#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:20:07 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229066 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/02/7230226.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_7230226
loop_
_publ_author_name
'An, Yan-Yan'
'Lu, Li-Ping'
'Feng, Si-Si'
'Zhu, Miao-Li'
_publ_section_title
;
 Efficient pure white light emission based on a three-component
 La:Eu,Tb-doped luminescent lanthanide metal--organic framework
;
_journal_issue                   14
_journal_name_full               CrystEngComm
_journal_page_first              2043
_journal_paper_doi               10.1039/C8CE00008E
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety
'[La2(C16H9O7)2(C3H7ON)2(H2O)0.7(CHOOH)1.3]??4.7H2O'
_chemical_formula_sum            'C39.3 H45.4 La2 N2 O24'
_chemical_formula_weight         1207.59
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-02-11 deposited with the CCDC.
2018-03-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.636(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   28.529(3)
_cell_length_b                   14.5251(15)
_cell_length_c                   13.6581(14)
_cell_measurement_reflns_used    9392
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.42
_cell_measurement_theta_min      2.59
_cell_volume                     5562.5(10)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0477
_diffrn_reflns_av_unetI/netI     0.0310
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            55510
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.421
_diffrn_reflns_theta_min         2.591
_exptl_absorpt_coefficient_mu    1.589
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_description       block
_exptl_crystal_F_000             2405
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.250
_refine_diff_density_max         2.431
_refine_diff_density_min         -0.657
_refine_diff_density_rms         0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     305
_refine_ls_number_reflns         6988
_refine_ls_number_restraints     50
_refine_ls_restrained_S_all      1.142
_refine_ls_R_factor_all          0.0611
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0737P)²+37.2319P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1326
_refine_ls_wR_factor_ref         0.1422
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5657
_reflns_number_total             6988
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce00008e2.cif
_cod_data_source_block           1R-La-RT2
_cod_depositor_comments
'Adding full bibliography for 7230226--7230238.cif.'
_cod_original_cell_volume        5562.6(10)
_cod_original_formula_sum        'C39.30 H45.40 La2 N2 O24'
_cod_database_code               7230226
_shelx_shelxl_version_number     2016/6
_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   0.683
_shelx_estimated_absorpt_t_max   0.692
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
La1 La 0.17935(2) 0.28823(2) 0.94776(2) 0.02058(10) Uani 1 1 d . . . . .
O1 O 0.23552(13) 0.3389(3) 0.8384(3) 0.0418(10) Uani 1 1 d . . . . .
O2 O 0.30762(14) 0.2773(3) 0.8805(3) 0.0350(8) Uani 1 1 d . . . . .
O3 O 0.20382(12) 0.5699(3) 0.5612(3) 0.0384(9) Uani 1 1 d . . . . .
O4 O 0.26543(12) 0.6551(2) 0.5485(3) 0.0281(7) Uani 1 1 d . . . . .
O5 O 0.42042(15) 0.3555(3) 0.6397(4) 0.0605(14) Uani 1 1 d . . . . .
O6 O 0.61081(13) 0.3258(3) 0.4629(3) 0.0419(9) Uani 1 1 d . . . . .
O7 O 0.59770(14) 0.1803(3) 0.4920(4) 0.0462(10) Uani 1 1 d . . . . .
C1 C 0.29571(16) 0.3923(3) 0.7567(4) 0.0267(10) Uani 1 1 d . . . . .
C2 C 0.26423(16) 0.4531(3) 0.6997(4) 0.0270(10) Uani 1 1 d . . . . .
H2 H 0.232155 0.452664 0.704627 0.032 Uiso 1 1 calc R U . . .
C3 C 0.28047(16) 0.5145(3) 0.6352(3) 0.0244(9) Uani 1 1 d . . . . .
C4 C 0.32813(17) 0.5115(3) 0.6256(4) 0.0268(10) Uani 1 1 d . . . . .
H4 H 0.339040 0.551707 0.581801 0.032 Uiso 1 1 calc R U . . .
C5 C 0.35956(17) 0.4501(3) 0.6800(4) 0.0283(10) Uani 1 1 d . . . . .
