#------------------------------------------------------------------------------
#$Date: 2015-06-05 03:01:41 +0300 (Fri, 05 Jun 2015) $
#$Revision: 138042 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/29/4512902.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_4512902
loop_
_publ_author_name
'D’Vries, Richard F.'
'Camps, Ihosvany'
'Ellena, Javier'
_publ_section_title
;
 Exploring the System Lanthanide/Succinate in the Formation of Porous
 Metal--Organic Frameworks: Experimental and Theoretical Study
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3015
_journal_paper_doi               10.1021/acs.cgd.5b00426
_journal_volume                  15
_journal_year                    2015
_chemical_formula_moiety         'C12 H16 La2 O14'
_chemical_formula_sum            'C12 H16 La2 O14'
_chemical_formula_weight         662.07
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                112.01(2)
_cell_angle_beta                 90.05(3)
_cell_angle_gamma                100.58(5)
_cell_formula_units_Z            2
_cell_length_a                   7.976(8)
_cell_length_b                   12.006(14)
_cell_length_c                   12.284(10)
_cell_measurement_reflns_used    4630
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      2.91
_cell_volume                     1068.9(19)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_UB_11      -0.090809
_diffrn_orient_matrix_UB_12      -0.01372
_diffrn_orient_matrix_UB_13      -0.062403
_diffrn_orient_matrix_UB_21      0.086841
_diffrn_orient_matrix_UB_22      -0.012381
_diffrn_orient_matrix_UB_23      -0.059905
_diffrn_orient_matrix_UB_31      -0.023999
_diffrn_orient_matrix_UB_32      -0.089777
_diffrn_orient_matrix_UB_33      -0.016492
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_laue_measured_fraction_full 1
_diffrn_reflns_laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       10.00000
_diffrn_reflns_limit_h_min       0.000000
_diffrn_reflns_limit_k_max       15.00000
_diffrn_reflns_limit_k_min       -15.0000
_diffrn_reflns_limit_l_max       15.00000
_diffrn_reflns_limit_l_min       -16.0000
_diffrn_reflns_number            0
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.868
_diffrn_reflns_theta_min         1.793
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    4.005
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    2.057
_exptl_crystal_description       Needle
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.030
_refine_diff_density_max         1.050
_refine_diff_density_min         -2.070
_refine_diff_density_rms         0.279
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.944
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         5027
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.944
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0507
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0896P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1343
_refine_ls_wR_factor_ref         0.1555
_reflns_number_gt                3009
_reflns_number_total             5027
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cg5b00426_si_002.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 4512902--4512966.cif.'
_cod_database_code               4512902
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.730
_shelx_estimated_absorpt_t_max   0.885
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1 C 0.6352(11) 0.1398(8) 1.0223(8) 0.034(2) Uani 1 1 d . .
C2 C 0.6153(11) 0.1731(9) 1.1520(8) 0.038(2) Uani 1 1 d . .
H2A H 0.5345 0.1075 1.1624 0.045 Uiso 1 1 calc R U
H2B H 0.5672 0.2465 1.1817 0.045 Uiso 1 1 calc R U
C3 C 0.7854(11) 0.1959(8) 1.2270(8) 0.036(2) Uani 1 1 d . .
H3A H 0.8699 0.2564 1.2117 0.043 Uiso 1 1 calc R U
H3B H 0.7652 0.2291 1.3098 0.043 Uiso 1 1 calc R U
C4 C 1.1444(10) -0.0818(8) 0.7990(7) 0.032(2) Uani 1 1 d . .
C5 C 0.6443(11) -0.0822(9) 0.6388(8) 0.034(2) Uani 1 1 d . .
C6 C 0.7134(11) -0.1979(9) 0.5807(8) 0.038(2) Uani 1 1 d . .
H6A H 0.7326 -0.2317 0.6389 0.046 Uiso 1 1 calc R U
H6B H 0.6290 -0.2579 0.5205 0.046 Uiso 1 1 calc R U
C7 C 0.2399(12) 0.4738(8) 0.8534(9) 0.042(2) Uani 1 1 d . .
