#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:09:44 +0100 (vie 25 de mar de 2016) $
#$Revision: 180063 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/09/7050984.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_7050984
loop_
_publ_author_name
'Wan, Yonghong'
'Jin, Linpei'
'Wang, Kezhi'
'Zhang, Liping'
'Zheng, Xiangjun'
'Lu, Shaozhe'
_publ_section_title
;
 Hydrothermal synthesis and structural studies of novel 2-D lanthanide
 coordination polymers with phthalic acid
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1590
_journal_paper_doi               10.1039/b206280c
_journal_volume                  26
_journal_year                    2002
_chemical_formula_sum            'C24 H14 La2 O13'
_chemical_formula_weight         788.17
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.975(5)
_cell_angle_beta                 102.110(4)
_cell_angle_gamma                104.372(4)
_cell_formula_units_Z            2
_cell_length_a                   8.638(3)
_cell_length_b                   10.625(3)
_cell_length_c                   14.376(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1228.5(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0223
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5014
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    3.501
_exptl_absorpt_correction_T_max  0.7209
_exptl_absorpt_correction_T_min  0.3738
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    2.130
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.825
_refine_diff_density_min         -1.073
_refine_diff_density_rms         0.155
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         4208
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0348
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0723P)²+1.7642P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0921
_refine_ls_wR_factor_ref         0.0970
_reflns_number_gt                3791
_reflns_number_total             4208
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b206280c.txt
_cod_data_source_block           complex1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' 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 
;
_cod_original_cell_volume        1228.6(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7050984
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
La1 La 1.19609(3) 0.84651(2) 0.497145(19) 0.01967(11) Uani 1 1 d . . .
La2 La 0.66931(3) 0.72478(2) 0.510569(19) 0.02075(11) Uani 1 1 d . . .
O1 O 0.4982(4) 0.3240(4) 0.3707(3) 0.0351(9) Uani 1 1 d . . .
O2 O 0.7595(4) 0.3212(4) 0.4087(3) 0.0349(9) Uani 1 1 d . . .
O3 O 1.0693(4) 0.6228(3) 0.3851(3) 0.0317(8) Uani 1 1 d . . .
O4 O 0.8454(5) 0.6181(4) 0.4367(3) 0.0347(9) Uani 1 1 d . . .
O5 O 1.2160(4) 1.0878(3) 0.5803(3) 0.0259(7) Uani 1 1 d . . .
O6 O 1.0210(4) 1.1422(3) 0.6409(3) 0.0285(8) Uani 1 1 d . . .
O7 O 0.9807(4) 0.8449(3) 0.5880(3) 0.0259(7) Uani 1 1 d . . .
O8 O 0.8572(5) 0.7604(4) 0.6926(3) 0.0435(10) Uani 1 1 d . . .
O9 O 0.5481(4) 1.0575(3) 0.3693(3) 0.0279(8) Uani 1 1 d . . .
O10 O 0.3126(4) 1.0416(3) 0.4124(2) 0.0246(7) Uani 1 1 d . . .
O11 O 0.4149(4) 0.7906(3) 0.4208(2) 0.0222(7) Uani 1 1 d . . .
O12 O 0.5092(4) 0.6679(4) 0.3255(3) 0.0337(8) Uani 1 1 d . . .
O13 O 0.6624(5) 0.4998(4) 0.5658(3) 0.0401(9) Uani 1 1 d D . .
C1 C 0.6379(6) 0.3455(4) 0.3557(4) 0.0244(10) Uani 1 1 d . . .
C2 C 0.6682(6) 0.4057(5) 0.2706(4) 0.0268(10) Uani 1 1 d . . .
C3 C 0.5592(8) 0.3540(6) 0.1806(5) 0.0489(16) Uani 1 1 d . . .
H3A H 0.4647 0.2856 0.1752 0.059 Uiso 1 1 calc R . .
C4 C 0.5878(10) 0.4015(8) 0.0997(5) 0.063(2) Uani 1 1 d . . .
H4A H 0.5137 0.3645 0.0399 0.076 Uiso 1 1 calc R . .
C5 C 0.7268(10) 0.5046(7) 0.1062(5) 0.063(2) Uani 1 1 d . . .
H5A H 0.7457 0.5378 0.0514 0.076 Uiso 1 1 calc R . .
C6 C 0.8372(8) 0.5575(6) 0.1958(5) 0.0450(14) Uani 1 1 d . . .
H6A H 0.9322 0.6252 0.2008 0.054 Uiso 1 1 calc R . .
