#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:20:07 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229066 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/02/7230231.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_7230231
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
'[(Eu0.10La0.44Tb0.46)2(C16H9O7)2(C3H7ON)2(H2O)(CHOOH)]??7H2O'
_chemical_formula_sum            'C39 H50 Eu0.2 La0.88 N2 O26 Tb0.92'
_chemical_formula_weight         1261.65
_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                 101.85(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   28.445(6)
_cell_length_b                   14.543(3)
_cell_length_c                   13.394(3)
_cell_measurement_reflns_used    59274
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.46
_cell_measurement_theta_min      2.78
_cell_volume                     5423(2)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_av_unetI/netI     0.0228
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_number            8758
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         31.237
_diffrn_reflns_theta_min         2.789
_exptl_absorpt_coefficient_mu    2.158
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_description       block
_exptl_crystal_F_000             2514
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.140
_refine_diff_density_max         2.710
_refine_diff_density_min         -2.081
_refine_diff_density_rms         0.204
_refine_ls_extinction_coef       0.0042(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         8758
_refine_ls_number_restraints     56
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0632
_refine_ls_R_factor_gt           0.0579
_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)+(0.1169P)²+26.1517P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1735
_refine_ls_wR_factor_ref         0.1782
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7639
_reflns_number_total             8758
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce00008e2.cif
_cod_data_source_block           12-14R-B-AYY21-Laeutb
_cod_depositor_comments
'Adding full bibliography for 7230226--7230238.cif.'
_cod_original_formula_sum        'C39 H50 Eu0.20 La0.88 N2 O26 Tb0.92'
_cod_database_code               7230231
_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   0.672
_shelx_estimated_absorpt_t_max   0.752
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 0.31987(2) 0.78694(2) 0.05546(2) 0.02633(11) Uani 0.44 1 d . . P . .
Eu1 Eu 0.31987(2) 0.78694(2) 0.05546(2) 0.02633(11) Uani 0.1 1 d . . P . .
Tb1 Tb 0.31987(2) 0.78694(2) 0.05546(2) 0.02633(11) Uani 0.46 1 d . . P . .
O1 O 0.73441(10) 0.3435(2) -0.0458(2) 0.0292(6) Uani 1 1 d . . . . .
O2 O 0.79731(11) 0.4293(2) -0.0525(3) 0.0347(6) Uani 1 1 d . . . . .
O3 O 0.76584(12) 0.6651(3) -0.3348(3) 0.0439(9) Uani 1 1 d . . . . .
O4 O 0.69256(12) 0.7281(2) -0.3814(3) 0.0325(6) Uani 1 1 d . . . . .
O5 O 0.58018(15) 0.6480(3) -0.1334(5) 0.0618(12) Uani 1 1 d . U . . .
O6 O 0.39929(14) 0.8218(3) 0.0092(3) 0.0422(8) Uani 1 1 d . . . . .
O7 O 0.38748(13) 0.6751(2) 0.0417(3) 0.0375(7) Uani 1 1 d . . . . .
C1 C 0.71986(14) 0.4869(3) -0.1321(3) 0.0274(7) Uani 1 1 d . . . . .
C2 C 0.73646(14) 0.5493(3) -0.1960(3) 0.0292(7) Uani 1 1 d . . . . .
H2 H 0.769387 0.549103 -0.200279 0.035 Uiso 1 1 calc R U . . .
C3 C 0.70482(14) 0.6121(3) -0.2541(3) 0.0301(8) Uani 1 1 d . . . . .
C4 C 0.65650(15) 0.6132(3) -0.2455(4) 0.0339(8) Uani 1 1 d . . . . .
H4 H 0.634743 0.654820 -0.285711 0.041 Uiso 1 1 calc R U . . .
C5 C 0.64018(15) 0.5539(3) -0.1786(4) 0.0344(9) Uani 1 1 d . . . . .
C6 C 0.67138(14) 0.4894(3) -0.1236(3) 0.0294(7) Uani 1 1 d . . . . .
H6 H 0.659888 0.446967 -0.080182 0.035 Uiso 1 1 calc R U . . .
