#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:35:40 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178906 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/35/4113539.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_4113539
loop_
_publ_author_name
'Long Pan'
'Kristie M. Adams'
'Hayden E. Hernandez'
'Xiaotai Wang'
'Chong Zheng'
'Yoshiyuki Hattori'
'Katsumi Kaneko'
_publ_contact_author_address
;    Department of Chemistry
     University of Colorado at Denver
     Campus Box 194
     P.O. Box 173364
     Denver, CO 80217-3364
     U.S.A.
;
_publ_contact_author_email       xwang@carbon.cudenver.edu
_publ_contact_author_fax         01(303)5564776
_publ_contact_author_name        'Dr. Xiaotai Wang'
_publ_contact_author_phone       01(303)5566711
_publ_section_title
;
 Porous Lanthanide-Organic Frameworks: Synthesis, Characterization, and
 Unprecedented Gas Adsorption Properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3062
_journal_page_last               3067
_journal_paper_doi               10.1021/ja028996w
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C30 H30 La2 O15'
_chemical_formula_weight         908.36
_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_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                 91.276(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.101(7)
_cell_length_b                   10.218(3)
_cell_length_c                   14.283(5)
_cell_measurement_reflns_used    542
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14
_cell_measurement_theta_min      -14
_cell_volume                     3224.7(18)
_computing_cell_refinement       'SMART and SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Siemens SMART CCD  PLATFORM'
_diffrn_measurement_method       'ω scans'
_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  0.0245
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13830
_diffrn_reflns_theta_full        23.26
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         0.92
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.686
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.705581
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.871
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1776
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         3.451
_refine_diff_density_min         -1.065
_refine_diff_density_rms         0.148
_refine_ls_extinction_coef       0.00000(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.170
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         4606
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.170
_refine_ls_R_factor_all          0.0571
_refine_ls_R_factor_gt           0.0530
_refine_ls_shift/su_max          3.722
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0586P)²+21.9925P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1278
_refine_ls_wR_factor_ref         0.1304
_reflns_number_gt                4220
_reflns_number_total             4606
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja028996wsi20030112_070722_1.cif
_cod_data_source_block           LaCompound
_cod_original_cell_volume        3224.8(18)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4113539
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
La1 La 0.25820(2) 0.55662(5) 0.26501(3) 0.03387(19) Uani 1 1 d .
La2 La 0.249930(19) 0.75114(4) 0.02127(3) 0.03041(18) Uani 1 1 d .
O11 O 0.3696(3) 0.5107(9) 0.2181(5) 0.081(3) Uani 1 1 d .
O12 O 0.3248(2) 0.6576(6) 0.1315(4) 0.0404(13) Uani 1 1 d .
O13 O 0.3068(3) 0.7564(6) -0.1433(4) 0.0443(15) Uani 1 1 d .
O14 O 0.2846(3) 0.5654(6) -0.0848(5) 0.0626(19) Uani 1 1 d .
O21 O 0.2140(3) 0.7675(6) 0.2008(4) 0.0486(15) Uani 1 1 d .
O22 O 0.1888(3) 0.9245(6) 0.1059(4) 0.0527(16) Uani 1 1 d .
O23 O 0.1433(3) 0.5199(9) 0.2944(5) 0.077(3) Uani 1 1 d .
O24 O 0.1909(3) 0.6342(7) 0.3993(4) 0.0490(16) Uani 1 1 d .
O31 O 0.3211(4) 0.9328(8) 0.0337(5) 0.075(2) Uani 1 1 d .
O32 O 0.3041(4) 1.0457(10) -0.0943(5) 0.093(3) Uani 1 1 d .
O41 O 0.2151(2) 0.5243(6) 0.1036(4) 0.0401(13) Uani 1 1 d .
O42 O 0.1532(3) 0.6275(7) 0.0093(6) 0.071(2) Uani 1 1 d .
