#------------------------------------------------------------------------------
#$Date: 2019-11-07 21:56:35 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223657 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/21/7232115.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_7232115
loop_
_publ_author_name
'Skoulika, Stavroula'
'Siskos, Michael G.'
'Michaelides, Adonis'
_publ_section_title
;
 2D to 3D solvent mediated transformation of a photoreactive lanthanum
 MOF: a case of three parallel photo-cycloaddition reactions
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              1137
_journal_paper_doi               10.1039/C8CE01983E
_journal_volume                  21
_journal_year                    2019
_chemical_formula_sum            'C9 H13 La O9.5'
_chemical_formula_weight         412.10
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_audit_update_record
;
2018-11-07 deposited with the CCDC.
2019-01-09 downloaded from the CCDC.
;
_cell_angle_alpha                95.505(6)
_cell_angle_beta                 106.522(6)
_cell_angle_gamma                113.650(7)
_cell_formula_units_Z            2
_cell_length_a                   7.9686(6)
_cell_length_b                   8.6786(6)
_cell_length_c                   11.2515(8)
_cell_measurement_reflns_used    2440
_cell_measurement_temperature    277.3(1)
_cell_measurement_theta_max      27.4760
_cell_measurement_theta_min      3.2910
_cell_volume                     663.50(10)
_computing_cell_refinement       ?CrysAlisPro?
_computing_data_collection       ?CrysAlisPro?
_computing_data_reduction        ?CrysAlisPro?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      277.3(1)
_diffrn_detector_area_resol_mean 16.1544
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.623
_diffrn_measurement_device_type  ?Xcalibur?
_diffrn_measurement_method       ?CCD?
_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  0.0341
_diffrn_reflns_av_sigmaI/netI    0.0646
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5253
_diffrn_reflns_theta_full        25.295
_diffrn_reflns_theta_max         28.26
_diffrn_reflns_theta_min         2.88
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    3.262
_exptl_absorpt_correction_T_max  1.055
_exptl_absorpt_correction_T_min  0.946
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ?ABSPACK?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.063
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             400
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.592
_refine_diff_density_min         -0.653
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     205
_refine_ls_number_reflns         2774
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0420
_refine_ls_R_factor_gt           0.0329
_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)+(0.0071P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0475
_refine_ls_wR_factor_ref         0.0506
_reflns_number_gt                2415
_reflns_number_total             2774
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8ce01983e2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7232115.cif.
;
_cod_original_cell_volume        663.50(8)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C9 H13 La O9.50'
_cod_database_code               7232115
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
La1 La 0.94958(4) 0.73859(3) 0.02908(2) 0.01448(7) Uani 1 1 d .
O1 O 0.8589(4) 0.4260(3) -0.1157(2) 0.0225(7) Uani 1 1 d .
O2 O 0.6602(4) 0.5431(3) -0.1801(2) 0.0250(7) Uani 1 1 d .
O3 O 0.0609(4) 0.0659(3) -0.8674(2) 0.0201(7) Uani 1 1 d .
O4 O 0.2824(4) -0.0259(3) -0.7951(2) 0.0249(7) Uani 1 1 d .
O5 O 0.7423(4) 0.4999(3) 0.1228(2) 0.0229(7) Uani 1 1 d .
O6 O 0.9366(5) 0.7486(4) 0.2654(3) 0.0335(8) Uani 1 1 d .
O1W O 0.6424(5) 0.7763(4) 0.0056(3) 0.0319(8) Uani 1 1 d D
O2W O 1.1992(5) 0.7833(4) -0.0749(3) 0.0393(9) Uani 1 1 d D
O3W O 0.6465(7) 0.9916(6) 0.2143(4) 0.0660(12) Uani 1 1 d D
O4W O 0.9121(14) 1.0139(13) 0.4354(8) 0.069(2) Uani 0.50 1 d PD
C1 C 0.7189(6) 0.4339(5) -0.2016(4) 0.0188(9) Uani 1 1 d .
C2 C 0.6366(6) 0.3140(5) -0.3286(4) 0.0209(10) Uani 1 1 d .
H2 H 0.6841 0.2339 -0.3400 0.025 Uiso 1 1 calc R
C3 C 0.4970(6) 0.3154(5) -0.4279(4) 0.0223(10) Uani 1 1 d .
H3 H 0.4447 0.3915 -0.4161 0.027 Uiso 1 1 calc R
C4 C 0.4249(6) 0.2026(5) -0.5528(4) 0.0234(10) Uani 1 1 d .