H7A H 0.1171 0.4459 0.8369 0.051 Uiso 1 1 calc R U
H7B H 0.2797 0.5255 0.8103 0.051 Uiso 1 1 calc R U
C8 C 0.3271(11) 0.3671(8) 0.8183(8) 0.035(2) Uani 1 1 d . .
C9 C 1.1381(11) 0.1431(8) 0.5813(7) 0.033(2) Uani 1 1 d . .
C10 C 1.1226(11) 0.1756(9) 0.4742(7) 0.037(2) Uani 1 1 d . .
H10A H 1.0430 0.1095 0.4151 0.044 Uiso 1 1 calc R U
H10B H 1.0737 0.2486 0.4967 0.044 Uiso 1 1 calc R U
C11 C 0.7158(12) 0.4555(9) 1.0150(9) 0.046(2) Uani 1 1 d . .
H11A H 0.7321 0.5133 0.9762 0.056 Uiso 1 1 calc R U
H11B H 0.5955 0.4170 1.0026 0.056 Uiso 1 1 calc R U
C12 C 0.8197(11) 0.3569(8) 0.9560(9) 0.037(2) Uani 1 1 d . .
La1 La 0.99112(6) 0.14308(5) 0.85318(4) 0.03052(18) Uani 1 1 d . .
La2 La 0.49133(6) 0.14293(5) 0.75029(4) 0.03016(17) Uani 1 1 d . .
O1 O 0.7714(7) 0.2779(5) 0.8504(5) 0.0367(14) Uani 1 1 d . .
O2 O 0.9490(8) 0.3551(6) 1.0106(5) 0.0440(16) Uani 1 1 d . .
O3 O 1.2335(7) 0.0128(6) 0.7913(5) 0.0368(15) Uani 1 1 d . .
O4 O 0.9901(7) -0.0791(6) 0.8245(6) 0.0414(16) Uani 1 1 d . .
O5 O 0.4523(8) 0.3605(6) 0.7561(6) 0.0487(17) Uani 1 1 d . .
O6 O 1.2728(7) 0.2783(5) 0.8555(5) 0.0355(14) Uani 1 1 d . .
O7 O 0.5158(7) 0.1498(6) 0.9618(5) 0.0370(15) Uani 1 1 d . .
O8 O 0.7677(7) 0.1014(6) 0.9798(5) 0.0406(16) Uani 1 1 d . .
O9 O 1.0172(7) 0.1527(6) 0.6498(5) 0.0373(15) Uani 1 1 d . .
O10 O 0.2690(7) 0.1037(6) 0.5949(5) 0.0421(16) Uani 1 1 d . .
O11 O 0.7352(7) 0.0138(6) 0.7162(5) 0.0357(14) Uani 1 1 d . .
O12 O 0.4888(7) -0.0804(6) 0.6162(5) 0.0408(16) Uani 1 1 d . .
O13 O 0.6812(8) 0.1835(6) 0.5976(5) 0.0442(16) Uani 1 1 d . .
H13A H 0.6414 0.1324 0.5190 0.066 Uiso 1 1 d R U
H13B H 0.7926 0.1703 0.6057 0.066 Uiso 1 1 d R U
O14 O 1.1810(8) 0.1812(6) 1.0352(6) 0.0425(16) Uani 1 1 d . .
H14A H 1.2799 0.1550 1.0159 0.064 Uiso 1 1 d R U
H14B H 1.1294 0.1416 1.0794 0.064 Uiso 1 1 d R U
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'
La La -0.2871 2.4523 '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'
S S 0.1246 0.1234 '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 C1 O8 123.7(8) . .
O7 C1 C2 117.4(8) . .
O8 C1 C2 118.9(8) . .
C1 C2 C3 114.3(7) . .
C1 C2 H2A 108.7 . .
C3 C2 H2A 108.7 . .
C1 C2 H2B 108.7 . .
C3 C2 H2B 108.7 . .
H2A C2 H2B 107.6 . .