C11 C 0.4834(5) 0.5524(13) 0.1248(7) 0.069(3) Uani 1 1 d .
C12 C 0.4960(5) 0.4237(12) 0.1410(8) 0.064(3) Uani 1 1 d .
H12 H 0.4664 0.3608 0.1293 0.083 Uiso 1 1 calc R
C13 C 0.5528(4) 0.3859(10) 0.1749(7) 0.058(3) Uani 1 1 d .
H13 H 0.5607 0.2977 0.1856 0.075 Uiso 1 1 calc R
C14 C 0.5973(4) 0.4764(9) 0.1929(6) 0.046(2) Uani 1 1 d .
C15 C 0.5842(4) 0.6065(10) 0.1764(8) 0.060(3) Uani 1 1 d .
H15 H 0.6139 0.6695 0.1869 0.078 Uiso 1 1 calc R
C16 C 0.5279(5) 0.6441(12) 0.1446(9) 0.073(3) Uani 1 1 d .
H16 H 0.5194 0.7326 0.1363 0.095 Uiso 1 1 calc R
C17 C 0.4232(5) 0.5956(16) 0.0860(8) 0.089(5) Uani 1 1 d .
H17A H 0.4142 0.5441 0.0303 0.116 Uiso 1 1 calc R
H17B H 0.4269 0.6860 0.0663 0.116 Uiso 1 1 calc R
C18 C 0.3702(4) 0.5859(10) 0.1491(7) 0.051(2) Uani 1 1 d .
C19 C 0.3403(4) 0.5656(10) -0.2258(6) 0.051(2) Uani 1 1 d .
H19A H 0.3434 0.6243 -0.2788 0.066 Uiso 1 1 calc R
H19B H 0.3171 0.4896 -0.2457 0.066 Uiso 1 1 calc R
C110 C 0.3087(4) 0.6335(9) -0.1476(6) 0.0396(19) Uani 1 1 d .
C21 C 0.0813(4) 0.9674(9) 0.2053(6) 0.044(2) Uani 1 1 d .
C22 C 0.0687(4) 1.0979(9) 0.1909(7) 0.051(2) Uani 1 1 d .
H22 H 0.0967 1.1606 0.2104 0.066 Uiso 1 1 calc R
C23 C 0.0153(4) 1.1373(10) 0.1481(7) 0.052(2) Uani 1 1 d .
H23 H 0.0087 1.2261 0.1377 0.068 Uiso 1 1 calc R
C24 C -0.0281(4) 1.0506(10) 0.1209(6) 0.046(2) Uani 1 1 d .
C25 C -0.0157(4) 0.9177(9) 0.1349(7) 0.052(2) Uani 1 1 d .
H25 H -0.0440 0.8553 0.1157 0.067 Uiso 1 1 calc R
C26 C 0.0380(4) 0.8781(9) 0.1772(7) 0.051(2) Uani 1 1 d .
H26 H 0.0451 0.7893 0.1868 0.066 Uiso 1 1 calc R
C27 C 0.1396(4) 0.9200(12) 0.2508(7) 0.063(3) Uani 1 1 d .
H27A H 0.1586 0.9919 0.2846 0.082 Uiso 1 1 calc R
H27B H 0.1304 0.8521 0.2958 0.082 Uiso 1 1 calc R
C28 C 0.1825(3) 0.8675(8) 0.1819(6) 0.0381(19) Uani 1 1 d .
C29 C 0.0864(4) 0.5936(12) 0.4270(7) 0.061(3) Uani 1 1 d .
H29A H 0.0920 0.5431 0.4840 0.079 Uiso 1 1 calc R
H29B H 0.0824 0.6847 0.4448 0.079 Uiso 1 1 calc R
C210 C 0.1424(4) 0.5790(10) 0.3688(6) 0.047(2) Uani 1 1 d .
C31 C 0.4431(4) 1.0556(9) 0.0064(7) 0.047(2) Uani 1 1 d .