C7 C 0.75291(14) 0.4160(3) -0.0738(3) 0.0272(7) Uani 1 1 d . . . . .
C8 C 0.72254(15) 0.6742(3) -0.3297(3) 0.0322(8) Uani 1 1 d . . . . .
C9 C 0.58884(16) 0.5560(4) -0.1652(4) 0.0396(10) Uani 1 1 d . . . . .
H9A H 0.566630 0.540939 -0.230212 0.048 Uiso 1 1 calc R U . . .
H9B H 0.584001 0.510925 -0.112853 0.048 Uiso 1 1 calc R U . . .
C10 C 0.5380(2) 0.6639(4) -0.0995(6) 0.0543(16) Uani 1 1 d . . . . .
C11 C 0.5297(3) 0.7552(5) -0.0789(8) 0.0673(18) Uani 1 1 d . U . . .
H11 H 0.551437 0.801318 -0.091295 0.081 Uiso 1 1 calc R U . . .
C12 C 0.4895(3) 0.7794(4) -0.0400(7) 0.0586(16) Uani 1 1 d . U . . .
H12 H 0.484952 0.841449 -0.021792 0.070 Uiso 1 1 calc R U . . .
C13 C 0.45577(17) 0.7118(3) -0.0279(4) 0.0349(9) Uani 1 1 d . . . . .
C14 C 0.46391(15) 0.6219(3) -0.0540(3) 0.0331(8) Uani 1 1 d . . . . .
H14 H 0.441403 0.575650 -0.045778 0.040 Uiso 1 1 calc R U . . .
C15 C 0.50440(15) 0.5973(3) -0.0922(4) 0.0357(9) Uani 1 1 d . . . . .
H15 H 0.508653 0.535841 -0.112688 0.043 Uiso 1 1 calc R U . . .
C16 C 0.41151(17) 0.7372(3) 0.0100(3) 0.0324(8) Uani 1 1 d . . . . .
O8 O 0.3482(2) 0.7184(3) 0.2271(4) 0.0662(16) Uani 1 1 d . . . . .
C17 C 0.3384(4) 0.7490(8) 0.3074(6) 0.081(2) Uani 1 1 d . U . . .
H17 H 0.333422 0.813359 0.311188 0.097 Uiso 1 1 calc R U . . .
N1 N 0.3345(3) 0.6995(7) 0.3868(5) 0.087(2) Uani 1 1 d . U . . .
C18 C 0.3223(5) 0.7341(11) 0.4769(8) 0.107(4) Uani 1 1 d . U . . .
H18A H 0.325581 0.801149 0.478495 0.160 Uiso 1 1 calc R U . . .
H18B H 0.343826 0.707513 0.536465 0.160 Uiso 1 1 calc R U . . .
H18C H 0.289032 0.717424 0.478073 0.160 Uiso 1 1 calc R U . . .
C19 C 0.3495(6) 0.5957(10) 0.3911(10) 0.120(4) Uani 1 1 d . U . . .
H19A H 0.353623 0.575786 0.323574 0.181 Uiso 1 1 calc R U . . .
H19B H 0.324387 0.558538 0.411979 0.181 Uiso 1 1 calc R U . . .
H19C H 0.379774 0.587720 0.440591 0.181 Uiso 1 1 calc R U . . .
O9 O 0.35815(19) 0.9125(4) 0.1630(4) 0.0691(14) Uani 0.5 1 d D . P A 1
C20 C 0.3531(5) 0.9926(5) 0.1715(8) 0.055(3) Uani 0.5 1 d D U P A 1
H20 H 0.325764 1.014167 0.124058 0.066 Uiso 0.5 1 calc R U P A 1
O10 O 0.3736(4) 1.0569(7) 0.2254(8) 0.077(3) Uani 0.5 1 d D U P A 1
O12 O 0.500000 0.7382(7) 0.250000 0.078(2) Uiso 1 2 d S . P B 1
O9A O 0.35815(19) 0.9125(4) 0.1630(4) 0.0691(14) Uani 0.5 1 d . . P A 2
O11 O 0.3650(8) 1.1340(16) 0.2420(18) 0.146(7) Uiso 0.5 1 d . . P C 2
O13 O 0.500000 0.867(2) 0.250000 0.302(15) Uiso 1 2 d S . P D 2
O14 O 0.4569(5) 0.9910(10) 0.0531(11) 0.180(5) Uiso 1 1 d . . . . .