C7 C 0.8070(6) 0.5102(5) 0.2779(4) 0.0275(10) Uani 1 1 d . . .
C8 C 0.9160(6) 0.5864(4) 0.3742(4) 0.0242(10) Uani 1 1 d . . .
C9 C 1.1406(5) 1.0957(4) 0.6461(3) 0.0214(9) Uani 1 1 d . . .
C10 C 1.1971(6) 1.0482(5) 0.7388(4) 0.0245(10) Uani 1 1 d . . .
C11 C 1.3221(7) 1.1337(6) 0.8135(4) 0.0369(12) Uani 1 1 d . . .
H11A H 1.3725 1.2187 0.8059 0.044 Uiso 1 1 calc R . .
C12 C 1.3697(8) 1.0914(7) 0.8980(4) 0.0515(16) Uani 1 1 d . . .
H12A H 1.4553 1.1480 0.9472 0.062 Uiso 1 1 calc R . .
C13 C 1.2957(9) 0.9690(8) 0.9126(5) 0.0596(19) Uani 1 1 d . . .
H13A H 1.3314 0.9427 0.9708 0.071 Uiso 1 1 calc R . .
C14 C 1.1666(7) 0.8833(7) 0.8402(5) 0.0483(16) Uani 1 1 d . . .
H14A H 1.1136 0.8004 0.8502 0.058 Uiso 1 1 calc R . .
C15 C 1.1178(6) 0.9231(5) 0.7528(4) 0.0308(11) Uani 1 1 d . . .
C16 C 0.9765(6) 0.8341(5) 0.6746(4) 0.0284(11) Uani 1 1 d . . .
C17 C 0.4220(6) 0.7447(4) 0.3360(4) 0.0237(10) Uani 1 1 d . . .
C18 C 0.3283(6) 0.7867(5) 0.2526(4) 0.0268(10) Uani 1 1 d . . .
C19 C 0.2549(7) 0.6993(6) 0.1651(4) 0.0389(13) Uani 1 1 d . . .
H19A H 0.2721 0.6161 0.1570 0.047 Uiso 1 1 calc R . .
C20 C 0.1564(8) 0.7358(7) 0.0903(5) 0.0490(16) Uani 1 1 d . . .
H20A H 0.1066 0.6771 0.0319 0.059 Uiso 1 1 calc R . .
C21 C 0.1326(8) 0.8600(7) 0.1028(4) 0.0479(16) Uani 1 1 d . . .
H21A H 0.0648 0.8841 0.0529 0.057 Uiso 1 1 calc R . .
C22 C 0.2080(7) 0.9489(6) 0.1883(4) 0.0369(12) Uani 1 1 d . . .
H22A H 0.1927 1.0328 0.1953 0.044 Uiso 1 1 calc R . .
C23 C 0.3068(6) 0.9130(5) 0.2640(4) 0.0272(10) Uani 1 1 d . . .
C24 C 0.3980(6) 1.0117(4) 0.3547(3) 0.0209(9) Uani 1 1 d . . .
H1 H 0.747(6) 0.464(6) 0.569(5) 0.053(19) Uiso 1 1 d D . .
H2 H 0.671(10) 0.487(8) 0.627(2) 0.07(3) Uiso 1 1 d 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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 '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
_geom_angle_publ_flag
O2 La1 O6 134.97(12) 2_766 2_776 ?
O2 La1 O7 80.72(12) 2_766 . ?
O6 La1 O7 83.82(12) 2_776 . ?
O2 La1 O9 70.93(12) 2_766 2_776 ?
O6 La1 O9 153.92(12) 2_776 2_776 ?
O7 La1 O9 100.71(11) . 2_776 ?
O2 La1 O11 84.34(12) 2_766 1_655 ?
O6 La1 O11 104.32(11) 2_776 1_655 ?
O7 La1 O11 164.57(10) . 1_655 ?
O9 La1 O11 77.84(11) 2_776 1_655 ?
O2 La1 O3 72.44(13) 2_766 . ?
O6 La1 O3 68.97(12) 2_776 . ?
O7 La1 O3 99.85(11) . . ?
O9 La1 O3 134.01(11) 2_776 . ?
O11 La1 O3 71.75(10) 1_655 . ?
O2 La1 O10 149.96(11) 2_766 1_655 ?
O6 La1 O10 70.39(11) 2_776 1_655 ?
O7 La1 O10 123.72(10) . 1_655 ?
O9 La1 O10 86.20(11) 2_776 1_655 ?
O11 La1 O10 71.68(10) 1_655 1_655 ?
