#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:27:35 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180430 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/99/7209907.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_7209907
loop_
_publ_author_name
'Sun, Xiao-Li'
'Shen, Bing-Xue'
'Zang, Shuang-Quan'
'Du, Chen-Xia'
_publ_section_title
;
 Effect of lanthanide contraction on crystal structures of Ln(iii)
 coordination polymers with dinuclear SBUs based on
 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid
;
_journal_issue                   29
_journal_name_full               CrystEngComm
_journal_page_first              5910
_journal_paper_doi               10.1039/c3ce40236c
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C14 H11 La N O9, 3(H2 O)'
_chemical_formula_sum            'C14 H17 La N O12'
_chemical_formula_weight         530.20
_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                112.188(4)
_cell_angle_beta                 93.106(3)
_cell_angle_gamma                104.943(4)
_cell_formula_units_Z            2
_cell_length_a                   7.7424(3)
_cell_length_b                   10.6628(6)
_cell_length_c                   12.8135(4)
_cell_measurement_reflns_used    4248
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.2127
_cell_measurement_theta_min      2.9463
_cell_volume                     932.69(8)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'multiwire proportional'
_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  0.0325
_diffrn_reflns_av_sigmaI/netI    0.0517
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6057
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    2.355
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96618
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2009)'
_exptl_crystal_density_diffrn    1.888
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             522
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.740
_refine_diff_density_min         -0.677
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         3282
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0339
_refine_ls_R_factor_gt           0.0299
_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)+(0.0165P)²+1.0820P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0624
_refine_ls_wR_factor_ref         0.0646
_reflns_number_gt                3027
_reflns_number_total             3282
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40236c.txt
_cod_data_source_block           1
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        932.69(7)
_cod_database_code               7209907
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 0.18288(3) 0.05786(2) 0.659058(17) 0.01839(9) Uani 1 1 d . . 2
O1 O 0.2678(4) 0.3030(3) 0.6399(2) 0.0335(8) Uani 1 1 d . . 2
O2 O 0.1004(4) 0.1228(3) 0.4859(2) 0.0248(7) Uani 1 1 d . . 2
O3 O 0.0311(4) 0.0646(3) 0.2486(2) 0.0288(7) Uani 1 1 d . . 2
O4 O 0.3287(5) 0.1049(4) 0.2689(3) 0.0506(10) Uani 1 1 d . . 2
O5 O 0.3369(4) 0.2161(3) -0.1452(2) 0.0343(8) Uani 1 1 d . . 2
O6 O 0.2755(4) -0.1026(3) 0.4771(2) 0.0265(7) Uani 1 1 d . A 2
O7 O 0.5162(4) 0.1278(3) 0.6364(2) 0.0311(7) Uani 1 1 d . . 2
