#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/20/2212049.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_2212049
loop_
_publ_author_name
'Lu, Hui'
'Fu, Yun-Long'
'Yang, Jun-Ying'
'Ng, Seik Weng'
_publ_section_title
;
 Tetrasodium(I) pentaoxalatodicerate(III) dihydrate
;
_journal_coeditor_code           BT2223
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m319
_journal_page_last               m320
_journal_paper_doi               10.1107/S1600536806054560
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Na4 (H2 O)2] [Ce2 (C2 O4)5]'
_chemical_formula_moiety         'H4 Na4 O2 4+, C10 Ce2 O20 4-'
_chemical_formula_sum            'C10 H4 Ce2 Na4 O22'
_chemical_formula_weight         848.33
_chemical_name_systematic
;
Diaquatetrasodium(I) pentaoxalatodicerate(III)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 101.0300(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.8378(6)
_cell_length_b                   11.6470(10)
_cell_length_c                   11.9380(10)
_cell_measurement_reflns_used    3229
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.4
_cell_measurement_theta_min      2.5
_cell_volume                     1069.65(15)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2006)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.97
_diffrn_measured_fraction_theta_max 0.97
_diffrn_measurement_device_type  'Bruker APEX area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0363
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6885
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.9
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.393
_exptl_absorpt_correction_T_max  0.810
_exptl_absorpt_correction_T_min  0.578
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    2.634
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.89
_refine_diff_density_min         -0.71
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.08
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     180
_refine_ls_number_reflns         2369
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.08
_refine_ls_R_factor_all          0.031
_refine_ls_R_factor_gt           0.026
_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)+(0.05P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.064
_refine_ls_wR_factor_ref         0.083
_reflns_number_gt                2131
_reflns_number_total             2369
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt2223.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1069.7(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2212049
_cod_database_fobs_code          2212049
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_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