O3 La1 O10 114.74(11) . 1_655 ?
O2 La1 O5 121.68(13) 2_766 . ?
O6 La1 O5 90.50(11) 2_776 . ?
O7 La1 O5 68.59(10) . . ?
O9 La1 O5 67.98(11) 2_776 . ?
O11 La1 O5 123.55(10) 1_655 . ?
O3 La1 O5 157.84(11) . . ?
O10 La1 O5 62.78(11) 1_655 . ?
O4 La2 O1 135.68(13) . 2_666 ?
O4 La2 O10 136.25(12) . 2_676 ?
O1 La2 O10 79.73(11) 2_666 2_676 ?
O4 La2 O13 69.77(13) . . ?
O1 La2 O13 66.01(13) 2_666 . ?
O10 La2 O13 137.31(13) 2_676 . ?
O4 La2 O11 126.85(12) . . ?
O1 La2 O11 83.30(11) 2_666 . ?
O10 La2 O11 71.17(11) 2_676 . ?
O13 La2 O11 125.71(12) . . ?
O4 La2 O7 68.82(12) . . ?
O1 La2 O7 114.38(12) 2_666 . ?
O10 La2 O7 72.97(11) 2_676 . ?
O13 La2 O7 98.03(12) . . ?
O11 La2 O7 135.97(10) . . ?
O4 La2 O5 82.13(12) . 2_776 ?
O1 La2 O5 141.73(11) 2_666 2_776 ?
O10 La2 O5 64.16(11) 2_676 2_776 ?
O13 La2 O5 151.75(12) . 2_776 ?
O11 La2 O5 73.76(10) . 2_776 ?
O7 La2 O5 68.07(11) . 2_776 ?
O4 La2 O12 78.04(12) . . ?
O1 La2 O12 116.95(12) 2_666 . ?
O10 La2 O12 111.72(11) 2_676 . ?
O13 La2 O12 106.31(13) . . ?
O11 La2 O12 49.32(10) . . ?
O7 La2 O12 128.46(11) . . ?
O5 La2 O12 69.24(11) 2_776 . ?
O4 La2 O8 94.26(14) . . ?
O1 La2 O8 67.48(12) 2_666 . ?
O10 La2 O8 75.05(13) 2_676 . ?
O13 La2 O8 68.88(14) . . ?
O11 La2 O8 138.55(12) . . ?
O7 La2 O8 48.35(11) . . ?
O5 La2 O8 111.79(11) 2_776 . ?
O12 La2 O8 172.10(12) . . ?
O4 La2 C17 101.80(13) . . ?
O1 La2 C17 103.20(13) 2_666 . ?
O10 La2 C17 89.79(12) 2_676 . ?
O13 La2 C17 121.36(13) . . ?
O11 La2 C17 25.06(11) . . ?
O7 La2 C17 134.21(11) . . ?
O5 La2 C17 66.24(11) 2_776 . ?
O12 La2 C17 24.68(12) . . ?
O8 La2 C17 163.21(13) . . ?
O4 La2 C16 83.47(14) . . ?
O1 La2 C16 89.89(13) 2_666 . ?
O10 La2 C16 69.71(12) 2_676 . ?
O13 La2 C16 84.97(14) . . ?
O11 La2 C16 140.88(12) . . ?
O7 La2 C16 24.73(12) . . ?
O5 La2 C16 89.16(12) 2_776 . ?
O12 La2 C16 153.13(12) . . ?
O8 La2 C16 23.91(12) . . ?
C17 La2 C16 153.49(13) . . ?
C1 O1 La2 146.1(4) . 2_666 ?
C1 O2 La1 136.8(3) . 2_766 ?
C8 O3 La1 110.8(3) . . ?
C8 O4 La2 157.8(3) . . ?
C9 O5 La2 127.3(3) . 2_776 ?
C9 O5 La1 116.1(3) . . ?
La2 O5 La1 114.94(12) 2_776 . ?
C9 O6 La1 132.4(3) . 2_776 ?
C16 O7 La1 133.1(3) . . ?
C16 O7 La2 96.2(3) . . ?
La1 O7 La2 122.45(14) . . ?
C16 O8 La2 92.8(3) . . ?
C24 O9 La1 141.7(3) . 2_776 ?
C24 O10 La2 125.3(3) . 2_676 ?
C24 O10 La1 113.1(3) . 1_455 ?
La2 O10 La1 118.12(13) 2_676 1_455 ?
C17 O11 La1 136.1(3) . 1_455 ?
C17 O11 La2 95.3(3) . . ?