C4 C3 C2 112.9(7) 2_757 .
C4 C3 H3A 109.0 2_757 .
C2 C3 H3A 109.0 . .
C4 C3 H3B 109.0 2_757 .
C2 C3 H3B 109.0 . .
H3A C3 H3B 107.8 . .
O3 C4 O4 117.8(8) . .
O3 C4 C3 121.2(7) . 2_757
O4 C4 C3 120.9(8) . 2_757
O3 C4 La1 60.9(5) . .
O4 C4 La1 57.0(5) . .
C3 C4 La1 177.9(6) 2_757 .
O11 C5 O12 118.0(8) . .
O11 C5 C6 121.6(8) . .
O12 C5 C6 120.3(8) . .
O11 C5 La2 60.8(5) . .
O12 C5 La2 57.3(5) . .
C6 C5 La2 177.6(6) . .
C10 C6 C5 112.3(8) 2_756 .
C10 C6 H6A 109.2 2_756 .
C5 C6 H6A 109.2 . .
C10 C6 H6B 109.2 2_756 .
C5 C6 H6B 109.2 . .
H6A C6 H6B 107.9 . .
C8 C7 C11 106.7(8) . 2_667
C8 C7 H7A 110.4 . .
C11 C7 H7A 110.4 2_667 .
C8 C7 H7B 110.4 . .
C11 C7 H7B 110.4 2_667 .
H7A C7 H7B 108.6 . .
O5 C8 O6 119.0(8) . 1_455
O5 C8 C7 122.1(8) . .
O6 C8 C7 118.9(8) 1_455 .
O5 C8 La2 60.5(5) . .
O6 C8 La2 58.5(4) 1_455 .
C7 C8 La2 177.4(6) . .
O10 C9 O9 123.5(8) 1_655 .
O10 C9 C10 117.3(7) 1_655 .
O9 C9 C10 119.1(8) . .
C6 C10 C9 115.4(7) 2_756 .
C6 C10 H10A 108.4 2_756 .
C9 C10 H10A 108.4 . .
C6 C10 H10B 108.4 2_756 .
C9 C10 H10B 108.4 . .
H10A C10 H10B 107.5 . .
C7 C11 C12 115.2(8) 2_667 .
C7 C11 H11A 108.5 2_667 .
C12 C11 H11A 108.5 . .
C7 C11 H11B 108.5 2_667 .
C12 C11 H11B 108.5 . .
H11A C11 H11B 107.5 . .
O2 C12 O1 121.7(8) . .
O2 C12 C11 118.9(8) . .
O1 C12 C11 119.4(8) . .
O2 C12 La1 61.8(5) . .
O1 C12 La1 60.4(4) . .
C11 C12 La1 172.4(7) . .
O8 La1 O11 74.2(2) . .
O8 La1 O6 143.3(2) . .
O11 La1 O6 140.5(2) . .
O8 La1 O14 80.9(2) . .
O11 La1 O14 147.3(2) . .
O6 La1 O14 69.9(2) . .
O8 La1 O9 139.58(19) . .
O11 La1 O9 68.7(2) . .
O6 La1 O9 71.83(19) . .
O14 La1 O9 139.5(2) . .
O8 La1 O4 77.0(2) . .
O11 La1 O4 73.1(2) . .
O6 La1 O4 118.0(2) . .
O14 La1 O4 81.0(2) . .
O9 La1 O4 106.1(2) . .
O8 La1 O1 74.9(2) . .
O11 La1 O1 70.0(2) . .
O6 La1 O1 102.8(2) . .
O14 La1 O1 123.3(2) . .
O9 La1 O1 77.85(19) . .
O4 La1 O1 138.34(19) . .
O8 La1 O2 72.0(2) . .
O11 La1 O2 116.3(2) . .
O6 La1 O2 78.9(2) . .
O14 La1 O2 74.1(2) . .
O9 La1 O2 110.9(2) . .
O4 La1 O2 142.7(2) . .
O1 La1 O2 49.90(19) . .
O8 La1 O3 121.5(2) . .