Ce Ce1 0.62360(3) 0.314478(18) 0.326801(18) 0.01004(11) Uani d . 1
Na Na1 0.8585(2) 0.29535(17) 0.07326(16) 0.0241(4) Uani d . 1
Na Na2 0.8855(2) 0.68800(16) 0.66598(15) 0.0207(5) Uani d . 1
O O1 0.7047(4) 0.4783(3) 0.4669(3) 0.0242(7) Uani d . 1
O O2 0.6146(4) 0.6175(2) 0.5689(3) 0.0158(6) Uani d . 1
O O3 0.5317(4) 0.5063(3) 0.2363(3) 0.0231(7) Uani d . 1
O O4 0.6375(4) 0.6850(2) 0.2482(3) 0.0177(7) Uani d . 1
O O5 0.8592(4) 0.4268(2) 0.2458(3) 0.0163(6) Uani d . 1
O O6 0.9360(4) 0.6014(3) 0.1978(3) 0.0235(7) Uani d . 1
O O7 0.5847(4) 0.2815(3) 0.1135(3) 0.0224(7) Uani d . 1
O O8 0.4204(4) 0.2178(3) -0.0465(3) 0.0210(7) Uani d . 1
O O9 0.3026(4) 0.2976(3) 0.2079(3) 0.0199(7) Uani d . 1
O O10 0.1362(4) 0.2762(3) 0.0343(3) 0.0224(7) Uani d . 1
O O1w 0.7657(5) 0.3901(3) -0.0993(3) 0.0350(9) Uani d D 1
H H1 0.675(6) 0.427(7) -0.130(6) 0.10(3) Uiso d D 1
H H2 0.849(6) 0.409(8) -0.132(6) 0.11(4) Uiso d D 1
C C1 0.5909(5) 0.5269(3) 0.5100(4) 0.0152(9) Uani d . 1
C C2 0.6512(5) 0.5786(4) 0.2385(4) 0.0153(9) Uani d . 1
C C3 0.8321(5) 0.5316(3) 0.2274(3) 0.0108(8) Uani d . 1
C C4 0.4405(6) 0.2563(4) 0.0520(3) 0.0144(8) Uani d . 1
C C5 0.2791(5) 0.2784(4) 0.1027(4) 0.0142(8) Uani d . 1
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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -0.2486 2.6331 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O3 Ce1 O6 . 2_645 141.83(11)
O3 Ce1 O7 . . 74.63(11)
O6 Ce1 O7 2_645 . 75.57(11)
O3 Ce1 O1 . . 68.39(11)
O6 Ce1 O1 2_645 . 146.21(11)
O7 Ce1 O1 . . 138.00(11)
O3 Ce1 O8 . 4_666 122.51(11)
O6 Ce1 O8 2_645 4_666 92.97(11)
O7 Ce1 O8 . 4_666 119.64(10)
O1 Ce1 O8 . 4_666 68.55(11)
O3 Ce1 O2 . 3_666 76.07(10)
O6 Ce1 O2 2_645 3_666 102.96(10)
O7 Ce1 O2 . 3_666 125.22(10)
O1 Ce1 O2 . 3_666 63.93(10)
O8 Ce1 O2 4_666 3_666 115.14(10)
O3 Ce1 O5 . . 63.88(10)
O6 Ce1 O5 2_645 . 125.41(9)
O7 Ce1 O5 . . 70.10(10)
O1 Ce1 O5 . . 76.13(10)
O8 Ce1 O5 4_666 . 70.24(10)
O2 Ce1 O5 3_666 . 131.45(9)
O3 Ce1 O9 . . 70.89(10)
O6 Ce1 O9 2_645 . 74.32(10)
O7 Ce1 O9 . . 62.05(10)
O1 Ce1 O9 . . 120.10(10)
O8 Ce1 O9 4_666 . 166.58(11)
O2 Ce1 O9 3_666 . 64.99(10)
O5 Ce1 O9 . . 120.54(10)
O3 Ce1 O10 . 4_666 134.57(11)
O6 Ce1 O10 2_645 4_666 72.18(11)
O7 Ce1 O10 . 4_666 147.72(11)
O1 Ce1 O10 . 4_666 74.13(11)
O8 Ce1 O10 4_666 4_666 61.62(10)
O2 Ce1 O10 3_666 4_666 64.76(10)
O5 Ce1 O10 . 4_666 129.83(9)
O9 Ce1 O10 . 4_666 109.24(10)
O3 Ce1 O4 . 2_645 120.92(10)
O6 Ce1 O4 2_645 2_645 62.36(9)
O7 Ce1 O4 . 2_645 62.47(10)
O1 Ce1 O4 . 2_645 122.63(10)
O8 Ce1 O4 4_666 2_645 60.01(11)
O2 Ce1 O4 3_666 2_645 162.77(10)
O5 Ce1 O4 . 2_645 64.44(9)
O9 Ce1 O4 . 2_645 115.50(10)
O10 Ce1 O4 4_666 2_645 100.48(10)
O7 Na1 O10 . 1_655 170.43(16)
O7 Na1 O1w . . 94.14(15)
O10 Na1 O1w 1_655 . 90.83(15)