La1 O11 La2 125.24(13) 1_455 . ?
C17 O12 La2 93.7(3) . . ?
O1 C1 O2 124.5(5) . . ?
O1 C1 C2 118.9(4) . . ?
O2 C1 C2 116.6(4) . . ?
C3 C2 C7 118.6(5) . . ?
C3 C2 C1 119.5(4) . . ?
C7 C2 C1 121.8(4) . . ?
C4 C3 C2 121.3(6) . . ?
C3 C4 C5 120.4(6) . . ?
C4 C5 C6 119.1(6) . . ?
C7 C6 C5 120.4(6) . . ?
C6 C7 C2 120.2(5) . . ?
C6 C7 C8 117.4(5) . . ?
C2 C7 C8 121.9(4) . . ?
O4 C8 O3 123.7(5) . . ?
O4 C8 C7 116.7(4) . . ?
O3 C8 C7 119.4(4) . . ?
O6 C9 O5 124.3(5) . . ?
O6 C9 C10 116.2(4) . . ?
O5 C9 C10 119.5(4) . . ?
C11 C10 C15 119.7(5) . . ?
C11 C10 C9 119.4(5) . . ?
C15 C10 C9 120.8(4) . . ?
C12 C11 C10 119.1(6) . . ?
C13 C12 C11 122.0(6) . . ?
C12 C13 C14 119.9(6) . . ?
C15 C14 C13 119.2(6) . . ?
C14 C15 C10 120.0(5) . . ?
C14 C15 C16 120.3(5) . . ?
C10 C15 C16 119.7(5) . . ?
O8 C16 O7 121.2(5) . . ?
O8 C16 C15 122.0(5) . . ?
O7 C16 C15 116.7(4) . . ?
O8 C16 La2 63.3(3) . . ?
O7 C16 La2 59.1(2) . . ?
C15 C16 La2 164.3(3) . . ?
O12 C17 O11 119.7(5) . . ?
O12 C17 C18 122.1(4) . . ?
O11 C17 C18 118.2(4) . . ?
O12 C17 La2 61.6(3) . . ?
O11 C17 La2 59.7(2) . . ?
C18 C17 La2 166.1(3) . . ?
C19 C18 C23 120.0(5) . . ?
C19 C18 C17 120.7(5) . . ?
C23 C18 C17 119.3(4) . . ?
C20 C19 C18 120.2(6) . . ?
C21 C20 C19 119.5(6) . . ?
C22 C21 C20 120.9(6) . . ?
C21 C22 C23 120.0(6) . . ?
C22 C23 C18 119.4(5) . . ?
C22 C23 C24 120.3(5) . . ?
C18 C23 C24 120.2(4) . . ?
O9 C24 O10 124.5(5) . . ?
O9 C24 C23 118.5(4) . . ?
O10 C24 C23 117.0(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
La1 O2 2.422(3) 2_766 ?
La1 O6 2.465(3) 2_776 ?
La1 O7 2.485(3) . ?
La1 O9 2.497(4) 2_776 ?
La1 O11 2.530(3) 1_655 ?
La1 O3 2.546(3) . ?
La1 O10 2.624(3) 1_655 ?
La1 O5 2.642(3) . ?
La2 O4 2.443(4) . ?
La2 O1 2.482(4) 2_666 ?
La2 O10 2.546(3) 2_676 ?
La2 O13 2.600(4) . ?
La2 O11 2.603(3) . ?
La2 O7 2.607(3) . ?
La2 O5 2.617(3) 2_776 ?
La2 O12 2.647(4) . ?
La2 O8 2.702(4) . ?
La2 C17 3.002(5) . ?
La2 C16 3.021(5) . ?
O1 C1 1.240(6) . ?
O1 La2 2.482(4) 2_666 ?
O2 C1 1.263(6) . ?
O2 La1 2.422(3) 2_766 ?
O3 C8 1.253(6) . ?
O4 C8 1.247(6) . ?
O5 C9 1.262(6) . ?
O5 La2 2.617(3) 2_776 ?
O6 C9 1.244(6) . ?
O6 La1 2.465(3) 2_776 ?
O7 C16 1.271(6) . ?
O8 C16 1.226(6) . ?
O9 C24 1.229(6) . ?
O9 La1 2.497(3) 2_776 ?
O10 C24 1.282(6) . ?
O10 La2 2.546(3) 2_676 ?
O10 La1 2.624(3) 1_455 ?
O11 C17 1.277(6) . ?
O11 La1 2.530(3) 1_455 ?
O12 C17 1.256(6) . ?