C32 C 0.4813(5) 1.0493(11) 0.0837(7) 0.060(3) Uani 1 1 d .
H32 H 0.4689 1.0812 0.1412 0.079 Uiso 1 1 calc R
C33 C 0.5385(5) 0.9949(11) 0.0753(7) 0.058(3) Uani 1 1 d .
H33 H 0.5647 0.9933 0.1272 0.076 Uiso 1 1 calc R
C37 C 0.3809(4) 1.1208(11) 0.0142(8) 0.064(3) Uani 1 1 d .
H37A H 0.3792 1.1990 -0.0243 0.083 Uiso 1 1 calc R
H37B H 0.3742 1.1461 0.0786 0.083 Uiso 1 1 calc R
C38 C 0.3317(4) 1.0235(11) -0.0188(7) 0.054(2) Uani 1 1 d .
C41 C 0.0565(4) 0.4633(8) 0.0384(6) 0.040(2) Uani 1 1 d .
C42 C 0.0131(4) 0.5197(9) 0.0935(6) 0.045(2) Uani 1 1 d .
H42 H 0.0216 0.5340 0.1567 0.059 Uiso 1 1 calc R
C43 C -0.0426(4) 0.5552(9) 0.0566(6) 0.045(2) Uani 1 1 d .
H43 H -0.0713 0.5920 0.0953 0.058 Uiso 1 1 calc R
C47 C 0.1177(4) 0.4281(9) 0.0773(7) 0.047(2) Uani 1 1 d .
H47A H 0.1311 0.3479 0.0478 0.062 Uiso 1 1 calc R
H47B H 0.1147 0.4113 0.1439 0.062 Uiso 1 1 calc R
C48 C 0.1644(4) 0.5331(9) 0.0627(6) 0.044(2) Uani 1 1 d .
OW1 O 0.2483(4) 0.3154(8) 0.2449(6) 0.095(3) Uani 1 1 d .
OW2 O 0.2449(6) 1.3141(9) -0.0904(7) 0.118(4) Uani 1 1 d .
OW3 O 0.2235(5) 1.1839(8) 0.0847(7) 0.109(3) 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'
O O 0.0106 0.0060 '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'
H H 0.0000 0.0000 '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
O32 La1 OW1 73.0(3) 4_576 .
O32 La1 O41 147.0(3) 4_576 .
OW1 La1 O41 74.5(2) . .
O32 La1 O21 143.7(3) 4_576 .
OW1 La1 O21 140.3(3) . .
O41 La1 O21 69.0(2) . .
O32 La1 O13 74.8(3) 4_576 4_576
OW1 La1 O13 147.0(2) . 4_576
O41 La1 O13 136.3(2) . 4_576
O21 La1 O13 72.6(2) . 4_576
O32 La1 O24 76.0(3) 4_576 .
OW1 La1 O24 109.8(3) . .
O41 La1 O24 120.84(18) . .
O21 La1 O24 77.5(2) . .
O13 La1 O24 68.26(18) 4_576 .
O32 La1 O11 76.1(3) 4_576 .
OW1 La1 O11 82.7(3) . .
O41 La1 O11 94.7(2) . .
O21 La1 O11 114.8(2) . .
O13 La1 O11 82.9(3) 4_576 .
O24 La1 O11 144.1(2) . .
O32 La1 O23 101.1(3) 4_576 .
OW1 La1 O23 78.0(3) . .
O41 La1 O23 77.1(2) . .
O21 La1 O23 79.1(3) . .
O13 La1 O23 115.3(2) 4_576 .
O24 La1 O23 49.08(19) . .
O11 La1 O23 160.5(3) . .
O32 La1 O12 121.9(2) 4_576 .
OW1 La1 O12 110.6(3) . .
O41 La1 O12 65.97(17) . .
O21 La1 O12 67.83(18) . .