O1W O -0.0460(4) 0.2011(4) 0.7264(3) 0.0423(9) Uani 1 1 d . B 2
H1WA H -0.0889 0.1946 0.7733 0.051 Uiso 1 1 d R B 2
H1WB H -0.1120 0.1857 0.6780 0.063 Uiso 1 1 d R B 2
O2W O 0.3211(4) -0.1028(3) 0.7190(2) 0.0388(8) Uani 1 1 d . C 2
H2WA H 0.2609 -0.1505 0.7380 0.047 Uiso 1 1 d R C 2
H2WB H 0.4090 -0.0619 0.7536 0.058 Uiso 1 1 d R C 2
O3W O 0.7068(6) 0.1727(5) 0.8812(3) 0.0837(15) Uani 1 1 d . D 2
H3WA H 0.6980 0.1009 0.8425 0.125 Uiso 1 1 d R D 2
H3WB H 0.6194 0.1835 0.8754 0.125 Uiso 1 1 d R D 2
C1 C 0.1923(5) 0.2538(4) 0.5382(3) 0.0211(9) Uani 1 1 d . . 2
C2 C 0.1928(6) 0.1434(4) 0.2871(3) 0.0214(9) Uani 1 1 d . . 2
C3 C 0.2778(7) 0.5397(5) 0.3716(4) 0.0393(12) Uani 1 1 d . . 2
H3 H 0.2986 0.6027 0.3363 0.047 Uiso 1 1 calc R . 2
C4 C 0.2705(8) 0.5874(5) 0.4869(4) 0.0435(14) Uani 1 1 d . . 2
H4 H 0.2835 0.6829 0.5293 0.052 Uiso 1 1 calc R . 2
C5 C 0.2440(7) 0.4945(5) 0.5392(3) 0.0352(12) Uani 1 1 d . . 2
H5 H 0.2449 0.5285 0.6177 0.042 Uiso 1 1 calc R . 2
C6 C 0.2160(5) 0.3502(4) 0.4766(3) 0.0219(9) Uani 1 1 d . . 2
C7 C 0.2180(5) 0.2986(4) 0.3582(3) 0.0197(9) Uani 1 1 d . . 2
C8 C 0.2540(6) 0.3969(5) 0.3092(3) 0.0251(10) Uani 1 1 d . . 2
C9 C 0.4514(6) 0.3677(5) 0.0487(3) 0.0321(11) Uani 1 1 d . . 2
H9 H 0.5596 0.4103 0.0307 0.039 Uiso 1 1 calc R . 2
C10 C 0.4274(6) 0.4099(5) 0.1595(3) 0.0311(11) Uani 1 1 d . . 2
H10 H 0.5203 0.4807 0.2163 0.037 Uiso 1 1 calc R . 2
C11 C 0.1344(6) 0.2486(5) 0.1057(3) 0.0314(11) Uani 1 1 d . . 2
H11 H 0.0267 0.2092 0.1260 0.038 Uiso 1 1 calc R . 2
C12 C 0.1516(6) 0.2033(5) -0.0053(3) 0.0334(11) Uani 1 1 d . . 2
H12 H 0.0553 0.1338 -0.0603 0.040 Uiso 1 1 calc R . 2
C13 C 0.3131(6) 0.2593(5) -0.0400(3) 0.0264(10) Uani 1 1 d . . 2
C14 C 0.4302(6) -0.0671(4) 0.4534(3) 0.0234(9) Uani 1 1 d . . 2
N1 N 0.2717(5) 0.3514(4) 0.1894(3) 0.0263(8) Uani 1 1 d . . 2
O5W' O 0.2862(16) 0.805(2) 0.8881(15) 0.139(9) Uani 0.66(2) 1 d PG E 2
H5WC H 0.2508 0.8106 0.9509 0.209 Uiso 0.66(2) 1 d PR E 2
H5WD H 0.3767 0.7739 0.8726 0.209 Uiso 0.66(2) 1 d PR E 2
O5W O 0.320(2) 0.927(2) 0.9543(15) 0.072(5) Uani 0.34(2) 1 d PU E 1
H5WA H 0.4305 0.9731 0.9839 0.108 Uiso 0.34(2) 1 d PR E 1
H5WB H 0.2956 0.9686 1.0165 0.108 Uiso 0.34(2) 1 d PR E 1
O4W O 0.9024(15) 0.4882(10) 0.1532(14) 0.147(8) Uani 0.65(3) 1 d PU F 1
H4WA H 0.9379 0.5657 0.1827 0.220 Uiso 0.35(3) 1 d PR F 1
H4WB H 0.9807 0.4676 0.1875 0.220 Uiso 0.35(3) 1 d PR F 1
O4W' O 1.012(8) 0.522(4) 0.062(3) 0.33(3) Uani 0.35(3) 1 d P . 2
H4WC H 1.1116 0.5740 0.0564 0.495 Uiso 0.65(3) 1 d PR F 2
H4WD H 0.9501 0.5790 0.0692 0.495 Uiso 0.65(3) 1 d PR F 2
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'
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'
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
O5 La1 O3 84.85(9) 1_556 2_556
O5 La1 O2W 77.90(11) 1_556 .
O3 La1 O2W 70.13(10) 2_556 .
O5 La1 O7 77.08(9) 1_556 .
O3 La1 O7 143.26(10) 2_556 .
O2W La1 O7 74.91(10) . .
O5 La1 O2 151.51(9) 1_556 2_556
O3 La1 O2 68.78(8) 2_556 2_556
O2W La1 O2 101.87(10) . 2_556
O7 La1 O2 130.84(8) . 2_556
O5 La1 O6 135.37(10) 1_556 .
O3 La1 O6 116.42(9) 2_556 .
O2W La1 O6 74.25(9) . .
O7 La1 O6 62.46(8) . .
O2 La1 O6 69.42(9) 2_556 .
O5 La1 O1W 79.91(10) 1_556 .
O3 La1 O1W 72.35(11) 2_556 .