C1 C2 1.488(7) . ?
C2 C3 1.386(8) . ?
C2 C7 1.392(7) . ?
C3 C4 1.368(9) . ?
C4 C5 1.388(10) . ?
C5 C6 1.388(10) . ?
C6 C7 1.387(8) . ?
C7 C8 1.504(7) . ?
C9 C10 1.510(7) . ?
C10 C11 1.390(7) . ?
C10 C15 1.396(7) . ?
C11 C12 1.365(9) . ?
C12 C13 1.362(10) . ?
C13 C14 1.390(10) . ?
C14 C15 1.389(8) . ?
C15 C16 1.497(7) . ?
C17 C18 1.481(7) . ?
C18 C19 1.391(7) . ?
C18 C23 1.395(7) . ?
C19 C20 1.383(9) . ?
C20 C21 1.383(10) . ?
C21 C22 1.380(9) . ?
C22 C23 1.389(8) . ?
C23 C24 1.499(7) . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 La1 O3 C8 100.3(3) 2_766 . . . ?
O6 La1 O3 C8 -56.0(3) 2_776 . . . ?
O7 La1 O3 C8 23.4(3) . . . . ?
O9 La1 O3 C8 138.9(3) 2_776 . . . ?
O11 La1 O3 C8 -169.9(4) 1_655 . . . ?
O10 La1 O3 C8 -111.0(3) 1_655 . . . ?
O5 La1 O3 C8 -32.8(5) . . . . ?
O1 La2 O4 C8 151.4(9) 2_666 . . . ?
O10 La2 O4 C8 -74.1(10) 2_676 . . . ?
O13 La2 O4 C8 147.5(10) . . . . ?
O11 La2 O4 C8 27.4(10) . . . . ?
O7 La2 O4 C8 -104.9(9) . . . . ?
O5 La2 O4 C8 -35.5(9) 2_776 . . . ?
O12 La2 O4 C8 34.9(9) . . . . ?
O8 La2 O4 C8 -146.9(9) . . . . ?
C17 La2 O4 C8 28.1(9) . . . . ?
C16 La2 O4 C8 -125.5(9) . . . . ?
O2 La1 O5 C9 -47.1(4) 2_766 . . . ?
O6 La1 O5 C9 99.6(3) 2_776 . . . ?
O7 La1 O5 C9 16.5(3) . . . . ?
O9 La1 O5 C9 -95.5(3) 2_776 . . . ?
O11 La1 O5 C9 -152.7(3) 1_655 . . . ?
O3 La1 O5 C9 78.1(4) . . . . ?
O10 La1 O5 C9 167.2(4) 1_655 . . . ?
O2 La1 O5 La2 146.38(13) 2_766 . . 2_776 ?
O6 La1 O5 La2 -66.91(15) 2_776 . . 2_776 ?
O7 La1 O5 La2 -150.08(17) . . . 2_776 ?
O9 La1 O5 La2 97.96(15) 2_776 . . 2_776 ?
O11 La1 O5 La2 40.70(18) 1_655 . . 2_776 ?
O3 La1 O5 La2 -88.5(3) . . . 2_776 ?
O10 La1 O5 La2 0.63(10) 1_655 . . 2_776 ?
O2 La1 O7 C16 38.8(4) 2_766 . . . ?
O6 La1 O7 C16 176.3(4) 2_776 . . . ?
O9 La1 O7 C16 -29.7(4) 2_776 . . . ?
O11 La1 O7 C16 53.4(6) 1_655 . . . ?
O3 La1 O7 C16 109.0(4) . . . . ?
O10 La1 O7 C16 -122.2(4) 1_655 . . . ?
O5 La1 O7 C16 -90.7(4) . . . . ?
O2 La1 O7 La2 -101.59(17) 2_766 . . . ?
O6 La1 O7 La2 35.97(15) 2_776 . . . ?
O9 La1 O7 La2 -170.01(14) 2_776 . . . ?
O11 La1 O7 La2 -86.9(4) 1_655 . . . ?
O3 La1 O7 La2 -31.38(17) . . . . ?
O10 La1 O7 La2 97.41(17) 1_655 . . . ?
O5 La1 O7 La2 128.94(18) . . . . ?
O4 La2 O7 C16 -123.4(3) . . . . ?
O1 La2 O7 C16 8.5(3) 2_666 . . . ?
O10 La2 O7 C16 78.4(3) 2_676 . . . ?
O13 La2 O7 C16 -58.8(3) . . . . ?
O11 La2 O7 C16 115.0(3) . . . . ?