C6 C 0.34334(17) 0.3908(3) 0.7464(4) 0.0287(10) Uani 1 1 d . . . . .
H6 H 0.364412 0.349929 0.784156 0.034 Uiso 1 1 calc R U . . .
C7 C 0.27831(17) 0.3307(4) 0.8316(4) 0.0284(10) Uani 1 1 d . . . . .
C8 C 0.24787(16) 0.5834(3) 0.5786(3) 0.0246(9) Uani 1 1 d . . . . .
C9 C 0.41043(18) 0.4477(4) 0.6661(5) 0.0367(12) Uani 1 1 d . . . . .
H9A H 0.415091 0.489936 0.613691 0.044 Uiso 1 1 calc R U . . .
H9B H 0.431529 0.465529 0.727174 0.044 Uiso 1 1 calc R U . . .
C10 C 0.4620(2) 0.3393(4) 0.6064(5) 0.0458(15) Uani 1 1 d . . . . .
C11 C 0.4695(3) 0.2493(5) 0.5849(7) 0.069(2) Uani 1 1 d . U . . .
H11 H 0.447508 0.204564 0.594442 0.082 Uiso 1 1 calc R U . . .
C12 C 0.5100(3) 0.2249(5) 0.5488(7) 0.060(2) Uani 1 1 d . U . . .
H12 H 0.514999 0.163554 0.534192 0.072 Uiso 1 1 calc R U . . .
C13 C 0.54321(19) 0.2907(4) 0.5340(4) 0.0352(12) Uani 1 1 d . . . . .
C14 C 0.53503(18) 0.3802(4) 0.5577(4) 0.0371(12) Uani 1 1 d . . . . .
H14 H 0.556864 0.425320 0.548084 0.045 Uiso 1 1 calc R U . . .
C15 C 0.49497(19) 0.4052(4) 0.5956(5) 0.0404(13) Uani 1 1 d . . . . .
H15 H 0.490569 0.465944 0.613357 0.048 Uiso 1 1 calc R U . . .
C16 C 0.58653(18) 0.2650(4) 0.4935(4) 0.0340(11) Uani 1 1 d . . . . .
O8 O 0.15176(18) 0.2217(3) 0.7743(3) 0.0550(12) Uani 1 1 d . . . . .
C17 C 0.1627(4) 0.2463(8) 0.6962(6) 0.082(3) Uani 1 1 d . U . . .
H17 H 0.170694 0.308018 0.691233 0.099 Uiso 1 1 calc R U . . .
N1 N 0.1643(3) 0.1939(7) 0.6184(5) 0.088(2) Uani 1 1 d . U . . .
C18 C 0.1797(6) 0.2301(13) 0.5294(10) 0.153(6) Uani 1 1 d . U . . .
H18A H 0.182761 0.295775 0.534441 0.229 Uiso 1 1 calc R U . . .
H18B H 0.156494 0.214499 0.471443 0.229 Uiso 1 1 calc R U . . .
H18C H 0.209918 0.203542 0.523816 0.229 Uiso 1 1 calc R U . . .
C19 C 0.1486(6) 0.1031(9) 0.6153(9) 0.140(5) Uani 1 1 d . U . . .
H19A H 0.173141 0.063346 0.599964 0.209 Uiso 1 1 calc R U . . .
H19B H 0.120483 0.096846 0.564880 0.209 Uiso 1 1 calc R U . . .
H19C H 0.141327 0.086409 0.678841 0.209 Uiso 1 1 calc R U . . .
O9 O 0.1441(2) 0.4236(4) 0.8506(4) 0.0729(16) Uani 0.65 1 d D . P A 1
C20 C 0.1245(5) 0.4909(7) 0.8091(11) 0.095(5) Uani 0.65 1 d D U P A 1
H20 H 0.091751 0.481513 0.791431 0.114 Uiso 0.65 1 calc R U P A 1
O10 O 0.1354(4) 0.5680(5) 0.7837(7) 0.085(3) Uani 0.65 1 d D U P A 1
O9A O 0.1441(2) 0.4236(4) 0.8506(4) 0.0729(16) Uani 0.35 1 d . . P A 2
O11 O 0.1283(9) 0.6446(18) 0.7507(19) 0.122(8) Uiso 0.35 1 d . . P B 2
O12 O 0.5443(4) 0.0075(7) 0.4541(8) 0.147(3) Uiso 1 1 d . . . . .