O2W La1 O1W 137.66(10) . .
O7 La1 O1W 133.45(10) . .
O2 La1 O1W 81.89(10) 2_556 .
O6 La1 O1W 142.16(9) . .
O5 La1 O1 80.23(10) 1_556 .
O3 La1 O1 137.57(10) 2_556 .
O2W La1 O1 142.32(10) . .
O7 La1 O1 70.51(10) . .
O2 La1 O1 111.81(9) 2_556 .
O6 La1 O1 101.75(9) . .
O1W La1 O1 66.04(11) . .
O5 La1 O2 129.14(10) 1_556 .
O3 La1 O2 127.03(9) 2_556 .
O2W La1 O2 144.66(9) . .
O7 La1 O2 88.54(9) . .
O2 La1 O2 65.80(10) 2_556 .
O6 La1 O2 70.41(9) . .
O1W La1 O2 75.63(9) . .
O1 La1 O2 49.15(8) . .
O5 La1 C1 104.45(11) 1_556 .
O3 La1 C1 138.56(11) 2_556 .
O2W La1 C1 151.03(10) . .
O7 La1 C1 77.52(11) . .
O2 La1 C1 89.47(10) 2_556 .
O6 La1 C1 85.29(10) . .
O1W La1 C1 69.86(10) . .
O1 La1 C1 24.24(9) . .
O2 La1 C1 24.94(9) . .
C1 O1 La1 95.7(2) . .
C1 O2 La1 146.0(3) . 2_556
C1 O2 La1 94.0(2) . .
La1 O2 La1 114.20(10) 2_556 .
C2 O3 La1 129.2(2) . 2_556
C13 O5 La1 142.8(3) . 1_554
C14 O6 La1 121.3(2) . .
C14 O7 La1 122.2(3) 2_656 .
La1 O1W H1WA 116.9 . .
La1 O1W H1WB 109.3 . .
H1WA O1W H1WB 111.3 . .
La1 O2W H2WA 115.9 . .
La1 O2W H2WB 109.3 . .
H2WA O2W H2WB 117.9 . .
H3WA O3W H3WB 107.4 . .
O1 C1 O2 121.0(4) . .
O1 C1 C6 118.8(4) . .
O2 C1 C6 120.2(3) . .
O1 C1 La1 60.1(2) . .
O2 C1 La1 61.1(2) . .
C6 C1 La1 174.2(3) . .
O4 C2 O3 125.5(4) . .
O4 C2 C7 118.2(4) . .
O3 C2 C7 116.2(4) . .
C4 C3 C8 119.1(4) . .
C4 C3 H3 120.4 . .
C8 C3 H3 120.4 . .
C5 C4 C3 120.2(4) . .
C5 C4 H4 119.9 . .
C3 C4 H4 119.9 . .
C4 C5 C6 121.0(4) . .
C4 C5 H5 119.5 . .
C6 C5 H5 119.5 . .
C5 C6 C7 119.7(4) . .
C5 C6 C1 118.9(3) . .
C7 C6 C1 121.4(4) . .
C8 C7 C6 117.7(4) . .
C8 C7 C2 120.6(3) . .
C6 C7 C2 121.6(4) . .
C3 C8 C7 122.2(4) . .
C3 C8 N1 117.7(4) . .
C7 C8 N1 120.1(4) . .
C10 C9 C13 120.6(4) . .
C10 C9 H9 119.7 . .
C13 C9 H9 119.7 . .
N1 C10 C9 121.6(4) . .
N1 C10 H10 119.2 . .
C9 C10 H10 119.2 . .
C12 C11 N1 121.5(4) . .
C12 C11 H11 119.3 . .
N1 C11 H11 119.3 . .
C11 C12 C13 121.2(4) . .
C11 C12 H12 119.4 . .
C13 C12 H12 119.4 . .
O5 C13 C12 123.2(4) . .
O5 C13 C9 120.9(4) . .
C12 C13 C9 115.9(3) . .
O7 C14 O6 127.0(4) 2_656 .
O7 C14 C14 116.8(5) 2_656 2_656
O6 C14 C14 116.3(4) . 2_656
C10 N1 C11 119.1(3) . .
C10 N1 C8 119.8(3) . .
C11 N1 C8 121.1(3) . .
H5WC O5W' H5WD 117.6 . .
H5WC O5W H5WA 121.9 . .
H5WC O5W H5WB 94.5 . .