O5 La2 O7 C16 146.8(3) 2_776 . . . ?
O12 La2 O7 C16 -177.1(3) . . . . ?
O8 La2 O7 C16 -6.5(3) . . . . ?
C17 La2 O7 C16 150.7(3) . . . . ?
O4 La2 O7 La1 28.69(15) . . . . ?
O1 La2 O7 La1 160.51(15) 2_666 . . . ?
O10 La2 O7 La1 -129.58(17) 2_676 . . . ?
O13 La2 O7 La1 93.27(17) . . . . ?
O11 La2 O7 La1 -92.95(18) . . . . ?
O5 La2 O7 La1 -61.18(15) 2_776 . . . ?
O12 La2 O7 La1 -25.0(2) . . . . ?
O8 La2 O7 La1 145.5(2) . . . . ?
C17 La2 O7 La1 -57.2(2) . . . . ?
C16 La2 O7 La1 152.0(4) . . . . ?
O4 La2 O8 C16 63.3(3) . . . . ?
O1 La2 O8 C16 -158.4(4) 2_666 . . . ?
O10 La2 O8 C16 -73.6(3) 2_676 . . . ?
O13 La2 O8 C16 129.7(4) . . . . ?
O11 La2 O8 C16 -109.8(3) . . . . ?
O7 La2 O8 C16 6.8(3) . . . . ?
O5 La2 O8 C16 -19.9(4) 2_776 . . . ?
O12 La2 O8 C16 76.0(9) . . . . ?
C17 La2 O8 C16 -99.7(5) . . . . ?
O4 La2 O11 C17 1.8(3) . . . . ?
O1 La2 O11 C17 -142.5(3) 2_666 . . . ?
O10 La2 O11 C17 136.1(3) 2_676 . . . ?
O13 La2 O11 C17 -88.6(3) . . . . ?
O7 La2 O11 C17 99.0(3) . . . . ?
O5 La2 O11 C17 68.4(3) 2_776 . . . ?
O12 La2 O11 C17 -7.9(2) . . . . ?
O8 La2 O11 C17 173.1(2) . . . . ?
C16 La2 O11 C17 135.9(3) . . . . ?
O4 La2 O11 La1 163.63(14) . . . 1_455 ?
O1 La2 O11 La1 19.31(15) 2_666 . . 1_455 ?
O10 La2 O11 La1 -62.09(14) 2_676 . . 1_455 ?
O13 La2 O11 La1 73.26(19) . . . 1_455 ?
O7 La2 O11 La1 -99.15(17) . . . 1_455 ?
O5 La2 O11 La1 -129.73(16) 2_776 . . 1_455 ?
O12 La2 O11 La1 153.9(2) . . . 1_455 ?
O8 La2 O11 La1 -25.0(2) . . . 1_455 ?
C17 La2 O11 La1 161.9(3) . . . 1_455 ?
C16 La2 O11 La1 -62.2(2) . . . 1_455 ?
O4 La2 O12 C17 -164.1(3) . . . . ?
O1 La2 O12 C17 60.5(3) 2_666 . . . ?
O10 La2 O12 C17 -28.8(3) 2_676 . . . ?
O13 La2 O12 C17 131.4(3) . . . . ?
O11 La2 O12 C17 8.0(2) . . . . ?
O7 La2 O12 C17 -113.8(3) . . . . ?
O5 La2 O12 C17 -78.0(3) 2_776 . . . ?
O8 La2 O12 C17 -177.0(7) . . . . ?
C16 La2 O12 C17 -116.5(3) . . . . ?
La2 O1 C1 O2 15.7(9) 2_666 . . . ?
La2 O1 C1 C2 -163.4(4) 2_666 . . . ?
La1 O2 C1 O1 35.7(8) 2_766 . . . ?
La1 O2 C1 C2 -145.2(4) 2_766 . . . ?
O1 C1 C2 C3 -48.5(7) . . . . ?
O2 C1 C2 C3 132.3(6) . . . . ?
O1 C1 C2 C7 133.9(5) . . . . ?
O2 C1 C2 C7 -45.2(7) . . . . ?
C7 C2 C3 C4 1.5(10) . . . . ?
C1 C2 C3 C4 -176.1(6) . . . . ?
C2 C3 C4 C5 -0.8(12) . . . . ?
C3 C4 C5 C6 0.8(13) . . . . ?
C4 C5 C6 C7 -1.6(11) . . . . ?
C5 C6 C7 C2 2.3(9) . . . . ?
C5 C6 C7 C8 -170.1(6) . . . . ?