O13 La1 O12 80.96(18) 4_576 .
O24 La1 O12 139.1(2) . .
O11 La1 O12 48.79(19) . .
O23 La1 O12 137.0(2) . .
O32 La1 C210 88.3(3) 4_576 .
OW1 La1 C210 93.4(3) . .
O41 La1 C210 98.9(2) . .
O21 La1 C210 77.7(2) . .
O13 La1 C210 92.5(2) 4_576 .
O24 La1 C210 25.1(2) . .
O11 La1 C210 164.3(2) . .
O23 La1 C210 23.9(2) . .
O12 La1 C210 145.3(2) . .
O32 La1 C18 99.3(3) 4_576 .
OW1 La1 C18 96.1(3) . .
O41 La1 C18 78.9(2) . .
O21 La1 C18 91.8(2) . .
O13 La1 C18 82.3(2) 4_576 .
O24 La1 C18 150.5(2) . .
O11 La1 C18 24.2(2) . .
O23 La1 C18 156.0(2) . .
O12 La1 C18 24.6(2) . .
C210 La1 C18 169.3(3) . .
O32 La1 La2 158.20(19) 4_576 .
OW1 La1 La2 112.85(19) . .
O41 La1 La2 41.82(14) . .
O21 La1 La2 41.69(14) . .
O13 La1 La2 94.90(14) 4_576 .
O24 La1 La2 118.52(15) . .
O11 La1 La2 83.74(15) . .
O23 La1 La2 100.7(2) . .
O12 La1 La2 36.45(11) . .
C210 La1 La2 111.64(19) . .
C18 La1 La2 59.83(17) . .
O31 La2 O24 91.2(3) . 4_575
O31 La2 O12 79.9(2) . .
O24 La2 O12 169.55(18) 4_575 .
O31 La2 O42 160.9(3) . .
O24 La2 O42 75.6(2) 4_575 .
O12 La2 O42 114.4(2) . .
O31 La2 O22 77.6(3) . .
O24 La2 O22 74.1(2) 4_575 .
O12 La2 O22 108.9(2) . .
O42 La2 O22 85.5(3) . .
O31 La2 O14 114.0(3) . .
O24 La2 O14 95.5(2) 4_575 .
O12 La2 O14 83.4(2) . .
O42 La2 O14 81.4(3) . .
O22 La2 O14 165.0(2) . .
O31 La2 O13 74.6(2) . .
O24 La2 O13 67.72(18) 4_575 .
O12 La2 O13 104.32(18) . .
O42 La2 O13 111.6(2) . .
O22 La2 O13 131.55(19) . .
O14 La2 O13 49.1(2) . .
O31 La2 O21 95.0(2) . .
O24 La2 O21 118.78(18) 4_575 .
O12 La2 O21 67.89(18) . .
O42 La2 O21 80.0(2) . .
O22 La2 O21 48.55(19) . .
O14 La2 O21 134.85(19) . .
O13 La2 O21 168.28(19) . .
O31 La2 O41 143.8(2) . .
O24 La2 O41 124.30(19) 4_575 .
O12 La2 O41 65.38(17) . .
O42 La2 O41 49.07(19) . .
O22 La2 O41 103.23(19) . .
O14 La2 O41 73.44(19) . .
O13 La2 O41 122.51(17) . .
O21 La2 O41 63.29(17) . .
O31 La2 C48 164.4(2) . .
O24 La2 C48 99.7(2) 4_575 .
O12 La2 C48 90.1(2) . .
O42 La2 C48 24.3(2) . .
O22 La2 C48 94.6(2) . .
O14 La2 C48 76.3(2) . .
O13 La2 C48 119.8(2) . .
O21 La2 C48 70.0(2) . .
O41 La2 C48 24.8(2) . .
O31 La2 C28 88.5(3) . .
O24 La2 C28 95.1(2) 4_575 .
O12 La2 C28 90.2(2) . .