O15 O 0.8705(8) 0.5611(16) 0.9400(17) 0.282(10) Uiso 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 0.0030 0.0020 '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 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2440 2.4630 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1050 3.6800 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1140 4.1650 '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
O1 La1 O3 77.46(12) 5_665 8_466
O1 La1 O9A 144.74(14) 5_665 .
O3 La1 O9A 71.94(15) 8_466 .
O1 La1 O9 144.74(14) 5_665 .
O3 La1 O9 71.94(15) 8_466 .
O1 La1 O4 73.14(11) 5_665 2_654
O3 La1 O4 133.72(12) 8_466 2_654
O9 La1 O4 141.84(15) . 2_654
O1 La1 O8 79.52(17) 5_665 .
O3 La1 O8 71.44(15) 8_466 .
O9A La1 O8 74.5(2) . .
O9 La1 O8 74.5(2) . .
O4 La1 O8 134.38(15) 2_654 .
O1 La1 O6 137.48(11) 5_665 .
O3 La1 O6 143.25(13) 8_466 .
O9A La1 O6 71.33(15) . .
O9 La1 O6 71.33(15) . .
O4 La1 O6 78.25(13) 2_654 .
O8 La1 O6 99.90(18) . .
O1 La1 O2 121.58(10) 5_665 3_455
O3 La1 O2 89.61(13) 8_466 3_455
O9 La1 O2 75.83(17) . 3_455
O4 La1 O2 76.77(12) 2_654 3_455
O8 La1 O2 148.55(15) . 3_455
O6 La1 O2 80.18(11) . 3_455
O1 La1 O7 88.80(11) 5_665 .
O3 La1 O7 143.45(13) 8_466 .
O9A La1 O7 105.53(16) . .
O9 La1 O7 105.53(16) . .
O4 La1 O7 70.81(12) 2_654 .
O8 La1 O7 72.84(13) . .
O6 La1 O7 51.87(12) . .
O2 La1 O7 125.87(11) 3_455 .
O1 La1 O1 73.15(11) 5_665 3_455
O3 La1 O1 66.13(11) 8_466 3_455
O9 La1 O1 108.68(16) . 3_455
O4 La1 O1 71.53(11) 2_654 3_455
O8 La1 O1 133.27(15) . 3_455
O6 La1 O1 125.83(11) . 3_455
O2 La1 O1 50.04(10) 3_455 3_455
O7 La1 O1 141.55(11) . 3_455
O1 La1 C16 112.60(12) 5_665 .
O3 La1 C16 155.16(13) 8_466 .
O9A La1 C16 89.95(16) . .
O9 La1 C16 89.95(16) . .
O4 La1 C16 70.76(12) 2_654 .
O8 La1 C16 87.67(16) . .
O6 La1 C16 26.20(13) . .
O2 La1 C16 102.60(12) 3_455 .
O7 La1 C16 25.81(12) . .
O1 La1 C16 137.72(11) 3_455 .
O1 La1 C7 97.93(11) 5_665 3_455
O3 La1 C7 76.23(13) 8_466 3_455
O9A La1 C7 91.51(17) . 3_455
O9 La1 C7 91.51(17) . 3_455
O4 La1 C7 73.42(11) 2_654 3_455
O8 La1 C7 147.35(13) . 3_455
O6 La1 C7 103.31(12) . 3_455
O2 La1 C7 24.73(10) 3_455 3_455
O7 La1 C7 139.80(11) . 3_455
O1 La1 C7 25.34(10) 3_455 3_455
C16 La1 C7 122.31(11) . 3_455
C7 O1 La1 158.4(3) . 5_665
C7 O1 La1 91.0(2) . 3_545
La1 O1 La1 106.85(11) 5_665 3_545
C7 O2 La1 97.5(3) . 3_545
C8 O3 La1 138.7(3) . 8_565
C8 O4 La1 133.9(3) . 2_654
C10 O5 C9 117.6(4) . .