H4 H 0.4795 0.1278 -0.5633 0.028 Uiso 1 1 calc R
C5 C 0.2857(6) 0.1987(5) -0.6537(4) 0.0208(10) Uani 1 1 d .
H5 H 0.2335 0.2760 -0.6457 0.025 Uiso 1 1 calc R
C6 C 0.2111(6) 0.0758(5) -0.7782(4) 0.0195(10) Uani 1 1 d .
C7 C 0.8378(6) 0.5876(6) 0.2393(4) 0.0228(10) Uani 1 1 d .
C8 C 0.8429(7) 0.4878(6) 0.3393(4) 0.0295(11) Uani 1 1 d .
H8 H 0.7405 0.3779 0.3225 0.035 Uiso 1 1 calc R
C9 C 0.9891(7) 0.5498(6) 0.4527(4) 0.0324(12) Uani 1 1 d .
H9 H 1.0830 0.6644 0.4720 0.039 Uiso 1 1 calc R
H2WA H 1.261(7) 0.856(5) -0.110(5) 0.080 Uiso 1 1 d D
H2WB H 1.219(8) 0.698(5) -0.098(5) 0.080 Uiso 1 1 d D
H3WA H 0.734(6) 1.012(8) 0.286(3) 0.080 Uiso 1 1 d D
H1WA H 0.546(5) 0.680(4) -0.030(5) 0.080 Uiso 1 1 d D
H1WB H 0.622(8) 0.820(6) 0.065(4) 0.080 Uiso 1 1 d D
H4WA H 0.991(17) 1.059(14) 0.510(5) 0.080 Uiso 0.50 1 d PD
H4WB H 0.918(18) 0.922(9) 0.413(9) 0.080 Uiso 0.50 1 d PD
H3WB H 0.548(5) 0.983(7) 0.233(5) 0.080 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'
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
O2W La1 O1W 140.83(12) . .
O2W La1 O1 71.68(10) . 2_765
O1W La1 O1 145.51(11) . 2_765
O2W La1 O2 92.81(11) . .
O1W La1 O2 67.12(9) . .
O1 La1 O2 109.19(9) 2_765 .
O2W La1 O5 137.74(10) . .
O1W La1 O5 74.29(10) . .
O1 La1 O5 71.33(9) 2_765 .
O2 La1 O5 80.72(9) . .
O2W La1 O3 67.14(10) . 2_664
O1W La1 O3 74.77(10) . 2_664
O1 La1 O3 138.82(9) 2_765 2_664
O2 La1 O3 73.31(9) . 2_664
O5 La1 O3 145.42(9) . 2_664
O2W La1 O3 98.61(10) . 1_666
O1W La1 O3 72.33(9) . 1_666
O1 La1 O3 122.95(8) 2_765 1_666
O2 La1 O3 127.64(8) . 1_666
O5 La1 O3 118.44(8) . 1_666
O3 La1 O3 65.03(9) 2_664 1_666
O2W La1 O4 75.76(11) . 1_666
O1W La1 O4 117.62(9) . 1_666
O1 La1 O4 74.44(8) 2_765 1_666
O2 La1 O4 166.48(9) . 1_666
O5 La1 O4 112.58(9) . 1_666
O3 La1 O4 95.27(9) 2_664 1_666
O3 La1 O4 49.21(8) 1_666 1_666
O2W La1 O6 137.60(11) . .
O1W La1 O6 77.81(10) . .
O1 La1 O6 77.95(9) 2_765 .
O2 La1 O6 125.31(10) . .
O5 La1 O6 49.28(9) . .
O3 La1 O6 135.72(8) 2_664 .
O3 La1 O6 73.88(8) 1_666 .
O4 La1 O6 67.95(9) 1_666 .
O2W La1 O1 71.83(10) . .
O1W La1 O1 110.82(9) . .
O1 La1 O1 60.99(10) 2_765 .
O2 La1 O1 48.76(8) . .
O5 La1 O1 72.82(8) . .
O3 La1 O1 104.63(8) 2_664 .
O3 La1 O1 168.52(8) 1_666 .
O4 La1 O1 130.92(8) 1_666 .
O6 La1 O1 117.43(9) . .
O2W La1 C6 91.55(12) . 1_666
O1W La1 C6 93.34(11) . 1_666
O1 La1 C6 97.40(10) 2_765 1_666
O2 La1 C6 153.07(10) . 1_666
O5 La1 C6 112.80(10) . 1_666
O3 La1 C6 84.03(10) 2_664 1_666
O3 La1 C6 25.56(9) 1_666 1_666
O4 La1 C6 24.77(9) 1_666 1_666
O6 La1 C6 63.52(10) . 1_666
O1 La1 C6 155.66(10) . 1_666
O2W La1 C7 139.90(12) . .