O7 Na1 O4 . 2_645 69.03(12)
O10 Na1 O4 1_655 2_645 105.32(13)
O1w Na1 O4 . 2_645 162.77(15)
O7 Na1 O5 . . 74.46(12)
O10 Na1 O5 1_655 . 111.12(13)
O1w Na1 O5 . . 112.32(15)
O4 Na1 O5 2_645 . 67.81(11)
O7 Na1 O2 . 2_645 105.38(13)
O10 Na1 O2 1_655 2_645 67.24(11)
O1w Na1 O2 . 2_645 81.76(13)
O4 Na1 O2 2_645 2_645 98.75(11)
O5 Na1 O2 . 2_645 165.92(12)
O8 Na2 O9 2_655 3_666 167.01(16)
O8 Na2 O2 2_655 . 112.76(13)
O9 Na2 O2 3_666 . 73.65(12)
O8 Na2 O5 2_655 3_766 76.60(12)
O9 Na2 O5 3_666 3_766 109.16(13)
O2 Na2 O5 . 3_766 126.86(12)
O8 Na2 O4 2_655 4_676 65.80(12)
O9 Na2 O4 3_666 4_676 104.79(13)
O2 Na2 O4 . 4_676 164.10(13)
O5 Na2 O4 3_766 4_676 68.89(11)
O8 Na2 O1w 2_655 2_655 89.47(13)
O9 Na2 O1w 3_666 2_655 80.14(13)
O2 Na2 O1w . 2_655 81.66(12)
O5 Na2 O1w 3_766 2_655 151.24(13)
O4 Na2 O1w 4_676 2_655 82.48(12)
C1 O1 Ce1 . . 120.3(3)
C1 O2 Na2 . . 125.9(3)
C1 O2 Ce1 . 3_666 119.1(3)
Na2 O2 Ce1 . 3_666 108.93(11)
C1 O2 Na1 . 2_655 108.1(3)
Na2 O2 Na1 . 2_655 82.60(10)
Ce1 O2 Na1 3_666 2_655 102.66(11)
C2 O3 Ce1 . . 115.7(3)
C2 O4 Na1 . 2_655 127.2(3)
C2 O4 Na2 . 4_575 128.5(3)
Na1 O4 Na2 2_655 4_575 84.84(11)
C2 O4 Ce1 . 2_655 116.6(3)
Na1 O4 Ce1 2_655 2_655 95.76(11)
Na2 O4 Ce1 4_575 2_655 94.88(10)
C3 O5 Na2 . 3_766 134.4(3)
C3 O5 Na1 . . 117.8(3)
Na2 O5 Na1 3_766 . 84.04(11)
C3 O5 Ce1 . . 116.6(3)
Na2 O5 Ce1 3_766 . 98.29(11)
Na1 O5 Ce1 . . 96.08(10)
C3 O6 Ce1 . 2_655 123.7(3)
C4 O7 Na1 . . 131.8(3)
C4 O7 Ce1 . . 122.9(3)
Na1 O7 Ce1 . . 105.20(12)
C4 O8 Na2 . 2_645 131.5(3)
C4 O8 Ce1 . 4_565 123.5(3)
Na2 O8 Ce1 2_645 4_565 104.26(13)
C5 O9 Na2 . 3_666 132.6(3)
C5 O9 Ce1 . . 119.5(3)
Na2 O9 Ce1 3_666 . 107.77(13)
C5 O10 Na1 . 1_455 128.5(3)
C5 O10 Ce1 . 4_565 118.8(3)
Na1 O10 Ce1 1_455 4_565 110.69(13)
Na1 O1w Na2 . 2_645 83.83(13)
Na1 O1w H1 . . 135(5)
Na2 O1w H1 2_645 . 91(6)
Na1 O1w H2 . . 113(5)
Na2 O1w H2 2_645 . 115(7)
H1 O1w H2 . . 109.4(18)
O1 C1 O2 . . 124.7(4)
O1 C1 C1 . 3_666 117.8(5)
O2 C1 C1 . 3_666 117.5(5)
O4 C2 O3 . . 126.1(4)
O4 C2 C3 . . 117.0(4)
O3 C2 C3 . . 116.9(4)
O6 C3 O5 . . 126.0(4)
O6 C3 C2 . . 116.8(4)
O5 C3 C2 . . 117.2(4)
O8 C4 O7 . . 125.1(4)
O8 C4 C5 . . 118.2(4)
O7 C4 C5 . . 116.7(4)
O10 C5 O9 . . 126.7(4)
O10 C5 C4 . . 116.3(4)
O9 C5 C4 . . 117.0(4)
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 O1 . 2.537(3) yes
Ce1 O2 3_666 2.560(3) yes
Ce1 O3 . 2.526(3) yes
Ce1 O4 2_645 2.688(3) yes
Ce1 O5 . 2.596(3) yes
Ce1 O6 2_645 2.532(3) yes
Ce1 O7 . 2.535(3) yes
Ce1 O8 4_666 2.548(3) yes
Ce1 O9 . 2.649(3) yes
Ce1 O10 4_666 2.677(3) yes
Na1 O7 . 2.293(4) ?
Na1 O10 1_655 2.322(4) ?
Na1 O1w . 2.327(4) ?
Na1 O4 2_645 2.484(4) ?
Na1 O5 . 2.566(4) ?
Na1 O2 2_645 2.712(4) ?
Na2 O8 2_655 2.302(4) ?
Na2 O9 3_666 2.306(4) ?
Na2 O2 . 2.363(3) ?