O42 La2 C28 79.2(3) . .
O22 La2 C28 24.0(2) . .
O14 La2 C28 154.9(2) . .
O13 La2 C28 155.1(2) . .
O21 La2 C28 24.8(2) . .
O41 La2 C28 81.8(2) . .
C48 La2 C28 79.5(2) . .
O31 La2 C110 94.2(3) . .
O24 La2 C110 81.6(2) 4_575 .
O12 La2 C110 93.5(2) . .
O42 La2 C110 97.3(3) . .
O22 La2 C110 154.0(2) . .
O14 La2 C110 24.5(2) . .
O13 La2 C110 24.6(2) . .
O21 La2 C110 157.4(2) . .
O41 La2 C110 97.9(2) . .
C48 La2 C110 98.4(2) . .
C28 La2 C110 175.8(2) . .
C18 O11 La1 96.8(5) . .
C18 O12 La2 151.1(6) . .
C18 O12 La1 94.7(5) . .
La2 O12 La1 103.71(18) . .
C110 O13 La1 137.7(6) . 4_575
C110 O13 La2 92.3(5) . .
La1 O13 La2 105.4(2) 4_575 .
C110 O14 La2 98.5(5) . .
C28 O21 La1 166.9(6) . .
C28 O21 La2 91.1(5) . .
La1 O21 La2 99.90(19) . .
C28 O22 La2 99.2(5) . .
C210 O23 La1 96.0(5) . .
C210 O24 La2 151.8(5) . 4_576
C210 O24 La1 96.0(5) . .
La2 O24 La1 111.6(2) 4_576 .
C38 O31 La2 131.8(7) . .
C38 O32 La1 144.3(8) . 4_575
C48 O41 La1 137.7(5) . .
C48 O41 La2 89.8(5) . .
La1 O41 La2 100.42(19) . .
C48 O42 La2 101.0(5) . .
C12 C11 C16 118.6(10) . .
C12 C11 C17 121.6(13) . .
C16 C11 C17 119.9(12) . .
C11 C12 C13 120.4(11) . .
C14 C13 C12 121.2(10) . .
C13 C14 C15 118.0(9) . .
C13 C14 C19 121.0(9) . 3_665
C15 C14 C19 120.9(9) . 3_665
C16 C15 C14 120.9(10) . .
C15 C16 C11 120.9(11) . .
C11 C17 C18 117.3(9) . .
O11 C18 O12 119.5(8) . .
O11 C18 C17 122.5(8) . .
O12 C18 C17 118.0(8) . .
O11 C18 La1 59.0(5) . .
O12 C18 La1 60.7(4) . .
C17 C18 La1 175.8(8) . .
C110 C19 C14 109.7(7) . 3_665
O13 C110 O14 120.0(8) . .
O13 C110 C19 121.0(8) . .
O14 C110 C19 119.0(8) . .
O13 C110 La2 63.1(4) . .
O14 C110 La2 57.0(4) . .
C19 C110 La2 174.8(6) . .
C26 C21 C22 117.4(8) . .
C26 C21 C27 119.6(9) . .
C22 C21 C27 123.0(9) . .
C23 C22 C21 121.3(9) . .
C24 C23 C22 122.0(9) . .
C23 C24 C25 117.3(8) . .
C23 C24 C29 122.0(9) . 2
C25 C24 C29 120.6(10) . 2
C26 C25 C24 120.7(9) . .
C21 C26 C25 121.3(9) . .
C28 C27 C21 112.4(8) . .
O22 C28 O21 119.7(7) . .
O22 C28 C27 119.8(8) . .
O21 C28 C27 120.5(8) . .
O22 C28 La2 56.8(4) . .
O21 C28 La2 64.1(4) . .
C27 C28 La2 169.9(6) . .
C24 C29 C210 115.0(7) 2_545 .
O23 C210 O24 118.9(8) . .