C3 C2 C7 C6 -2.2(8) . . . . ?
C1 C2 C7 C6 175.3(5) . . . . ?
C3 C2 C7 C8 169.8(5) . . . . ?
C1 C2 C7 C8 -12.6(7) . . . . ?
La2 O4 C8 O3 113.2(9) . . . . ?
La2 O4 C8 C7 -61.3(10) . . . . ?
La1 O3 C8 O4 -29.5(6) . . . . ?
La1 O3 C8 C7 144.8(3) . . . . ?
C6 C7 C8 O4 128.1(5) . . . . ?
C2 C7 C8 O4 -44.1(7) . . . . ?
C6 C7 C8 O3 -46.6(7) . . . . ?
C2 C7 C8 O3 141.2(5) . . . . ?
La1 O6 C9 O5 29.0(7) 2_776 . . . ?
La1 O6 C9 C10 -151.8(3) 2_776 . . . ?
La2 O5 C9 O6 49.5(6) 2_776 . . . ?
La1 O5 C9 O6 -115.1(4) . . . . ?
La2 O5 C9 C10 -129.6(4) 2_776 . . . ?
La1 O5 C9 C10 65.7(5) . . . . ?
O6 C9 C10 C11 -93.3(5) . . . . ?
O5 C9 C10 C11 86.0(6) . . . . ?
O6 C9 C10 C15 82.2(6) . . . . ?
O5 C9 C10 C15 -98.5(5) . . . . ?
C15 C10 C11 C12 2.8(8) . . . . ?
C9 C10 C11 C12 178.3(5) . . . . ?
C10 C11 C12 C13 -1.7(10) . . . . ?
C11 C12 C13 C14 -0.5(12) . . . . ?
C12 C13 C14 C15 1.6(11) . . . . ?
C13 C14 C15 C10 -0.5(9) . . . . ?
C13 C14 C15 C16 -178.5(6) . . . . ?
C11 C10 C15 C14 -1.6(8) . . . . ?
C9 C10 C15 C14 -177.1(5) . . . . ?
C11 C10 C15 C16 176.4(5) . . . . ?
C9 C10 C15 C16 0.9(7) . . . . ?
La2 O8 C16 O7 -12.2(5) . . . . ?
La2 O8 C16 C15 163.0(4) . . . . ?
La1 O7 C16 O8 -134.5(4) . . . . ?
La2 O7 C16 O8 12.7(5) . . . . ?
La1 O7 C16 C15 50.1(6) . . . . ?
La2 O7 C16 C15 -162.7(4) . . . . ?
La1 O7 C16 La2 -147.2(4) . . . . ?
C14 C15 C16 O8 34.1(8) . . . . ?
C10 C15 C16 O8 -143.9(5) . . . . ?
C14 C15 C16 O7 -150.5(5) . . . . ?
C10 C15 C16 O7 31.5(7) . . . . ?
C14 C15 C16 La2 139.3(11) . . . . ?
C10 C15 C16 La2 -38.8(15) . . . . ?
O4 La2 C16 O8 -116.2(3) . . . . ?
O1 La2 C16 O8 19.8(3) 2_666 . . . ?
O10 La2 C16 O8 98.9(3) 2_676 . . . ?
O13 La2 C16 O8 -46.1(3) . . . . ?
O11 La2 C16 O8 99.1(3) . . . . ?
O7 La2 C16 O8 -167.9(5) . . . . ?
O5 La2 C16 O8 161.6(3) 2_776 . . . ?
O12 La2 C16 O8 -162.8(3) . . . . ?
C17 La2 C16 O8 140.4(3) . . . . ?
O4 La2 C16 O7 51.6(3) . . . . ?
O1 La2 C16 O7 -172.3(3) 2_666 . . . ?
O10 La2 C16 O7 -93.2(3) 2_676 . . . ?
O13 La2 C16 O7 121.8(3) . . . . ?
O11 La2 C16 O7 -93.1(3) . . . . ?
O5 La2 C16 O7 -30.6(3) 2_776 . . . ?
O12 La2 C16 O7 5.0(5) . . . . ?
O8 La2 C16 O7 167.9(5) . . . . ?
C17 La2 C16 O7 -51.8(4) . . . . ?
O4 La2 C16 C15 130.2(13) . . . . ?
O1 La2 C16 C15 -93.7(13) 2_666 . . . ?
O10 La2 C16 C15 -14.6(12) 2_676 . . . ?
O13 La2 C16 C15 -159.6(13) . . . . ?