O13 O 0.500000 0.2498(13) 0.250000 0.170(6) Uiso 1 2 d S . P . .
O14 O 0.1332(6) 0.4282(12) 0.5662(12) 0.115(5) Uiso 0.5 1 d . . P . .
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
O9 La1 O4 145.10(15) . 4_546
O9 La1 O2 141.36(16) . 7_557
O4 La1 O2 72.55(12) 4_546 7_557
O9A La1 O1 71.81(16) . .
O9 La1 O1 71.81(16) . .
O4 La1 O1 76.56(12) 4_546 .
O2 La1 O1 132.43(12) 7_557 .
O9A La1 O8 77.14(19) . .
O9 La1 O8 77.14(19) . .
O4 La1 O8 79.06(14) 4_546 .
O2 La1 O8 134.20(15) 7_557 .
O1 La1 O8 71.17(15) . .
O9 La1 O7 71.74(16) . 8_456
O4 La1 O7 137.38(12) 4_546 8_456
O2 La1 O7 80.20(14) 7_557 8_456
O1 La1 O7 143.49(14) . 8_456
O8 La1 O7 98.60(16) . 8_456
O9 La1 O3 74.20(19) . 6_566
O4 La1 O3 120.34(11) 4_546 6_566
O2 La1 O3 76.40(13) 7_557 6_566
O1 La1 O3 89.50(14) . 6_566
O8 La1 O3 149.32(15) . 6_566
O7 La1 O3 82.71(13) 8_456 6_566
O9 La1 O6 108.10(18) . 8_456
O4 La1 O6 89.19(12) 4_546 8_456
O2 La1 O6 70.49(14) 7_557 8_456
O1 La1 O6 144.21(14) . 8_456
O8 La1 O6 73.98(14) . 8_456
O7 La1 O6 50.43(13) 8_456 8_456
O3 La1 O6 125.59(12) 6_566 8_456
O9 La1 O4 105.73(17) . 6_566
O4 La1 O4 73.42(11) 4_546 6_566
O2 La1 O4 71.04(12) 7_557 6_566
O1 La1 O4 65.95(12) . 6_566
O8 La1 O4 133.08(14) . 6_566
O7 La1 O4 127.29(13) 8_456 6_566
O3 La1 O4 48.51(10) 6_566 6_566
O6 La1 O4 141.00(13) 8_456 6_566
O9A La1 C16 91.68(18) . 8_456
O9 La1 C16 91.68(18) . 8_456
O4 La1 C16 112.57(14) 4_546 8_456
O2 La1 C16 71.53(14) 7_557 8_456
O1 La1 C16 155.47(14) . 8_456
O8 La1 C16 87.82(16) . 8_456
O7 La1 C16 25.60(15) 8_456 8_456
O3 La1 C16 103.65(14) 6_566 8_456
O6 La1 C16 25.02(14) 8_456 8_456
O4 La1 C16 137.76(13) 6_566 8_456
O9 La1 C8 88.95(18) . 6_566
O4 La1 C8 97.39(12) 4_546 6_566
O2 La1 C8 73.31(13) 7_557 6_566
O1 La1 C8 75.87(13) . 6_566
O8 La1 C8 146.78(13) . 6_566
O7 La1 C8 105.50(13) 8_456 6_566
O3 La1 C8 24.10(11) 6_566 6_566
O6 La1 C8 139.23(12) 8_456 6_566
O4 La1 C8 24.47(11) 6_566 6_566
C16 La1 C8 123.05(14) 8_456 6_566
C7 O1 La1 139.7(3) . .
C7 O2 La1 135.5(3) . 7_557
C8 O3 La1 98.0(3) . 6_565
C8 O4 La1 157.8(3) . 4_556
C8 O4 La1 92.2(3) . 6_565
La1 O4 La1 106.57(11) 4_556 6_565
C10 O5 C9 118.1(4) . .