C16 O6 La1 93.5(3) . .
C16 O7 La1 92.1(3) . .
C2 C1 C6 119.6(4) . .
C2 C1 C7 120.7(3) . .
C6 C1 C7 119.7(3) . .
C1 C2 C3 120.4(4) . .
C1 C2 H2 119.8 . .
C3 C2 H2 119.8 . .
C2 C3 C4 119.4(4) . .
C2 C3 C8 119.7(3) . .
C4 C3 C8 120.9(4) . .
C5 C4 C3 120.5(4) . .
C5 C4 H4 119.7 . .
C3 C4 H4 119.7 . .
C4 C5 C6 119.9(4) . .
C4 C5 C9 121.6(4) . .
C6 C5 C9 118.6(4) . .
C5 C6 C1 120.2(4) . .
C5 C6 H6 119.9 . .
C1 C6 H6 119.9 . .
O2 C7 O1 121.4(4) . .
O2 C7 C1 120.5(4) . .
O1 C7 C1 118.1(3) . .
O2 C7 La1 57.8(2) . 3_545
O1 C7 La1 63.7(2) . 3_545
C1 C7 La1 175.3(3) . 3_545
O3 C8 O4 126.8(4) . .
O3 C8 C3 116.0(4) . .
O4 C8 C3 117.2(4) . .
O5 C9 C5 106.5(4) . .
O5 C9 H9A 110.4 . .
C5 C9 H9A 110.4 . .
O5 C9 H9B 110.4 . .
C5 C9 H9B 110.4 . .
H9A C9 H9B 108.6 . .
C15 C10 C11 120.7(5) . .
C15 C10 O5 124.4(5) . .
C11 C10 O5 114.8(5) . .
C10 C11 C12 120.2(6) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
C11 C12 C13 119.8(6) . .
C11 C12 H12 120.1 . .
C13 C12 H12 120.1 . .
C14 C13 C12 118.5(5) . .
C14 C13 C16 121.0(4) . .
C12 C13 C16 120.5(5) . .
C13 C14 C15 121.7(4) . .
C13 C14 H14 119.1 . .
C15 C14 H14 119.1 . .
C10 C15 C14 118.8(5) . .
C10 C15 H15 120.6 . .
C14 C15 H15 120.6 . .
O7 C16 O6 121.9(4) . .
O7 C16 C13 119.4(4) . .
O6 C16 C13 118.8(4) . .
O7 C16 La1 62.1(2) . .
O6 C16 La1 60.3(2) . .
C13 C16 La1 172.5(3) . .
C17 O8 La1 124.6(5) . .
O8 C17 N1 125.2(10) . .
O8 C17 H17 117.4 . .
N1 C17 H17 117.4 . .
C17 N1 C18 125.2(11) . .
C17 N1 C19 119.5(8) . .
C18 N1 C19 115.0(9) . .
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 138.2(7) . .
O9 C20 O10 137.8(14) . .
O9 C20 H20 111.1 . .
O10 C20 H20 111.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O1 2.432(3) 5_665
La1 O3 2.436(3) 8_466
La1 O9A 2.440(5) .
La1 O9 2.440(5) .
La1 O4 2.441(3) 2_654
La1 O8 2.484(5) .
La1 O6 2.514(4) .
La1 O2 2.531(3) 3_455
La1 O7 2.554(3) .
La1 O1 2.659(3) 3_455
La1 C16 2.888(5) .
La1 C7 2.966(4) 3_455
O1 C7 1.269(5) .
O2 C7 1.251(5) .
O3 C8 1.255(5) .
O4 C8 1.256(5) .
O5 C10 1.387(6) .
O5 C9 1.439(7) .
O6 C16 1.278(6) .
O7 C16 1.258(6) .
C1 C2 1.395(5) .
C1 C6 1.408(5) .
C1 C7 1.501(6) .
C2 C3 1.401(6) .
C2 H2 0.9500 .
C3 C4 1.403(5) .