Na2 O5 3_766 2.469(3) ?
Na2 O4 4_676 2.512(3) ?
Na2 O1w 2_655 2.687(5) ?
O1 C1 . 1.247(5) ?
O2 C1 . 1.261(5) ?
O3 C2 . 1.256(5) ?
O4 C2 . 1.250(5) ?
O5 C3 . 1.251(5) ?
O6 C3 . 1.249(5) ?
O7 C4 . 1.259(5) ?
O8 C4 . 1.240(5) ?
O9 C5 . 1.254(5) ?
O10 C5 . 1.254(5) ?
O1w H1 . 0.850(10) ?
O1w H2 . 0.850(10) ?
C1 C1 3_666 1.534(8) ?
C2 C3 . 1.550(6) ?
C4 C5 . 1.525(6) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O1w H1 O3 3_665 0.850(10) 2.02(2) 2.848(5) 166(8) yes
O1w H2 O6 3_765 0.850(10) 1.99(3) 2.813(5) 161(8) yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O3 Ce1 O1 C1 . . 75.1(3)
O6 Ce1 O1 C1 2_645 . -83.1(4)
O7 Ce1 O1 C1 . . 105.1(3)
O8 Ce1 O1 C1 4_666 . -144.0(3)
O2 Ce1 O1 C1 3_666 . -9.5(3)
O5 Ce1 O1 C1 . . 142.1(3)
O9 Ce1 O1 C1 . . 24.6(4)
O10 Ce1 O1 C1 4_666 . -78.8(3)
O4 Ce1 O1 C1 2_645 . -171.2(3)
O8 Na2 O2 C1 2_655 . 57.4(4)
O9 Na2 O2 C1 3_666 . -134.6(4)
O5 Na2 O2 C1 3_766 . -32.6(4)
O4 Na2 O2 C1 4_676 . 138.8(5)
O1w Na2 O2 C1 2_655 . 143.3(4)
O8 Na2 O2 Ce1 2_655 3_666 -150.49(13)
O9 Na2 O2 Ce1 3_666 3_666 17.51(12)
O5 Na2 O2 Ce1 3_766 3_666 119.49(14)
O4 Na2 O2 Ce1 4_676 3_666 -69.1(5)
O1w Na2 O2 Ce1 2_655 3_666 -64.60(13)
O8 Na2 O2 Na1 2_655 2_655 -49.59(14)
O9 Na2 O2 Na1 3_666 2_655 118.40(12)
O5 Na2 O2 Na1 3_766 2_655 -139.61(14)
O4 Na2 O2 Na1 4_676 2_655 31.8(5)
O1w Na2 O2 Na1 2_655 2_655 36.30(11)
Na1 Na2 O2 Na1 3_766 2_655 151.77(14)
O7 Ce1 O3 C2 . . -102.2(3)
O1 Ce1 O3 C2 . . 57.5(3)
O8 Ce1 O3 C2 4_666 . 13.4(4)
O2 Ce1 O3 C2 3_666 . 124.6(3)
O5 Ce1 O3 C2 . . -27.2(3)
O9 Ce1 O3 C2 . . -167.4(3)
O10 Ce1 O3 C2 4_666 . 94.0(3)
O4 Ce1 O3 C2 2_645 . -58.5(3)
O7 Na1 O5 C3 . . -96.5(3)
O10 Na1 O5 C3 1_655 . 91.7(3)
O1w Na1 O5 C3 . . -8.4(3)
O4 Na1 O5 C3 2_645 . -169.8(3)
O2 Na1 O5 C3 2_645 . 172.2(4)
Na2 Na1 O5 C3 2_645 . -64.6(3)
Na2 Na1 O5 C3 3_766 . 137.8(3)
O10 Na1 O5 Na2 1_655 3_766 -46.10(14)
O1w Na1 O5 Na2 . 3_766 -146.19(14)
O4 Na1 O5 Na2 2_645 3_766 52.43(11)
O2 Na1 O5 Na2 2_645 3_766 34.4(5)