O1W La1 C7 79.16(12) . .
O1 La1 C7 68.66(10) 2_765 .
O2 La1 C7 105.40(11) . .
O5 La1 C7 25.37(10) . .
O3 La1 C7 152.13(10) 2_664 .
O3 La1 C7 97.81(10) 1_666 .
O4 La1 C7 88.09(11) 1_666 .
O6 La1 C7 24.69(9) . .
O1 La1 C7 93.64(10) . .
C6 La1 C7 87.84(11) 1_666 .
C1 O1 La1 150.2(3) . 2_765
C1 O1 La1 90.7(2) . .
La1 O1 La1 119.01(10) 2_765 .
C1 O2 La1 97.9(2) . .
C6 O3 La1 128.5(3) . 2_664
C6 O3 La1 92.5(2) . 1_444
La1 O3 La1 114.97(9) 2_664 1_444
C6 O4 La1 93.0(2) . 1_444
C7 O5 La1 94.4(2) . .
C7 O6 La1 91.6(2) . .
La1 O1W H1WA 107(4) . .
La1 O1W H1WB 125(4) . .
H1WA O1W H1WB 107(5) . .
La1 O2W H2WA 138(4) . .
La1 O2W H2WB 119(4) . .
H2WA O2W H2WB 101(4) . .
H3WA O3W H3WB 104(5) . .
O4W O4W H4WA 37(8) 2_776 .
O4W O4W H4WB 70(7) 2_776 .
H4WA O4W H4WB 106(8) . .
O2 C1 O1 121.1(4) . .
O2 C1 C2 121.4(4) . .
O1 C1 C2 117.4(4) . .
O2 C1 La1 58.1(2) . .
O1 C1 La1 64.2(2) . .
C2 C1 La1 166.0(3) . .
C3 C2 C1 123.1(4) . .
C3 C2 H2 118.4 . .
C1 C2 H2 118.4 . .
C2 C3 C4 122.3(4) . .
C2 C3 H3 118.9 . .
C4 C3 H3 118.9 . .
C5 C4 C3 124.3(4) . .
C5 C4 H4 117.9 . .
C3 C4 H4 117.9 . .
C4 C5 C6 122.2(4) . .
C4 C5 H5 118.9 . .
C6 C5 H5 118.9 . .
O4 C6 O3 119.9(4) . .
O4 C6 C5 121.2(4) . .
O3 C6 C5 118.7(4) . .
O4 C6 La1 62.3(2) . 1_444
O3 C6 La1 62.0(2) . 1_444
C5 C6 La1 154.8(3) . 1_444
O6 C7 O5 120.9(4) . .
O6 C7 C8 121.8(4) . .
O5 C7 C8 117.0(4) . .
O6 C7 La1 63.7(2) . .
O5 C7 La1 60.2(2) . .
C8 C7 La1 156.1(3) . .
C9 C8 C7 122.6(4) . .
C9 C8 H8 118.7 . .
C7 C8 H8 118.7 . .
C8 C9 C9 124.4(6) . 2_766
C8 C9 H9 117.8 . .
C9 C9 H9 117.8 2_766 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O2W 2.503(3) .
La1 O1W 2.542(3) .
La1 O1 2.547(3) 2_765
La1 O2 2.596(3) .
La1 O5 2.607(3) .
La1 O3 2.610(3) 2_664
La1 O3 2.640(3) 1_666
La1 O4 2.649(3) 1_666
La1 O6 2.685(3) .
La1 O1 2.728(3) .
La1 C6 2.988(4) 1_666
La1 C7 2.994(4) .
O1 C1 1.282(4) .
O1 La1 2.547(3) 2_765
O2 C1 1.246(4) .
O3 C6 1.290(4) .
O3 La1 2.610(3) 2_664
O3 La1 2.640(3) 1_444
O4 C6 1.253(4) .
O4 La1 2.649(3) 1_444
O5 C7 1.286(5) .
O6 C7 1.251(5) .
O1W H1WA 0.84(2) .
O1W H1WB 0.822(19) .
O2W H2WA 0.84(2) .
O2W H2WB 0.848(19) .
O3W H3WA 0.85(2) .
O3W H3WB 0.84(2) .
O4W O4W 1.821(19) 2_776
O4W H4WA 0.83(5) .
O4W H4WB 0.83(3) .
C1 C2 1.480(5) .
C2 C3 1.338(5) .
C2 H2 0.9300 .
C3 C4 1.446(5) .
C3 H3 0.9300 .