C3 C8 1.518(6) .
C4 C5 1.391(6) .
C4 H4 0.9500 .
C5 C6 1.393(6) .
C5 C9 1.508(6) .
C6 H6 0.9500 .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C15 1.378(7) .
C10 C11 1.386(10) .
C11 C12 1.396(10) .
C11 H11 0.9500 .
C12 C13 1.407(8) .
C12 H12 0.9500 .
C13 C14 1.386(6) .
C13 C16 1.497(7) .
C14 C15 1.399(6) .
C14 H14 0.9500 .
C15 H15 0.9500 .
O8 C17 1.247(9) .
C17 N1 1.307(11) .
C17 H17 0.9500 .
N1 C18 1.414(12) .
N1 C19 1.568(16) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
O9 C20 1.183(8) .
C20 O10 1.250(8) .
C20 H20 0.9500 .
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 -2.1(6) . .
C7 C1 C2 C3 176.8(4) . .
C1 C2 C3 C4 1.5(7) . .
C1 C2 C3 C8 -175.0(4) . .
C2 C3 C4 C5 1.3(7) . .
C8 C3 C4 C5 177.7(5) . .
C3 C4 C5 C6 -3.5(8) . .
C3 C4 C5 C9 177.8(5) . .
C4 C5 C6 C1 2.8(7) . .
C9 C5 C6 C1 -178.3(4) . .
C2 C1 C6 C5 -0.1(7) . .
C7 C1 C6 C5 -179.0(4) . .
La1 O2 C7 O1 -4.1(4) 3_545 .
La1 O2 C7 C1 174.8(3) 3_545 .
La1 O1 C7 O2 -142.0(6) 5_665 .
La1 O1 C7 O2 3.9(4) 3_545 .
La1 O1 C7 C1 39.0(9) 5_665 .
La1 O1 C7 C1 -175.1(3) 3_545 .
La1 O1 C7 La1 -145.9(7) 5_665 3_545
C2 C1 C7 O2 24.7(6) . .
C6 C1 C7 O2 -156.4(4) . .
C2 C1 C7 O1 -156.3(4) . .
C6 C1 C7 O1 22.6(6) . .
La1 O3 C8 O4 -10.9(9) 8_565 .
La1 O3 C8 C3 168.0(4) 8_565 .
La1 O4 C8 O3 33.7(8) 2_654 .
La1 O4 C8 C3 -145.2(3) 2_654 .
C2 C3 C8 O3 -0.4(7) . .
C4 C3 C8 O3 -176.9(5) . .
C2 C3 C8 O4 178.6(4) . .
C4 C3 C8 O4 2.2(7) . .
C10 O5 C9 C5 -169.5(5) . .
C4 C5 C9 O5 -57.9(7) . .
C6 C5 C9 O5 123.3(5) . .
C9 O5 C10 C15 1.4(10) . .
C9 O5 C10 C11 -174.4(7) . .
C15 C10 C11 C12 6.8(12) . .
O5 C10 C11 C12 -177.2(8) . .
C10 C11 C12 C13 -4.1(13) . .
C11 C12 C13 C14 0.9(11) . .
C11 C12 C13 C16 -177.7(7) . .
C12 C13 C14 C15 -0.3(8) . .
C16 C13 C14 C15 178.2(4) . .
C11 C10 C15 C14 -6.2(10) . .
O5 C10 C15 C14 178.2(6) . .
C13 C14 C15 C10 3.0(8) . .
La1 O7 C16 O6 8.5(5) . .
La1 O7 C16 C13 -171.7(4) . .
La1 O6 C16 O7 -8.6(5) . .
La1 O6 C16 C13 171.5(4) . .
C14 C13 C16 O7 17.2(7) . .
C12 C13 C16 O7 -164.3(6) . .
C14 C13 C16 O6 -162.9(5) . .
C12 C13 C16 O6 15.6(8) . .
La1 O8 C17 N1 149.7(8) . .
O8 C17 N1 C18 -178.5(11) . .
O8 C17 N1 C19 8.7(17) . .
La1 O9 C20 O10 -177.9(11) . .