O7 Na1 O5 Ce1 . . 27.97(11)
O10 Na1 O5 Ce1 1_655 . -143.84(12)
O1w Na1 O5 Ce1 . . 116.07(14)
O4 Na1 O5 Ce1 2_645 . -45.31(11)
O2 Na1 O5 Ce1 2_645 . -63.3(5)
O3 Ce1 O5 C3 . . 17.4(3)
O6 Ce1 O5 C3 2_645 . 154.0(3)
O7 Ce1 O5 C3 . . 99.6(3)
O1 Ce1 O5 C3 . . -55.0(3)
O8 Ce1 O5 C3 4_666 . -126.9(3)
O2 Ce1 O5 C3 3_666 . -20.3(3)
O9 Ce1 O5 C3 . . 62.0(3)
O10 Ce1 O5 C3 4_666 . -110.1(3)
O4 Ce1 O5 C3 2_645 . 167.8(3)
O3 Ce1 O5 Na2 . 3_766 167.25(15)
O6 Ce1 O5 Na2 2_645 3_766 -56.22(16)
O7 Ce1 O5 Na2 . 3_766 -110.59(13)
O1 Ce1 O5 Na2 . 3_766 94.80(12)
O8 Ce1 O5 Na2 4_666 3_766 22.95(11)
O2 Ce1 O5 Na2 3_666 3_766 129.50(11)
O9 Ce1 O5 Na2 . 3_766 -148.19(10)
O10 Ce1 O5 Na2 4_666 3_766 39.75(17)
O4 Ce1 O5 Na2 2_645 3_766 -42.41(11)
O3 Ce1 O5 Na1 . . -107.92(13)
O6 Ce1 O5 Na1 2_645 . 28.61(16)
O7 Ce1 O5 Na1 . . -25.76(11)
O1 Ce1 O5 Na1 . . 179.63(13)
O8 Ce1 O5 Na1 4_666 . 107.78(13)
O2 Ce1 O5 Na1 3_666 . -145.67(11)
O9 Ce1 O5 Na1 . . -63.36(13)
O10 Ce1 O5 Na1 4_666 . 124.58(13)
O4 Ce1 O5 Na1 2_645 . 42.42(11)
O10 Na1 O7 C4 1_655 . -78.5(10)
O1w Na1 O7 C4 . . 42.6(4)
O4 Na1 O7 C4 2_645 . -133.6(4)
O5 Na1 O7 C4 . . 154.6(4)
O2 Na1 O7 C4 2_645 . -40.0(4)
O10 Na1 O7 Ce1 1_655 . 97.2(8)
O1w Na1 O7 Ce1 . . -141.69(15)
O4 Na1 O7 Ce1 2_645 . 42.09(12)
O5 Na1 O7 Ce1 . . -29.66(12)
O2 Na1 O7 Ce1 2_645 . 135.73(12)
O3 Ce1 O7 C4 . . -86.4(4)
O6 Ce1 O7 C4 2_645 . 69.4(3)
O1 Ce1 O7 C4 . . -115.3(3)
O8 Ce1 O7 C4 4_666 . 154.6(3)
O2 Ce1 O7 C4 3_666 . -26.4(4)
O5 Ce1 O7 C4 . . -153.7(4)
O9 Ce1 O7 C4 . . -10.2(3)
O10 Ce1 O7 C4 4_666 . 71.6(4)
O4 Ce1 O7 C4 2_645 . 135.5(4)
O3 Ce1 O7 Na1 . . 97.36(15)
O6 Ce1 O7 Na1 2_645 . -106.77(15)
O1 Ce1 O7 Na1 . . 68.5(2)
O8 Ce1 O7 Na1 4_666 . -21.64(19)
O2 Ce1 O7 Na1 3_666 . 157.39(12)
O5 Ce1 O7 Na1 . . 30.07(12)
O9 Ce1 O7 Na1 . . 173.57(19)
O10 Ce1 O7 Na1 4_666 . -104.56(19)
O4 Ce1 O7 Na1 2_645 . -40.73(12)
O3 Ce1 O9 C5 . . 84.1(3)
O6 Ce1 O9 C5 2_645 . -80.0(3)
O7 Ce1 O9 C5 . . 1.7(3)
O1 Ce1 O9 C5 . . 133.4(3)
