#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:20:07 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229066 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/02/7230234.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_7230234
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
'[(Eu0.11La0.66Tb0.23)2(C16H9O7)2(C3H7ON)2(H2O)(CHOOH)]??7H2O'
_chemical_formula_sum            'C39 H48 Eu0.22 La1.32 N2 O26 Tb0.46'
_chemical_formula_weight         1250.69
_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                 101.87(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   28.533(6)
_cell_length_b                   14.512(3)
_cell_length_c                   13.441(3)
_cell_measurement_reflns_used    60868
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.46
_cell_measurement_theta_min      2.91
_cell_volume                     5447(2)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.965
_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     0.0219
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_number            8606
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         31.252
_diffrn_reflns_theta_min         2.915
_exptl_absorpt_coefficient_mu    1.920
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_description       block
_exptl_crystal_F_000             2492
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.140
_refine_diff_density_max         2.619
_refine_diff_density_min         -4.353
_refine_diff_density_rms         0.223
_refine_ls_extinction_coef       0.0080(5)
_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         8606
_refine_ls_number_restraints     56
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0797
_refine_ls_R_factor_gt           0.0745
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1453P)²+32.6113P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2150
_refine_ls_wR_factor_ref         0.2208
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7479
_reflns_number_total             8606
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce00008e2.cif
_cod_data_source_block           13R-B-AYY20-LAEUTB
_cod_depositor_comments
'Adding full bibliography for 7230226--7230238.cif.'
_cod_original_cell_volume        5446(2)
_cod_database_code               7230234
_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   0.700
_shelx_estimated_absorpt_t_max   0.775
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 0.32004(2) 0.78683(2) 0.05643(2) 0.03090(14) Uani 0.66 1 d . . P . .
Eu1 Eu 0.32004(2) 0.78683(2) 0.05643(2) 0.03090(14) Uani 0.11 1 d . . P . .
Tb1 Tb 0.32004(2) 0.78683(2) 0.05643(2) 0.03090(14) Uani 0.23 1 d . . P . .
O1 O 0.73476(12) 0.3454(2) -0.0438(3) 0.0343(7) Uani 1 1 d . . . . .
O2 O 0.79727(13) 0.4307(3) -0.0520(3) 0.0403(8) Uani 1 1 d . . . . .
O3 O 0.76550(14) 0.6689(4) -0.3321(4) 0.0501(11) Uani 1 1 d . . . . .
O4 O 0.69210(15) 0.7295(3) -0.3805(3) 0.0381(8) Uani 1 1 d . . . . .
O5 O 0.58088(18) 0.6480(4) -0.1286(5) 0.0654(13) Uani 1 1 d . U . . .
O6 O 0.40062(16) 0.8214(3) 0.0132(4) 0.0465(9) Uani 1 1 d . . . . .
O7 O 0.38786(15) 0.6736(3) 0.0418(3) 0.0419(8) Uani 1 1 d . . . . .
C1 C 0.71987(17) 0.4887(3) -0.1306(4) 0.0329(8) Uani 1 1 d . . . . .
C2 C 0.73633(17) 0.5515(4) -0.1947(4) 0.0344(9) Uani 1 1 d . . . . .
H2 H 0.769199 0.551917 -0.198600 0.041 Uiso 1 1 calc R U . . .
C3 C 0.70460(17) 0.6135(4) -0.2529(4) 0.0355(9) Uani 1 1 d . . . . .
C4 C 0.65634(18) 0.6144(4) -0.2446(4) 0.0387(10) Uani 1 1 d . . . . .
H4 H 0.634647 0.656168 -0.284526 0.046 Uiso 1 1 calc R U . . .
C5 C 0.63992(18) 0.5540(4) -0.1777(4) 0.0407(11) Uani 1 1 d . . . . .
C6 C 0.67192(17) 0.4902(4) -0.1225(4) 0.0347(9) Uani 1 1 d . . . . .
H6 H 0.660829 0.447415 -0.079100 0.042 Uiso 1 1 calc R U . . .
C7 C 0.75293(16) 0.4175(3) -0.0726(3) 0.0317(8) Uani 1 1 d . . . . .
C8 C 0.72216(18) 0.6762(4) -0.3279(4) 0.0378(10) Uani 1 1 d . . . . .
C9 C 0.58902(18) 0.5567(4) -0.1641(5) 0.0439(12) Uani 1 1 d . . . . .
H9A H 0.566745 0.543872 -0.229453 0.053 Uiso 1 1 calc R U . . .
H9B H 0.583893 0.509856 -0.113842 0.053 Uiso 1 1 calc R U . . .
C10 C 0.5390(2) 0.6637(5) -0.0964(7) 0.0584(18) Uani 1 1 d . . . . .
C11 C 0.5313(3) 0.7543(7) -0.0707(9) 0.073(2) Uani 1 1 d . U . . .
H11 H 0.554088 0.800329 -0.077696 0.087 Uiso 1 1 calc R U . . .
C12 C 0.4906(3) 0.7783(5) -0.0346(8) 0.0629(19) Uani 1 1 d . U . . .
H12 H 0.485944 0.840236 -0.016018 0.076 Uiso 1 1 calc R U . . .
C13 C 0.4563(2) 0.7109(3) -0.0256(5) 0.0381(11) Uani 1 1 d . . . . .
C14 C 0.46435(18) 0.6216(4) -0.0534(4) 0.0383(10) Uani 1 1 d . . . . .
H14 H 0.441690 0.575327 -0.046483 0.046 Uiso 1 1 calc R U . . .