O11 La2 C16 C15 -14.5(14) . . . . ?
O7 La2 C16 C15 78.6(13) . . . . ?
O5 La2 C16 C15 48.0(13) 2_776 . . . ?
O12 La2 C16 C15 83.6(13) . . . . ?
O8 La2 C16 C15 -113.5(14) . . . . ?
C17 La2 C16 C15 26.8(14) . . . . ?
La2 O12 C17 O11 -14.4(4) . . . . ?
La2 O12 C17 C18 164.4(4) . . . . ?
La1 O11 C17 O12 -143.8(3) 1_455 . . . ?
La2 O11 C17 O12 14.7(4) . . . . ?
La1 O11 C17 C18 37.3(6) 1_455 . . . ?
La2 O11 C17 C18 -164.2(3) . . . . ?
La1 O11 C17 La2 -158.5(4) 1_455 . . . ?
O4 La2 C17 O12 15.9(3) . . . . ?
O1 La2 C17 O12 -127.2(3) 2_666 . . . ?
O10 La2 C17 O12 153.4(3) 2_676 . . . ?
O13 La2 C17 O12 -57.4(3) . . . . ?
O11 La2 C17 O12 -165.5(4) . . . . ?
O7 La2 C17 O12 87.8(3) . . . . ?
O5 La2 C17 O12 91.8(3) 2_776 . . . ?
O8 La2 C17 O12 178.6(3) . . . . ?
C16 La2 C17 O12 115.1(4) . . . . ?
O4 La2 C17 O11 -178.5(2) . . . . ?
O1 La2 C17 O11 38.3(3) 2_666 . . . ?
O10 La2 C17 O11 -41.1(3) 2_676 . . . ?
O13 La2 C17 O11 108.1(3) . . . . ?
O7 La2 C17 O11 -106.7(3) . . . . ?
O5 La2 C17 O11 -102.7(3) 2_776 . . . ?
O12 La2 C17 O11 165.5(4) . . . . ?
O8 La2 C17 O11 -15.9(5) . . . . ?
C16 La2 C17 O11 -79.4(4) . . . . ?
O4 La2 C17 C18 -93.3(13) . . . . ?
O1 La2 C17 C18 123.6(13) 2_666 . . . ?
O10 La2 C17 C18 44.2(13) 2_676 . . . ?
O13 La2 C17 C18 -166.6(13) . . . . ?
O11 La2 C17 C18 85.3(14) . . . . ?
O7 La2 C17 C18 -21.4(14) . . . . ?
O5 La2 C17 C18 -17.4(13) 2_776 . . . ?
O12 La2 C17 C18 -109.2(14) . . . . ?
O8 La2 C17 C18 69.4(15) . . . . ?
C16 La2 C17 C18 5.9(15) . . . . ?
O12 C17 C18 C19 36.5(7) . . . . ?
O11 C17 C18 C19 -144.7(5) . . . . ?
La2 C17 C18 C19 137.8(12) . . . . ?
O12 C17 C18 C23 -146.8(5) . . . . ?
O11 C17 C18 C23 32.0(6) . . . . ?
La2 C17 C18 C23 -45.5(15) . . . . ?
C23 C18 C19 C20 -2.0(8) . . . . ?
C17 C18 C19 C20 174.7(5) . . . . ?
C18 C19 C20 C21 0.5(9) . . . . ?
C19 C20 C21 C22 1.1(9) . . . . ?
C20 C21 C22 C23 -1.3(9) . . . . ?
C21 C22 C23 C18 -0.2(8) . . . . ?
C21 C22 C23 C24 176.0(5) . . . . ?
C19 C18 C23 C22 1.8(7) . . . . ?
C17 C18 C23 C22 -174.9(4) . . . . ?
C19 C18 C23 C24 -174.4(4) . . . . ?
C17 C18 C23 C24 8.9(6) . . . . ?
La1 O9 C24 O10 26.7(8) 2_776 . . . ?
La1 O9 C24 C23 -152.7(4) 2_776 . . . ?
La2 O10 C24 O9 47.9(6) 2_676 . . . ?
La1 O10 C24 O9 -110.6(4) 1_455 . . . ?
La2 O10 C24 C23 -132.7(4) 2_676 . . . ?
La1 O10 C24 C23 68.8(4) 1_455 . . . ?
C22 C23 C24 O9 -106.6(6) . . . . ?
C18 C23 C24 O9 69.5(6) . . . . ?
C22 C23 C24 O10 74.0(6) . . . . ?
C18 C23 C24 O10 -109.8(5) . . . . ?