C4 C5 1.329(5) .
C4 H4 0.9300 .
C5 C6 1.478(5) .
C5 H5 0.9300 .
C6 La1 2.988(4) 1_444
C7 C8 1.485(6) .
C8 C9 1.339(6) .
C8 H8 0.9300 .
C9 C9 1.450(8) 2_766
C9 H9 0.9300 .
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_4
O2W La1 O1 C1 -104.0(3) . .
O1W La1 O1 C1 34.4(3) . .
O1 La1 O1 C1 177.3(3) 2_765 .
O2 La1 O1 C1 6.9(2) . .
O5 La1 O1 C1 99.6(2) . .
O3 La1 O1 C1 -44.5(2) 2_664 .
O3 La1 O1 C1 -69.5(5) 1_666 .
O4 La1 O1 C1 -155.1(2) 1_666 .
O6 La1 O1 C1 121.2(2) . .
C6 La1 O1 C1 -153.0(3) 1_666 .
C7 La1 O1 C1 114.2(2) . .
O2W La1 O1 La1 78.68(14) . 2_765
O1W La1 O1 La1 -142.89(13) . 2_765
O1 La1 O1 La1 0.001(2) 2_765 2_765
O2 La1 O1 La1 -170.44(19) . 2_765
O5 La1 O1 La1 -77.77(12) . 2_765
O3 La1 O1 La1 138.14(12) 2_664 2_765
O3 La1 O1 La1 113.2(4) 1_666 2_765
O4 La1 O1 La1 27.53(18) 1_666 2_765
O6 La1 O1 La1 -56.17(15) . 2_765
C6 La1 O1 La1 29.7(3) 1_666 2_765
C7 La1 O1 La1 -63.10(14) . 2_765
O2W La1 O2 C1 55.6(3) . .
O1W La1 O2 C1 -159.2(3) . .
O1 La1 O2 C1 -16.0(3) 2_765 .
O5 La1 O2 C1 -82.4(3) . .
O3 La1 O2 C1 120.7(3) 2_664 .
O3 La1 O2 C1 158.7(2) 1_666 .
O4 La1 O2 C1 87.4(4) 1_666 .
O6 La1 O2 C1 -104.6(3) . .
O1 La1 O2 C1 -7.2(2) . .
C6 La1 O2 C1 154.6(3) 1_666 .
C7 La1 O2 C1 -88.3(3) . .
O2W La1 O5 C7 109.5(3) . .
O1W La1 O5 C7 -97.9(2) . .
O1 La1 O5 C7 79.4(2) 2_765 .
O2 La1 O5 C7 -166.6(2) . .
O3 La1 O5 C7 -125.2(2) 2_664 .
O3 La1 O5 C7 -38.6(3) 1_666 .
O4 La1 O5 C7 16.0(3) 1_666 .
O6 La1 O5 C7 -10.6(2) . .
O1 La1 O5 C7 143.8(2) . .
C6 La1 O5 C7 -10.9(3) 1_666 .
O2W La1 O6 C7 -109.5(3) . .
O1W La1 O6 C7 90.5(3) . .
O1 La1 O6 C7 -64.7(3) 2_765 .
O2 La1 O6 C7 40.4(3) . .
O5 La1 O6 C7 10.9(2) . .
O3 La1 O6 C7 143.2(2) 2_664 .
O3 La1 O6 C7 165.4(3) 1_666 .
O4 La1 O6 C7 -142.7(3) 1_666 .
O1 La1 O6 C7 -16.8(3) . .
C6 La1 O6 C7 -169.4(3) 1_666 .
La1 O2 C1 O1 13.5(4) . .
La1 O2 C1 C2 -163.6(3) . .
La1 O1 C1 O2 162.6(3) 2_765 .
La1 O1 C1 O2 -12.7(4) . .
La1 O1 C1 C2 -20.2(8) 2_765 .
La1 O1 C1 C2 164.5(3) . .
La1 O1 C1 La1 175.3(5) 2_765 .
O2W La1 C1 O2 -123.0(3) . .
O1W La1 C1 O2 19.1(3) . .
O1 La1 C1 O2 164.9(3) 2_765 .
O5 La1 C1 O2 93.1(3) . .
O3 La1 C1 O2 -55.6(3) 2_664 .
O3 La1 C1 O2 -34.1(4) 1_666 .
O4 La1 C1 O2 -150.1(2) 1_666 .
O6 La1 C1 O2 93.4(3) . .
O1 La1 C1 O2 167.2(4) . .
C6 La1 C1 O2 -87.0(7) 1_666 .
C7 La1 C1 O2 97.9(3) . .