O11 La1 O3 104.9(2) . .
O6 La1 O3 69.4(2) . .
O14 La1 O3 70.7(2) . .
O9 La1 O3 83.92(19) . .
O4 La1 O3 49.30(18) . .
O1 La1 O3 161.70(19) . .
O2 La1 O3 138.81(19) . .
O8 La1 C12 69.6(2) . .
O11 La1 C12 93.0(2) . .
O6 La1 C12 92.4(2) . .
O14 La1 C12 97.8(2) . .
O9 La1 C12 96.5(2) . .
O4 La1 C12 146.3(2) . .
O1 La1 C12 25.6(2) . .
O2 La1 C12 24.4(2) . .
O3 La1 C12 160.8(2) . .
O8 La1 C4 99.2(2) . .
O11 La1 C4 89.5(2) . .
O6 La1 C4 93.6(2) . .
O14 La1 C4 73.7(2) . .
O9 La1 C4 96.1(2) . .
O4 La1 C4 24.7(2) . .
O1 La1 C4 159.5(2) . .
O2 La1 C4 147.6(2) . .
O3 La1 C4 24.6(2) . .
C12 La1 C4 167.2(3) . .
O8 La1 La2 63.95(15) . .
O11 La1 La2 36.83(15) . .
O6 La1 La2 132.05(15) . .
O14 La1 La2 141.30(15) . .
O9 La1 La2 76.68(14) . .
O4 La1 La2 104.84(14) . .
O1 La1 La2 34.43(13) . .
O2 La1 La2 79.73(14) . .
O3 La1 La2 141.36(14) . .
C12 La1 La2 56.18(18) . .
C4 La1 La2 125.30(17) . .
O10 La2 O1 143.8(2) . .
O10 La2 O3 74.0(2) . 1_455
O1 La2 O3 140.0(2) . 1_455
O10 La2 O13 81.1(2) . .
O1 La2 O13 70.5(2) . .
O3 La2 O13 147.5(2) 1_455 .
O10 La2 O12 77.5(2) . .
O1 La2 O12 118.5(2) . .
O3 La2 O12 72.7(2) 1_455 .
O13 La2 O12 81.9(2) . .
O10 La2 O7 139.1(2) . .
O1 La2 O7 71.5(2) . .
O3 La2 O7 68.50(19) 1_455 .
O13 La2 O7 139.74(19) . .
O12 La2 O7 105.4(2) . .
O10 La2 O6 75.3(2) . 1_455
O1 La2 O6 101.9(2) . 1_455
O3 La2 O6 69.9(2) 1_455 1_455
O13 La2 O6 123.5(2) . 1_455
O12 La2 O6 138.36(19) . 1_455
O7 La2 O6 77.10(19) . 1_455
O10 La2 O11 122.0(2) . .
O1 La2 O11 69.3(2) . .
O3 La2 O11 105.4(2) 1_455 .
O13 La2 O11 70.7(2) . .
O12 La2 O11 49.68(18) . .
O7 La2 O11 84.04(19) . .
O6 La2 O11 160.99(19) 1_455 .
O10 La2 O5 73.2(2) . .
O1 La2 O5 77.9(2) . .
O3 La2 O5 116.2(2) 1_455 .
O13 La2 O5 74.7(2) . .
O12 La2 O5 144.8(2) . .
O7 La2 O5 109.5(2) . .
O6 La2 O5 49.63(19) 1_455 .
O11 La2 O5 138.3(2) . .
O10 La2 C5 99.5(2) . .
O1 La2 C5 93.9(2) . .
O3 La2 C5 89.6(2) 1_455 .
O13 La2 C5 74.2(2) . .
O12 La2 C5 24.8(2) . .
O7 La2 C5 95.9(2) . .
O6 La2 C5 159.4(2) 1_455 .
O11 La2 C5 24.9(2) . .
O5 La2 C5 148.7(2) . .
O10 La2 C8 72.1(2) . .
O1 La2 C8 90.0(2) . .
O3 La2 C8 93.5(2) 1_455 .