C16 O6 La1 92.7(3) . 8
C16 O7 La1 94.2(3) . 8
C2 C1 C6 119.7(4) . .
C2 C1 C7 119.8(4) . .
C6 C1 C7 120.5(4) . .
C1 C2 C3 120.3(4) . .
C1 C2 H2 119.8 . .
C3 C2 H2 119.8 . .
C4 C3 C2 119.0(4) . .
C4 C3 C8 120.2(4) . .
C2 C3 C8 120.8(4) . .
C5 C4 C3 121.3(4) . .
C5 C4 H4 119.3 . .
C3 C4 H4 119.3 . .
C4 C5 C6 119.3(4) . .
C4 C5 C9 119.7(4) . .
C6 C5 C9 121.0(4) . .
C5 C6 C1 120.3(4) . .
C5 C6 H6 119.9 . .
C1 C6 H6 119.9 . .
O2 C7 O1 126.2(4) . .
O2 C7 C1 117.5(4) . .
O1 C7 C1 116.3(4) . .
O3 C8 O4 121.0(4) . .
O3 C8 C3 120.3(4) . .
O4 C8 C3 118.7(4) . .
O3 C8 La1 57.9(2) . 6_565
O4 C8 La1 63.3(2) . 6_565
C3 C8 La1 174.8(3) . 6_565
O5 C9 C5 107.3(4) . .
O5 C9 H9A 110.3 . .
C5 C9 H9A 110.3 . .
O5 C9 H9B 110.3 . .
C5 C9 H9B 110.3 . .
H9A C9 H9B 108.5 . .
C11 C10 O5 114.7(5) . .
C11 C10 C15 120.4(5) . .
O5 C10 C15 124.9(5) . .
C10 C11 C12 119.9(6) . .
C10 C11 H11 120.1 . .
C12 C11 H11 120.1 . .
C11 C12 C13 120.9(6) . .
C11 C12 H12 119.6 . .
C13 C12 H12 119.6 . .
C14 C13 C12 118.0(5) . .
C14 C13 C16 121.0(5) . .
C12 C13 C16 121.1(5) . .
C13 C14 C15 121.6(5) . .
C13 C14 H14 119.2 . .
C15 C14 H14 119.2 . .
C10 C15 C14 119.2(5) . .
C10 C15 H15 120.4 . .
C14 C15 H15 120.4 . .
O6 C16 O7 121.8(5) . .
O6 C16 C13 119.9(5) . .
O7 C16 C13 118.4(5) . .
O6 C16 La1 62.3(3) . 8
O7 C16 La1 60.2(2) . 8
C13 C16 La1 170.7(4) . 8
C17 O8 La1 128.2(5) . .
O8 C17 N1 126.2(10) . .
O8 C17 H17 116.9 . .
N1 C17 H17 116.9 . .
C17 N1 C19 121.0(9) . .
C17 N1 C18 121.6(11) . .
C19 N1 C18 117.3(11) . .
N1 C18 H18A 109.5 . .
N1 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
N1 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N1 C19 H19A 109.5 . .
N1 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
N1 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C20 O9 La1 174.5(8) . .
O9 C20 O10 138.3(14) . .
O9 C20 H20 110.9 . .
O10 C20 H20 110.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O9A 2.479(4) .
La1 O9 2.479(4) .
La1 O4 2.489(3) 4_546
La1 O2 2.495(4) 7_557
La1 O1 2.495(3) .
La1 O8 2.545(4) .
La1 O7 2.554(4) 8_456
La1 O3 2.596(4) 6_566
La1 O6 2.600(4) 8_456
La1 O4 2.712(3) 6_566
La1 C16 2.934(5) 8_456
La1 C8 3.033(5) 6_566
O1 C7 1.247(6) .
O2 C7 1.242(6) .
O3 C8 1.251(6) .
O4 C8 1.257(5) .
O5 C10 1.366(6) .
O5 C9 1.429(7) .
O6 C16 1.242(7) .
O7 C16 1.271(7) .
C1 C2 1.391(6) .
C1 C6 1.392(6) .
C1 C7 1.510(6) .
