177.68(12) no
N4 O43 OW1 . 1_545 127.3(3) no
Na3 O43 OW1 . 1_545 44.83(7) no
Na2 O43 OW1 . 1_545 136.97(11) no
N4 O43 OW2 . . 129.4(3) no
Na3 O43 OW2 . . 138.83(11) no
Na2 O43 OW2 . . 43.45(7) no
OW1 O43 OW2 1_545 . 103.16(10) no
N4 O42 Na2 . . 102.37(19) no
N4 O42 Ce2 . . 96.86(18) no
Na2 O42 Ce2 . . 160.49(12) no
N5 O51 Na4 . . 105.6(2) no
N5 O51 Ce3 . . 96.34(19) no
Na4 O51 Ce3 . . 157.56(12) no
N5 O52 Na2 . . 94.8(2) no
N5 O52 Ce3 . . 97.50(18) no
Na2 O52 Ce3 . . 166.98(12) no
N5 O53 Na2 . . 91.5(2) no
N5 O53 Na4 . . 84.4(2) no
Na2 O53 Na4 . . 165.00(14) no
N5 O53 OW2 . . 130.2(2) no
Na2 O53 OW2 . . 46.15(8) no
Na4 O53 OW2 . . 143.41(11) no
N6 O61 Ce3 . 3_655 98.1(2) no
N6 O61 OW2 . 3_645 104.1(2) no
Ce3 O61 OW2 3_655 3_645 157.73(11) no
N6 O62 Na2 . . 102.5(2) no
N6 O62 Ce3 . 3_655 96.18(19) no
Na2 O62 Ce3 . 3_655 153.29(12) no
N6 O62 OW2 . . 79.21(19) no
Na2 O62 OW2 . . 43.66(7) no
Ce3 O62 OW2 3_655 . 124.12(10) no
N6 O63 Na4 . 2_655 126.3(2) no
N6 O63 Na2 . . 87.7(2) no
Na4 O63 Na2 2_655 . 141.78(11) no
N6 O63 OW2 . 3_645 93.4(2) no
Na4 O63 OW2 2_655 3_645 46.91(8) no
Na2 O63 OW2 . 3_645 162.40(14) no
N6 O63 OW2 . . 90.3(2) no
Na4 O63 OW2 2_655 . 135.88(13) no
Na2 O63 OW2 . . 45.29(8) no
OW2 O63 OW2 3_645 . 117.11(11) no
N7 O71 Na3 . 1_565 100.6(2) no
N7 O71 Ce2 . . 98.75(19) no
Na3 O71 Ce2 1_565 . 156.46(12) no
N7 O71 OW1 . . 138.9(2) no
Na3 O71 OW1 1_565 . 40.75(6) no
Ce2 O71 OW1 . . 116.57(9) no
N7 O72 Ce2 . . 95.63(18) no
N7 O72 OW1 . 4_566 101.4(2) no
Ce2 O72 OW1 . 4_566 151.73(12) no
N7 O73 Na1 . 4_566 136.1(2) no
N7 O73 Na3 . 1_565 88.57(19) no
Na1 O73 Na3 4_566 1_565 135.23(12) no
N7 O73 OW1 . 4_566 90.81(19) no
Na1 O73 OW1 4_566 4_566 49.47(8) no
Na3 O73 OW1 1_565 4_566 155.01(12) no
N8 O81 Ce2 4_556 . 95.7(2) no
N8 O81 Na4 4_556 . 85.58(19) no
Ce2 O81 Na4 . . 162.53(12) no
N8 O82 Na2 4_556 4_556 94.8(2) no
N8 O82 Ce2 4_556 . 97.99(19) no
Na2 O82 Ce2 4_556 . 159.35(12) no
N8 O82 OW2 4_556 4_556 133.1(2) no
Na2 O82 OW2 4_556 4_556 43.77(8) no
Ce2 O82 OW2 . 4_556 117.24(10) no
N8 O83 Na4 . 4 101.8(2) no
N8 O83 Na2 . . 92.5(2) no
Na4 O83 Na2 4 . 151.55(14) no
N8 O83 OW2 . 1_565 128.5(2) no
Na4 O83 OW2 4 1_565 43.13(7) no