O8 Ce1 O9 C5 4_666 . -99.1(5)
O2 Ce1 O9 C5 3_666 . 167.2(3)
O5 Ce1 O9 C5 . . 42.2(3)
O10 Ce1 O9 C5 4_666 . -144.2(3)
O4 Ce1 O9 C5 2_645 . -31.9(3)
O3 Ce1 O9 Na2 . 3_666 -99.53(15)
O6 Ce1 O9 Na2 2_645 3_666 96.44(14)
O7 Ce1 O9 Na2 . 3_666 178.15(18)
O1 Ce1 O9 Na2 . 3_666 -50.19(17)
O8 Ce1 O9 Na2 4_666 3_666 77.3(4)
O2 Ce1 O9 Na2 3_666 3_666 -16.40(12)
O5 Ce1 O9 Na2 . 3_666 -141.35(12)
O10 Ce1 O9 Na2 4_666 3_666 32.20(16)
O4 Ce1 O9 Na2 2_645 3_666 144.54(12)
O10 Na1 O1w Na2 1_655 2_645 103.69(13)
O4 Na1 O1w Na2 2_645 2_645 -56.1(6)
O5 Na1 O1w Na2 . 2_645 -143.01(12)
O2 Na1 O1w Na2 2_645 2_645 36.84(10)
Ce1 O1 C1 O2 . . -170.8(3)
Ce1 O1 C1 C1 . 3_666 9.1(6)
Na2 O2 C1 O1 . . -21.5(6)
Ce1 O2 C1 O1 3_666 . -171.0(3)
Na1 O2 C1 O1 2_655 . 72.5(4)
Na2 O2 C1 C1 . 3_666 158.6(3)
Ce1 O2 C1 C1 3_666 3_666 9.0(6)
Na1 O2 C1 C1 2_655 3_666 -107.4(4)
Na1 O4 C2 O3 2_655 . 80.6(5)
Na2 O4 C2 O3 4_575 . -36.6(6)
Ce1 O4 C2 O3 2_655 . -157.9(3)
Na1 O4 C2 C3 2_655 . -99.8(4)
Na2 O4 C2 C3 4_575 . 142.9(3)
Ce1 O4 C2 C3 2_655 . 21.6(5)
Ce1 O3 C2 O4 . . -146.0(4)
Ce1 O3 C2 C3 . . 34.5(5)
Ce1 O6 C3 O5 2_655 . -176.4(3)
Ce1 O6 C3 C2 2_655 . 5.6(5)
Na2 O5 C3 O6 3_766 . 37.8(7)
Na1 O5 C3 O6 . . -72.8(5)
Ce1 O5 C3 O6 . . 173.6(3)
Na2 O5 C3 C2 3_766 . -144.2(3)
Na1 O5 C3 C2 . . 105.1(4)
Ce1 O5 C3 C2 . . -8.4(5)
O4 C2 C3 O6 . . -19.0(6)
O3 C2 C3 O6 . . 160.6(4)
O4 C2 C3 O5 . . 162.9(4)
O3 C2 C3 O5 . . -17.6(6)
Na2 O8 C4 O7 2_645 . -5.5(7)
Ce1 O8 C4 O7 4_565 . -174.2(3)
Na2 O8 C4 C5 2_645 . 172.8(3)
Ce1 O8 C4 C5 4_565 . 4.0(6)
Na1 O7 C4 O8 . . 10.0(7)
Ce1 O7 C4 O8 . . -165.1(3)
Na1 O7 C4 C5 . . -168.3(3)
Ce1 O7 C4 C5 . . 16.6(5)
Na1 O10 C5 O9 1_455 . -3.9(7)
Ce1 O10 C5 O9 4_565 . -165.9(3)
Na1 O10 C5 C4 1_455 . 176.5(3)
Ce1 O10 C5 C4 4_565 . 14.6(5)
Na2 O9 C5 O10 3_666 . 10.0(7)
Ce1 O9 C5 O10 . . -174.7(4)
Na2 O9 C5 C4 3_666 . -170.4(3)
Ce1 O9 C5 C4 . . 4.9(5)
O8 C4 C5 O10 . . -12.7(6)
O7 C4 C5 O10 . . 165.7(4)
O8 C4 C5 O9 . . 167.7(4)
O7 C4 C5 O9 . . -13.9(6)