O23 C210 C29 123.7(8) . .
O24 C210 C29 117.3(7) . .
O23 C210 La1 60.1(5) . .
O24 C210 La1 58.9(4) . .
C29 C210 La1 176.1(6) . .
C33 C31 C32 119.0(9) 3_675 .
C33 C31 C37 121.2(9) 3_675 .
C32 C31 C37 119.8(9) . .
C31 C32 C33 119.5(9) . .
C31 C33 C32 121.5(9) 3_675 .
C31 C37 C38 109.0(8) . .
O31 C38 O32 125.1(10) . .
O31 C38 C37 116.5(9) . .
O32 C38 C37 118.3(10) . .
C42 C41 C43 118.0(8) . 3_565
C42 C41 C47 121.6(8) . .
C43 C41 C47 120.3(8) 3_565 .
C43 C42 C41 121.3(8) . .
C42 C43 C41 120.7(8) . 3_565
C41 C47 C48 113.2(7) . .
O42 C48 O41 120.2(8) . .
O42 C48 C47 120.4(8) . .
O41 C48 C47 119.4(8) . .
O42 C48 La2 54.8(4) . .
O41 C48 La2 65.4(5) . .
C47 C48 La2 175.1(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O32 2.465(7) 4_576
La1 OW1 2.491(8) .
La1 O41 2.497(5) .
La1 O21 2.529(6) .
La1 O13 2.541(6) 4_576
La1 O24 2.578(5) .
La1 O11 2.609(7) .
La1 O23 2.610(6) .
La1 O12 2.644(5) .
La1 C210 2.995(8) .
La1 C18 3.022(9) .
La1 La2 4.0094(12) .
La2 O31 2.437(7) .
La2 O24 2.452(6) 4_575
La2 O12 2.452(5) .
La2 O42 2.487(6) .
La2 O22 2.549(6) .
La2 O14 2.557(6) .
La2 O13 2.691(6) .
La2 O21 2.707(6) .
La2 O41 2.718(6) .
La2 C48 2.989(9) .
La2 C28 3.008(8) .
La2 C110 3.015(8) .
O11 C18 1.249(11) .
O12 C18 1.263(10) .
O13 C110 1.258(10) .
O13 La1 2.541(6) 4_575
O14 C110 1.263(10) .
O21 C28 1.263(10) .
O22 C28 1.242(10) .
O23 C210 1.222(10) .
O24 C210 1.280(10) .
O24 La2 2.452(6) 4_576
O31 C38 1.217(12) .
O32 C38 1.247(12) .
O32 La1 2.465(7) 4_575
O41 C48 1.254(10) .
O42 C48 1.251(11) .
C11 C12 1.363(16) .
C11 C16 1.382(18) .
C11 C17 1.497(14) .
C12 C13 1.389(13) .
C13 C14 1.371(14) .
C14 C15 1.381(13) .
C14 C19 1.509(13) 3_665
C15 C16 1.370(15) .
C17 C18 1.499(12) .
C19 C110 1.500(12) .
C19 C14 1.509(13) 3_665
C21 C26 1.376(13) .
C21 C22 1.377(13) .
C21 C27 1.509(12) .
C22 C23 1.377(13) .
C23 C24 1.356(14) .
C24 C25 1.399(13) .
C24 C29 1.509(12) 2
C25 C26 1.381(13) .
C27 C28 1.483(12) .
C29 C24 1.509(12) 2_545
C29 C210 1.514(12) .
C31 C33 1.348(14) 3_675
C31 C32 1.377(14) .
C31 C37 1.533(14) .
C32 C33 1.389(15) .
C33 C31 1.348(14) 3_675
C37 C38 1.540(13) .
C41 C42 1.380(12) .
C41 C43 1.398(12) 3_565
C41 C47 1.496(12) .
C42 C43 1.376(12) .
C43 C41 1.398(12) 3_565
C47 C48 1.507(12) .