Na2 O83 OW2 . 1_565 137.23(10) no
N9 O91 Na3 2 1_565 112.0(2) no
N9 O91 Ce1 2 . 95.72(19) no
Na3 O91 Ce1 1_565 . 151.77(12) no
N9 O91 OW1 2 . 86.96(18) no
Na3 O91 OW1 1_565 . 47.85(7) no
Ce1 O91 OW1 . . 132.92(11) no
N9 O92 Ce1 . . 98.9(2) no
N9 O92 OW1 . 4_566 103.1(2) no
Ce1 O92 OW1 . 4_566 157.35(12) no
N9 O93 Na1 2 3_565 127.1(2) no
N9 O93 Na3 2 1_565 81.1(2) no
Na1 O93 Na3 3_565 1_565 146.17(11) no
N9 O93 OW1 2 . 87.4(2) no
Na1 O93 OW1 3_565 . 139.27(11) no
Na3 O93 OW1 1_565 . 44.24(7) no
N9 O93 OW1 2 3_565 93.3(2) no
Na1 O93 OW1 3_565 3_565 47.21(7) no
Na3 O93 OW1 1_565 3_565 163.76(12) no
OW1 O93 OW1 . 3_565 120.70(10) no
N10 O101 Na1 . . 100.6(2) no
N10 O101 Ce2 . . 95.18(19) no
Na1 O101 Ce2 . . 161.61(12) no
N10 O101 OW1 . . 79.1(2) no
Na1 O101 OW1 . . 47.70(7) no
Ce2 O101 OW1 . . 127.83(11) no
N10 O102 Ce2 . . 97.9(2) no
N10 O102 OW2 . 1_565 101.0(2) no
Ce2 O102 OW2 . 1_565 161.07(12) no
N10 O102 OW1 . . 39.40(18) no
Ce2 O102 OW1 . . 101.32(8) no
OW2 O102 OW1 1_565 . 94.01(9) no
N10 O103 Na1 . . 90.0(2) no
N10 O103 OW1 . . 90.8(2) no
Na1 O103 OW1 . . 49.41(8) no
N10 O103 OW2 . 1_565 95.2(2) no
Na1 O103 OW2 . 1_565 167.24(14) no
OW1 O103 OW2 . 1_565 118.72(13) no
Na3 OW1 Na1 1_565 . 131.82(12) no
Na3 OW1 O72 1_565 4_565 127.92(12) no
Na1 OW1 O72 . 4_565 92.25(10) no
Na3 OW1 O92 1_565 4_565 123.70(12) no
Na1 OW1 O92 . 4_565 91.18(10) no
Na3 OW1 O103 1_565 . 111.50(11) no
Na1 OW1 O103 . . 60.77(10) no
O72 OW1 O103 4_565 . 61.87(9) no
O92 OW1 O103 4_565 . 122.08(11) no
Na3 OW1 O13 1_565 1_565 54.52(8) no
Na1 OW1 O13 . 1_565 165.13(13) no
O13 OW1 O72 1_565 4_565 90.70(10) yes
O13 OW1 O92 1_565 4_565 76.03(10) yes
O72 OW1 O92 4_565 4_565 70.85(9) yes
O103 OW1 O13 . 1_565 132.68(12) no
Na3 OW1 O73 1_565 4_565 169.72(12) no
Na1 OW1 O73 . 4_565 53.68(8) no
O72 OW1 O73 4_565 4_565 42.60(8) no
O92 OW1 O73 4_565 4_565 60.68(9) no
O103 OW1 O73 . 4_565 62.04(9) no
O13 OW1 O73 1_565 4_565 122.85(10) no
Na3 OW1 O91 1_565 . 50.65(8) no
Na1 OW1 O91 . . 89.85(10) no
O72 OW1 O91 4_565 . 177.75(13) no
O92 OW1 O91 4_565 . 108.27(11) no
O103 OW1 O91 . . 120.00(11) no
O13 OW1 O91 1_565 . 87.10(9) no
O73 OW1 O91 4_565 . 138.97(11) no
Na3 OW1 O93 1_565 . 66.97(9) no