O13 La2 C8 98.4(2) . .
O12 La2 C8 149.2(2) . .
O7 La2 C8 94.3(2) . .
O6 La2 C8 25.4(2) 1_455 .
O11 La2 C8 158.7(2) . .
O5 La2 C8 24.2(2) . .
C5 La2 C8 169.8(2) . .
O10 La2 La1 150.21(15) . .
O1 La2 La1 35.90(15) . .
O3 La2 La1 122.67(15) 1_455 .
O13 La2 La1 73.12(15) . .
O12 La2 La1 84.26(14) . .
O7 La2 La1 68.46(13) . .
O6 La2 La1 131.79(14) 1_455 .
O11 La2 La1 34.64(13) . .
O5 La2 La1 112.71(15) . .
C5 La2 La1 59.57(18) . .
C8 La2 La1 125.60(17) . .
C12 O1 La2 134.1(5) . .
C12 O1 La1 93.9(5) . .
La2 O1 La1 109.7(2) . .
C12 O2 La1 93.7(5) . .
C4 O3 La2 157.1(6) . 1_655
C4 O3 La1 94.5(5) . .
La2 O3 La1 108.4(2) 1_655 .
C4 O4 La1 98.3(5) . .
C8 O5 La2 95.3(6) . .
C8 O6 La1 136.3(5) 1_655 .
C8 O6 La2 96.0(5) 1_655 1_655
La1 O6 La2 109.6(2) . 1_655
C1 O7 La2 132.5(6) . .
C1 O8 La1 138.7(6) . .
C9 O9 La1 132.8(6) . .
C9 O10 La2 138.7(6) 1_455 .
C5 O11 La1 157.1(6) . .
C5 O11 La2 94.2(5) . .
La1 O11 La2 108.5(2) . .
C5 O12 La2 98.0(5) . .
La2 O13 H13A 113.9 . .
La2 O13 H13B 112.5 . .
H13A O13 H13B 104.6 . .
La1 O14 H14A 111.6 . .
La1 O14 H14B 111.7 . .
H14A O14 H14B 107.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O7 1.258(10) .
C1 O8 1.265(10) .
C1 C2 1.507(12) .
C2 C3 1.561(11) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.499(13) 2_757
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 O3 1.260(10) .
C4 O4 1.273(10) .
C4 C3 1.499(13) 2_757
C4 La1 3.015(10) .
C5 O11 1.276(11) .
C5 O12 1.277(10) .
C5 C6 1.511(13) .
C5 La2 3.019(10) .
C6 C10 1.498(12) 2_756
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.490(13) .
C7 C11 1.523(14) 2_667
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 O5 1.253(10) .
C8 O6 1.315(10) 1_455
C8 La2 3.045(10) .
C9 O10 1.258(10) 1_655
C9 O9 1.274(10) .
C9 C10 1.516(11) .
C10 C6 1.498(12) 2_756
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C7 1.523(14) 2_667
C11 C12 1.527(13) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 O2 1.238(10) .
C12 O1 1.294(11) .
C12 La1 2.986(9) .
La1 O8 2.471(6) .
La1 O11 2.506(6) .
La1 O6 2.512(6) .
La1 O14 2.544(6) .
La1 O9 2.550(6) .
La1 O4 2.555(7) .
La1 O1 2.603(6) .
La1 O2 2.638(7) .
La1 O3 2.643(6) .
La1 La2 4.180(4) .
La2 O10 2.454(6) .
La2 O1 2.510(6) .
La2 O3 2.517(6) 1_455
La2 O13 2.543(6) .
La2 O12 2.564(7) .
La2 O7 2.574(6) .
La2 O6 2.611(6) 1_455
La2 O11 2.643(6) .
La2 O5 2.661(7) .
O3 La2 2.517(6) 1_655
O6 C8 1.315(10) 1_655
O6 La2 2.611(6) 1_655
O10 C9 1.258(10) 1_455
O13 H13A 0.9460 .
O13 H13B 0.9416 .
O14 H14A 0.9022 .
O14 H14B 0.9011 .