H5WA O5W H5WB 86.8 . .
H4WA O4W H4WB 98.0 . .
O4W' O4W' H4WC 80.0 2_765 .
O4W' O4W' H4WD 91.4 2_765 .
H4WC O4W' H4WD 97.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O5 2.450(3) 1_556
La1 O3 2.473(3) 2_556
La1 O2W 2.554(3) .
La1 O7 2.560(3) .
La1 O2 2.579(3) 2_556
La1 O6 2.584(3) .
La1 O1W 2.605(3) .
La1 O1 2.634(3) .
La1 O2 2.654(3) .
La1 C1 3.025(4) .
O1 C1 1.248(4) .
O2 C1 1.279(5) .
O2 La1 2.579(3) 2_556
O3 C2 1.263(5) .
O3 La1 2.473(3) 2_556
O4 C2 1.227(5) .
O5 C13 1.290(5) .
O5 La1 2.450(3) 1_554
O6 C14 1.250(5) .
O7 C14 1.242(5) 2_656
O1W H1WA 0.7196 .
O1W H1WB 0.7200 .
O2W H2WA 0.7200 .
O2W H2WB 0.7198 .
O3W H3WA 0.7201 .
O3W H3WB 0.7200 .
C1 C6 1.497(6) .
C2 C7 1.511(6) .
C3 C4 1.378(6) .
C3 C8 1.383(6) .
C3 H3 0.9300 .
C4 C5 1.373(7) .
C4 H4 0.9300 .
C5 C6 1.391(6) .
C5 H5 0.9300 .
C6 C7 1.408(5) .
C7 C8 1.390(6) .
C8 N1 1.451(5) .
C9 C10 1.358(5) .
C9 C13 1.418(6) .
C9 H9 0.9300 .
C10 N1 1.353(5) .
C10 H10 0.9300 .
C11 C12 1.346(6) .
C11 N1 1.367(5) .
C11 H11 0.9300 .
C12 C13 1.412(6) .
C12 H12 0.9300 .
C14 O7 1.242(5) 2_656
C14 C14 1.554(8) 2_656
O5W' H5WC 0.8493 .
O5W' H5WD 0.8500 .
O5W H5WC 1.2052 .
O5W H5WA 0.8501 .
O5W H5WB 0.8121 .
O4W H4WA 0.7327 .
O4W H4WB 0.8500 .
O4W' O4W' 1.46(7) 2_765
O4W' H4WC 0.8500 .
O4W' H4WD 0.8499 .
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
O5 La1 O1 C1 -177.2(3) 1_556 .
O3 La1 O1 C1 -106.1(3) 2_556 .
O2W La1 O1 C1 127.6(2) . .
O7 La1 O1 C1 103.2(3) . .
O2 La1 O1 C1 -24.1(3) 2_556 .
O6 La1 O1 C1 48.2(3) . .
O1W La1 O1 C1 -94.0(3) . .
O2 La1 O1 C1 -2.5(2) . .
O5 La1 O2 C1 9.2(3) 1_556 .
O3 La1 O2 C1 127.2(2) 2_556 .
O2W La1 O2 C1 -123.7(2) . .
O7 La1 O2 C1 -62.8(2) . .
O2 La1 O2 C1 160.5(3) 2_556 .
O6 La1 O2 C1 -124.0(2) . .
O1W La1 O2 C1 73.0(2) . .
O1 La1 O2 C1 2.5(2) . .
O5 La1 O2 La1 -151.24(11) 1_556 2_556
O3 La1 O2 La1 -33.27(16) 2_556 2_556
O2W La1 O2 La1 75.87(19) . 2_556
O7 La1 O2 La1 136.77(12) . 2_556
O2 La1 O2 La1 0.0 2_556 2_556
O6 La1 O2 La1 75.58(11) . 2_556
O1W La1 O2 La1 -87.45(12) . 2_556
O1 La1 O2 La1 -158.01(17) . 2_556
C1 La1 O2 La1 -160.5(3) . 2_556
O5 La1 O6 C14 -35.8(4) 1_556 .
O3 La1 O6 C14 -146.9(3) 2_556 .
O2W La1 O6 C14 -89.2(3) . .
O7 La1 O6 C14 -8.3(3) . .
O2 La1 O6 C14 161.3(3) 2_556 .
O1W La1 O6 C14 118.0(3) . .