Na1 OW1 O93 . . 102.61(11) no
O72 OW1 O93 4_565 . 137.95(11) no
O92 OW1 O93 4_565 . 69.71(9) no
O103 OW1 O93 . . 157.62(12) no
O13 OW1 O93 1_565 . 66.11(9) no
O73 OW1 O93 4_565 . 122.25(11) no
O91 OW1 O93 . . 40.55(7) no
Na3 OW1 O93 1_565 3_565 125.75(11) no
Na1 OW1 O93 . 3_565 59.10(9) no
O72 OW1 O93 4_565 3_565 98.37(10) no
O92 OW1 O93 4_565 3_565 41.38(8) no
O103 OW1 O93 . 3_565 115.04(12) no
O13 OW1 O93 1_565 3_565 106.04(11) no
O73 OW1 O93 4_565 3_565 64.13(9) no
O91 OW1 O93 . 3_565 82.01(9) no
O93 OW1 O93 . 3_565 59.30(10) no
Na4 OW2 Na2 4_545 . 138.72(13) no
Na4 OW2 O102 4_545 1_545 105.26(12) no
Na2 OW2 O102 . 1_545 112.72(11) no
Na4 OW2 O61 4_545 3_645 88.67(11) no
Na2 OW2 O61 . 3_645 116.17(13) no
O61 OW2 O102 3_645 1_545 74.44(10) yes
Na4 OW2 O103 4_545 1_545 80.29(11) no
Na2 OW2 O103 . 1_545 118.45(12) no
O102 OW2 O103 1_545 1_545 41.94(8) no
O61 OW2 O103 3_645 1_545 107.03(12) no
Na4 OW2 O63 4_545 3_645 55.10(9) no
Na2 OW2 O63 . 3_645 124.42(13) no
O102 OW2 O63 1_545 3_645 105.91(11) no
O61 OW2 O63 3_645 3_645 41.10(7) no
O103 OW2 O63 1_545 3_645 117.05(12) no
Na4 OW2 O63 4_545 . 101.29(11) no
Na2 OW2 O63 . . 61.53(10) no
O102 OW2 O63 1_545 . 135.61(12) no
O61 OW2 O63 3_645 . 71.24(10) no
O103 OW2 O63 1_545 . 177.54(12) no
O63 OW2 O63 3_645 . 62.89(11) no
Na4 OW2 O22 4_545 4 52.61(9) no
Na2 OW2 O22 . 4 93.67(11) no
O102 OW2 O22 1_545 4 118.91(12) no
O61 OW2 O22 3_645 4 140.49(11) no
O103 OW2 O22 1_545 4 76.97(9) no
O63 OW2 O22 3_645 4 101.14(10) no
O63 OW2 O22 . 4 105.48(10) no
Na4 OW2 O53 4_545 . 160.04(14) no
Na2 OW2 O53 . . 49.97(8) no
O102 OW2 O53 1_545 . 78.11(10) no
O61 OW2 O53 3_645 . 73.10(10) no
O103 OW2 O53 1_545 . 112.35(11) no
O63 OW2 O53 3_645 . 104.94(11) no
O63 OW2 O53 . . 65.61(9) no
O22 OW2 O53 4 . 143.16(12) no
Na4 OW2 N10 4_545 1_545 92.92(11) no
Na2 OW2 N10 . 1_545 117.37(11) no
O102 OW2 N10 1_545 1_545 21.15(7) no
O61 OW2 N10 3_645 1_545 91.02(10) no
O103 OW2 N10 1_545 1_545 20.79(7) no
O63 OW2 N10 3_645 1_545 113.18(11) no
O63 OW2 N10 . 1_545 156.76(12) no
O22 OW2 N10 4 1_545 97.76(10) no
O53 OW2 N10 . 1_545 95.41(10) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ce1 O11 . 2.623(3) yes
Ce1 O11 2 2.623(3) yes