O2W La1 C1 O1 69.8(2) . .
O1W La1 C1 O1 -148.1(2) . .
O1 La1 C1 O1 -2.3(3) 2_765 .
O2 La1 C1 O1 -167.2(4) . .
O5 La1 C1 O1 -74.1(2) . .
O3 La1 C1 O1 137.2(2) 2_664 .
O3 La1 C1 O1 158.7(2) 1_666 .
O4 La1 C1 O1 42.7(4) 1_666 .
O6 La1 C1 O1 -73.8(3) . .
C6 La1 C1 O1 105.8(6) 1_666 .
C7 La1 C1 O1 -69.3(2) . .
O2W La1 C1 C2 -30.5(12) . .
O1W La1 C1 C2 111.6(12) . .
O1 La1 C1 C2 -102.6(12) 2_765 .
O2 La1 C1 C2 92.5(12) . .
O5 La1 C1 C2 -174.4(12) . .
O3 La1 C1 C2 36.9(12) 2_664 .
O3 La1 C1 C2 58.4(13) 1_666 .
O4 La1 C1 C2 -57.6(13) 1_666 .
O6 La1 C1 C2 -174.0(12) . .
O1 La1 C1 C2 -100.3(13) . .
C6 La1 C1 C2 5.5(16) 1_666 .
C7 La1 C1 C2 -169.6(12) . .
O2 C1 C2 C3 0.6(7) . .
O1 C1 C2 C3 -176.6(4) . .
La1 C1 C2 C3 -83.3(13) . .
C1 C2 C3 C4 177.1(4) . .
C2 C3 C4 C5 179.5(4) . .
C3 C4 C5 C6 -177.4(4) . .
La1 O4 C6 O3 -23.8(4) 1_444 .
La1 O4 C6 C5 151.3(4) 1_444 .
La1 O3 C6 O4 -101.2(4) 2_664 .
La1 O3 C6 O4 23.9(4) 1_444 .
La1 O3 C6 C5 83.6(4) 2_664 .
La1 O3 C6 C5 -151.4(3) 1_444 .
La1 O3 C6 La1 -125.1(3) 2_664 1_444
C4 C5 C6 O4 -3.0(7) . .
C4 C5 C6 O3 172.2(4) . .
C4 C5 C6 La1 87.6(8) . 1_444
La1 O6 C7 O5 -19.8(4) . .
La1 O6 C7 C8 153.4(4) . .
La1 O5 C7 O6 20.4(4) . .
La1 O5 C7 C8 -153.0(3) . .
O2W La1 C7 O6 99.3(3) . .
O1W La1 C7 O6 -84.4(3) . .
O1 La1 C7 O6 108.3(3) 2_765 .
O2 La1 C7 O6 -146.8(2) . .
O5 La1 C7 O6 -160.5(4) . .
O3 La1 C7 O6 -63.4(4) 2_664 .
O3 La1 C7 O6 -14.1(3) 1_666 .
O4 La1 C7 O6 34.2(3) 1_666 .
O1 La1 C7 O6 165.1(3) . .
C6 La1 C7 O6 9.5(3) 1_666 .
O2W La1 C7 O5 -100.2(3) . .
O1W La1 C7 O5 76.1(2) . .
O1 La1 C7 O5 -91.3(2) 2_765 .
O2 La1 C7 O5 13.7(2) . .
O3 La1 C7 O5 97.0(3) 2_664 .
O3 La1 C7 O5 146.4(2) 1_666 .
O4 La1 C7 O5 -165.3(2) 1_666 .
O6 La1 C7 O5 160.5(4) . .
O1 La1 C7 O5 -34.4(2) . .
C6 La1 C7 O5 169.9(2) 1_666 .
O2W La1 C7 C8 -10.3(9) . .
O1W La1 C7 C8 166.1(8) . .
O1 La1 C7 C8 -1.3(8) 2_765 .
O2 La1 C7 C8 103.7(8) . .
O5 La1 C7 C8 90.0(8) . .
O3 La1 C7 C8 -173.0(7) 2_664 .
O3 La1 C7 C8 -123.7(8) 1_666 .
O4 La1 C7 C8 -75.3(8) 1_666 .
O6 La1 C7 C8 -109.6(9) . .
O1 La1 C7 C8 55.6(8) . .
C6 La1 C7 C8 -100.1(8) 1_666 .
O6 C7 C8 C9 -20.0(7) . .
O5 C7 C8 C9 153.4(4) . .
La1 C7 C8 C9 76.4(9) . .
C7 C8 C9 C9 -173.0(5) . 2_766