O1 La1 O6 C14 52.2(3) . .
O2 La1 O6 C14 90.6(3) . .
C1 La1 O6 C14 70.1(3) . .
O5 La1 O7 C14 168.9(3) 1_556 2_656
O3 La1 O7 C14 106.4(3) 2_556 2_656
O2W La1 O7 C14 88.2(3) . 2_656
O2 La1 O7 C14 -4.6(4) 2_556 2_656
O6 La1 O7 C14 8.4(3) . 2_656
O1W La1 O7 C14 -128.8(3) . 2_656
O1 La1 O7 C14 -107.0(3) . 2_656
O2 La1 O7 C14 -60.2(3) . 2_656
C1 La1 O7 C14 -82.8(3) . 2_656
La1 O1 C1 O2 4.6(4) . .
La1 O1 C1 C6 -173.5(3) . .
La1 O2 C1 O1 142.4(3) 2_556 .
La1 O2 C1 O1 -4.6(4) . .
La1 O2 C1 C6 -39.6(6) 2_556 .
La1 O2 C1 C6 173.5(3) . .
La1 O2 C1 La1 146.9(4) 2_556 .
O5 La1 C1 O1 2.9(3) 1_556 .
O3 La1 C1 O1 101.6(3) 2_556 .
O2W La1 C1 O1 -88.2(3) . .
O7 La1 C1 O1 -70.1(2) . .
O2 La1 C1 O1 157.7(2) 2_556 .
O6 La1 C1 O1 -132.9(3) . .
O1W La1 C1 O1 76.2(3) . .
O2 La1 C1 O1 175.5(4) . .
O5 La1 C1 O2 -172.6(2) 1_556 .
O3 La1 C1 O2 -73.9(3) 2_556 .
O2W La1 C1 O2 96.3(3) . .
O7 La1 C1 O2 114.5(2) . .
O2 La1 C1 O2 -17.8(3) 2_556 .
O6 La1 C1 O2 51.6(2) . .
O1W La1 C1 O2 -99.3(2) . .
O1 La1 C1 O2 -175.5(4) . .
La1 O3 C2 O4 96.3(5) 2_556 .
La1 O3 C2 C7 -85.9(4) 2_556 .
C8 C3 C4 C5 1.5(8) . .
C3 C4 C5 C6 -3.0(8) . .
C4 C5 C6 C7 1.2(7) . .
C4 C5 C6 C1 178.6(4) . .
O1 C1 C6 C5 -29.1(6) . .
O2 C1 C6 C5 152.8(4) . .
O1 C1 C6 C7 148.2(4) . .
O2 C1 C6 C7 -29.9(6) . .
C5 C6 C7 C8 1.9(6) . .
C1 C6 C7 C8 -175.4(4) . .
C5 C6 C7 C2 178.5(4) . .
C1 C6 C7 C2 1.2(6) . .
O4 C2 C7 C8 81.1(5) . .
O3 C2 C7 C8 -96.9(5) . .
O4 C2 C7 C6 -95.4(5) . .
O3 C2 C7 C6 86.7(5) . .
C4 C3 C8 C7 1.7(8) . .
C4 C3 C8 N1 -176.9(5) . .
C6 C7 C8 C3 -3.4(7) . .
C2 C7 C8 C3 -180.0(4) . .
C6 C7 C8 N1 175.2(4) . .
C2 C7 C8 N1 -1.4(6) . .
C13 C9 C10 N1 -0.4(8) . .
N1 C11 C12 C13 0.5(8) . .
La1 O5 C13 C12 4.9(8) 1_554 .
La1 O5 C13 C9 -175.3(3) 1_554 .
C11 C12 C13 O5 178.1(5) . .
C11 C12 C13 C9 -1.8(7) . .
C10 C9 C13 O5 -178.2(5) . .
C10 C9 C13 C12 1.7(7) . .
La1 O6 C14 O7 -172.1(3) . 2_656
La1 O6 C14 C14 7.9(6) . 2_656
C9 C10 N1 C11 -0.9(7) . .
C9 C10 N1 C8 178.2(4) . .
C12 C11 N1 C10 0.9(7) . .
C12 C11 N1 C8 -178.3(4) . .
C3 C8 N1 C10 57.2(6) . .
C7 C8 N1 C10 -121.4(5) . .
C3 C8 N1 C11 -123.6(5) . .
C7 C8 N1 C11 57.7(6) . .