C2 C3 1.392(6) .
C2 H2 0.9300 .
C3 C4 1.390(6) .
C3 C8 1.483(6) .
C4 C5 1.380(7) .
C4 H4 0.9300 .
C5 C6 1.392(6) .
C5 C9 1.499(6) .
C6 H6 0.9300 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.365(10) .
C10 C15 1.370(8) .
C11 C12 1.383(9) .
C11 H11 0.9300 .
C12 C13 1.387(8) .
C12 H12 0.9300 .
C13 C14 1.370(7) .
C13 C16 1.492(7) .
C14 C15 1.387(7) .
C14 H14 0.9300 .
C15 H15 0.9300 .
O8 C17 1.219(10) .
C17 N1 1.315(12) .
C17 H17 0.9300 .
N1 C19 1.392(15) .
N1 C18 1.465(14) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
O9 C20 1.214(8) .
C20 O10 1.229(9) .
C20 H20 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
C6 C1 C2 C3 -2.4(8) . .
C7 C1 C2 C3 175.7(5) . .
C1 C2 C3 C4 2.6(7) . .
C1 C2 C3 C8 -176.2(5) . .
C2 C3 C4 C5 -1.1(8) . .
C8 C3 C4 C5 177.8(5) . .
C3 C4 C5 C6 -0.8(8) . .
C3 C4 C5 C9 178.7(5) . .
C4 C5 C6 C1 1.1(8) . .
C9 C5 C6 C1 -178.4(5) . .
C2 C1 C6 C5 0.5(8) . .
C7 C1 C6 C5 -177.6(5) . .
La1 O2 C7 O1 -32.5(9) 7_557 .
La1 O2 C7 C1 147.3(4) 7_557 .
La1 O1 C7 O2 10.3(10) . .
La1 O1 C7 C1 -169.5(4) . .
C2 C1 C7 O2 179.7(5) . .
C6 C1 C7 O2 -2.3(8) . .
C2 C1 C7 O1 -0.5(7) . .
C6 C1 C7 O1 177.5(5) . .
La1 O3 C8 O4 5.5(5) 6_565 .
La1 O3 C8 C3 -174.3(4) 6_565 .
La1 O4 C8 O3 143.1(6) 4_556 .
La1 O4 C8 O3 -5.2(5) 6_565 .
La1 O4 C8 C3 -37.1(10) 4_556 .
La1 O4 C8 C3 174.6(4) 6_565 .
La1 O4 C8 La1 148.3(8) 4_556 6_565
C4 C3 C8 O3 157.5(5) . .
C2 C3 C8 O3 -23.6(7) . .
C4 C3 C8 O4 -22.3(7) . .
C2 C3 C8 O4 156.6(5) . .
C10 O5 C9 C5 168.9(5) . .
C4 C5 C9 O5 -123.9(5) . .
C6 C5 C9 O5 55.6(7) . .
C9 O5 C10 C11 178.6(7) . .
C9 O5 C10 C15 -0.5(10) . .
O5 C10 C11 C12 178.8(8) . .
C15 C10 C11 C12 -2.1(13) . .
C10 C11 C12 C13 0.0(14) . .
C11 C12 C13 C14 0.9(12) . .
C11 C12 C13 C16 -178.9(8) . .
C12 C13 C14 C15 0.2(10) . .
C16 C13 C14 C15 -179.9(6) . .
C11 C10 C15 C14 3.2(11) . .
O5 C10 C15 C14 -177.8(6) . .
C13 C14 C15 C10 -2.3(10) . .
La1 O6 C16 O7 -9.8(6) 8 .
La1 O6 C16 C13 169.6(5) 8 .
La1 O7 C16 O6 10.0(6) 8 .
La1 O7 C16 C13 -169.4(5) 8 .
C14 C13 C16 O6 -13.8(9) . .
C12 C13 C16 O6 166.1(7) . .
C14 C13 C16 O7 165.7(6) . .
C12 C13 C16 O7 -14.4(9) . .
La1 O8 C17 N1 151.3(8) . .
O8 C17 N1 C19 6.2(19) . .
O8 C17 N1 C18 -177.7(12) . .