Ce1 O12 . 2.611(3) yes
Ce1 O12 2 2.611(3) yes
Ce1 O31 . 2.713(3) yes
Ce1 O31 2 2.713(3) yes
Ce1 O32 . 2.704(2) yes
Ce1 O32 2 2.704(2) yes
Ce1 O91 . 2.646(3) yes
Ce1 O91 2 2.646(3) yes
Ce1 O92 . 2.578(3) yes
Ce1 O92 2 2.578(3) yes
Ce2 O21 . 2.721(3) yes
Ce2 O22 . 2.744(3) yes
Ce2 O32 . 2.667(2) yes
Ce2 O33 . 2.722(3) yes
Ce2 O41 . 2.592(3) yes
Ce2 O42 . 2.609(2) yes
Ce2 O71 . 2.588(2) yes
Ce2 O72 . 2.654(3) yes
Ce2 O81 . 2.659(3) yes
Ce2 O82 . 2.600(3) yes
Ce2 O101 . 2.616(3) yes
Ce2 O102 . 2.567(3) yes
Ce3 O21 . 2.691(2) yes
Ce3 O21 2_655 2.691(2) yes
Ce3 O23 . 2.681(3) yes
Ce3 O23 2_655 2.681(3) yes
Ce3 O51 . 2.601(3) yes
Ce3 O51 2_655 2.601(3) yes
Ce3 O52 . 2.584(2) yes
Ce3 O52 2_655 2.584(2) yes
Ce3 O61 4_556 2.624(3) yes
Ce3 O61 3_655 2.624(3) yes
Ce3 O62 4_556 2.663(3) yes
Ce3 O62 3_655 2.663(3) yes
Na1 O12 . 2.511(3) yes
Na1 O13 . 2.891(3) yes
Na1 O31 4 2.655(3) yes
Na1 O33 4 2.722(3) yes
Na1 O73 4_565 2.576(3) yes
Na1 O93 3_565 2.839(3) yes
Na1 O101 . 2.543(3) yes
Na1 O103 . 2.790(4) yes
Na1 OW1 . 2.429(3) yes
Na1 N10 . 3.046(4) no
Na1 N3 4 3.058(3) no
Na1 Na3 1_565 4.364(2) no
Na2 O42 . 2.590(3) yes
Na2 O43 . 2.875(4) yes
Na2 O52 . 2.447(3) yes
Na2 O53 . 2.544(3) yes
Na2 O62 . 2.637(3) yes
Na2 O63 . 2.964(4) yes
Na2 O82 4 2.459(3) yes
Na2 O83 . 2.530(3) yes
Na2 OW2 . 2.395(3) yes
Na2 N5 . 2.847(3) no
Na2 N8 . 2.861(3) no
Na3 O11 . 2.535(3) yes
Na3 O13 . 2.585(3) yes
Na3 O41 . 2.510(3) yes
Na3 O43 . 2.839(3) yes
Na3 O71 1_545 2.431(3) yes
Na3 O73 1_545 2.701(3) yes
Na3 O91 1_545 2.455(3) yes
Na3 O93 1_545 3.104(3) yes
Na3 OW1 1_545 2.351(3) yes
Na3 N1 . 2.919(3) no
Na3 N7 1_545 2.940(3) no
Na3 N4 . 3.050(4) no
Na4 O22 1_545 2.615(3) yes
Na4 O23 1_545 2.509(3) yes
Na4 O51 . 2.399(3) yes
Na4 O53 . 2.869(3) yes
Na4 O63 2_655 2.678(4) yes
Na4 O81 . 2.756(3) yes
Na4 O83 4_556 2.428(3) yes
Na4 OW2 4_546 2.386(3) yes
Na4 N2 1_545 2.901(3) no
Na4 N8 4_556 2.937(4) no
Na4 N5 . 3.005(3) no
N1 O11 . 1.267(4) no
N1 O12 . 1.259(4) no
N1 O13 . 1.226(4) no
N1 OW1 1_545 4.026(4) no
N2 O21 . 1.274(4) no
N2 O22 . 1.236(3) no
N2 O23 . 1.242(4) no
N2 Na4 1_565 2.901(3) no
N2 OW2 4_556 3.498(4) no
N3 O31 . 1.243(3) no
N3 O32 . 1.274(3) no
N3 O33 . 1.238(4) no
N3 Na1 4_556 3.058(3) no
N4 O41 . 1.276(4) no
N4 O42 . 1.262(4) no
N4 O43 . 1.215(4) no
N4 OW1 1_545 4.101(4) no
N5 O51 . 1.277(4) no
N5 O52 . 1.265(4) no
N5 O53 . 1.217(4) no
N5 OW2 . 4.193(4) no
N6 O61 . 1.263(4) no
N6 O62 . 1.267(4) no
N6 O63 . 1.230(4) no
N6 OW2 . 3.459(4) no
N6 OW2 3_645 3.493(4) no
N7 O71 . 1.265(3) no
N7 O72 . 1.265(4) no
N7 O73 . 1.228(4) no
N7 Na3 1_565 2.940(3) no
N7 OW1 4_566 3.361(4) no
N8 O81 4 1.253(4) no
N8 O82 4 1.271(4) no
N8 O83 . 1.230(4) no
N8 Na4 4 2.937(4) no
N9 O91 2 1.266(4) no
N9 O92 . 1.270(4) no
N9 O93 2 1.222(4) no
N9 Na3 2_565 3.155(3) no
N9 OW1 2 3.321(4) no
N9 OW1 4_566 3.467(4) no
N10 O101 . 1.274(4) no
N10 O102 . 1.258(4) no
N10 O103 . 1.220(4) no
N10 OW1 . 3.256(4) no
N10 OW2 1_565 3.423(4) no
O12 OW1 . 3.739(4) no
O13 OW1 1_545 3.100(4) no
O23 Na4 1_565 2.508(3) no
O23 OW2 4_556 3.453(4) no
O22 Na4 1_565 2.614(3) no
O22 OW2 4_556 3.248(4) no
O33 Na1 4_556 2.721(3) no
O31 Na1 4_556 2.654(3) no
O43 OW1 1_545 3.249(4) no
O43 OW2 . 3.440(4) no
O53 OW2 . 3.303(4) no
O61 Ce3 3_655 2.624(3) no
O61 OW2 3_645 2.962(4) no
O62 Ce3 3_655 2.662(3) no
O62 OW2 . 3.465(4) no
O63 Na4 2_655 2.680(4) no
O63 OW2 3_645 3.197(4) no
O63 OW2 . 3.226(4) no
O71 Na3 1_565 2.431(3) no
O71 OW1 . 3.579(4) no
O72 OW1 4_566 2.873(3) no
O73 Na1 4_566 2.574(3) no
O73 Na3 1_565 2.702(3) no
O73 OW1 4_566 3.111(4) no
O81 N8 4_556 1.253(4) no
O82 N8 4_556 1.271(4) no
O82 Na2 4_556 2.460(3) no
O82 OW2 4_556 3.462(4) no
O83 Na4 4 2.428(3) no
O83 OW2 1_565 3.487(4) no
O91 N9 2 1.266(4) no
O91 Na3 1_565 2.454(3) no
O91 OW1 . 3.138(3) no
O92 OW1 4_566 2.951(4) no
O93 N9 2 1.222(4) no
O93 Na1 3_565 2.839(3) no
O93 Na3 1_565 3.103(3) no
O93 OW1 . 3.143(4) no
O93 OW1 3_565 3.176(4) no
O101 OW1 . 3.247(4) no
O102 OW2 1_565 2.953(4) no
O102 OW1 . 4.129(4) no
O103 OW1 . 3.002(4) no
O103 OW2 1_565 3.090(4) no
OW1 Na3 1_565 2.352(3) no
OW1 O13 1_565 3.099(4) yes
OW1 O72 4_565 2.873(3) yes
OW1 O92 4_565 2.952(4) yes
OW1 O73 4_565 3.111(4) no
OW1 O93 3_565 3.176(4) no
OW2 Na4 4_545 2.387(3) no
OW2 O61 3_645 2.964(4) yes
OW2 O102 1_545 2.954(4) yes
OW2 O103 1_545 3.090(4) no
OW2 O63 3_645 3.197(4) no
OW2 O22 4 3.248(4) no
OW2 N10 1_545 3.423(4) no