C15 C 0.50469(19) 0.5970(4) -0.0915(4) 0.0406(10) Uani 1 1 d . . . . .
H15 H 0.508535 0.535737 -0.113486 0.049 Uiso 1 1 calc R U . . .
C16 C 0.4123(2) 0.7363(4) 0.0120(4) 0.0367(9) Uani 1 1 d . . . . .
O8 O 0.3495(3) 0.7190(4) 0.2299(5) 0.073(2) Uani 1 1 d . . . . .
C17 C 0.3402(4) 0.7500(9) 0.3088(6) 0.082(3) Uani 1 1 d . U . . .
H17 H 0.337197 0.815032 0.313018 0.098 Uiso 1 1 calc R U . . .
N1 N 0.3340(3) 0.7029(7) 0.3860(6) 0.086(3) Uani 1 1 d . U . . .
C18 C 0.3209(5) 0.7414(13) 0.4746(9) 0.106(4) Uani 1 1 d . U . . .
H18A H 0.327113 0.807844 0.476857 0.158 Uiso 1 1 calc R U . . .
H18B H 0.339872 0.712243 0.535528 0.158 Uiso 1 1 calc R U . . .
H18C H 0.286793 0.730353 0.471907 0.158 Uiso 1 1 calc R U . . .
C19 C 0.3466(6) 0.5957(11) 0.3886(11) 0.120(4) Uani 1 1 d . U . . .
H19A H 0.354213 0.577513 0.323483 0.179 Uiso 1 1 calc R U . . .
H19B H 0.319006 0.560075 0.400151 0.179 Uiso 1 1 calc R U . . .
H19C H 0.374226 0.583567 0.443602 0.179 Uiso 1 1 calc R U . . .
O9 O 0.3563(2) 0.9170(5) 0.1641(4) 0.0746(18) Uani 0.5 1 d D . P A 1
C20 C 0.3795(5) 0.9881(7) 0.1857(12) 0.064(4) Uani 0.5 1 d D U P A 1
H20 H 0.410060 0.985091 0.168178 0.077 Uiso 0.5 1 calc R U P A 1
O10 O 0.3726(5) 1.0622(7) 0.2247(8) 0.076(3) Uani 0.5 1 d D U P A 1
O12 O 0.500000 0.7382(8) 0.250000 0.082(2) Uiso 1 2 d S . P B 1
O9A O 0.3563(2) 0.9170(5) 0.1641(4) 0.0746(18) Uani 0.5 1 d . . P A 2
O11 O 0.4085(12) 1.135(2) 0.253(3) 0.186(12) Uiso 0.5 1 d . . P C 2
O13 O 0.500000 0.8982(17) 0.250000 0.202(9) Uiso 1 2 d S . P D 2
O14 O 0.4561(6) 0.9898(13) 0.0593(14) 0.212(7) Uiso 1 1 d . . . . .
O15 O 0.8734(8) 0.5540(17) 0.9386(19) 0.273(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
O3 La1 O1 76.87(14) 8_466 5_665
O3 La1 O4 133.80(14) 8_466 2_654
O1 La1 O4 73.05(13) 5_665 2_654
O3 La1 O9A 71.59(17) 8_466 .
O1 La1 O9A 145.06(16) 5_665 .
O4 La1 O9A 141.18(17) 2_654 .
O3 La1 O9 71.59(17) 8_466 .
O1 La1 O9 145.06(16) 5_665 .
O4 La1 O9 141.18(17) 2_654 .
O3 La1 O8 70.69(18) 8_466 .
O1 La1 O8 81.1(2) 5_665 .
O4 La1 O8 135.49(18) 2_654 .
O9A La1 O8 74.7(2) . .
O9 La1 O8 74.7(2) . .
O3 La1 O6 143.70(15) 8_466 .
O1 La1 O6 137.10(13) 5_665 .
O4 La1 O6 78.57(15) 2_654 .
O9A La1 O6 72.13(17) . .
O9 La1 O6 72.13(17) . .
O8 La1 O6 98.3(2) . .
O3 La1 O2 90.88(16) 8_466 3_455
O1 La1 O2 121.03(12) 5_665 3_455
O4 La1 O2 76.07(14) 2_654 3_455
O9 La1 O2 74.7(2) . 3_455
O8 La1 O2 147.99(17) . 3_455
O6 La1 O2 81.00(14) . 3_455
O3 La1 O7 142.45(15) 8_466 .
O1 La1 O7 88.49(12) 5_665 .
O4 La1 O7 70.79(14) 2_654 .
O9A La1 O7 107.57(19) . .
O9 La1 O7 107.57(19) . .
O8 La1 O7 72.99(15) . .
O6 La1 O7 51.55(14) . .
O2 La1 O7 125.82(13) 3_455 .
O3 La1 O1 66.31(14) 8_466 3_455
O1 La1 O1 73.32(13) 5_665 3_455
O4 La1 O1 71.89(13) 2_654 3_455
O9 La1 O1 106.27(19) . 3_455
O8 La1 O1 133.68(17) . 3_455
O6 La1 O1 126.69(13) . 3_455
O2 La1 O1 49.61(11) 3_455 3_455
O7 La1 O1 141.85(13) . 3_455
O3 La1 C16 154.67(15) 8_466 .
O1 La1 C16 112.23(14) 5_665 .
O4 La1 C16 70.88(15) 2_654 .
O9A La1 C16 91.47(19) . .
O9 La1 C16 91.47(19) . .
O8 La1 C16 86.99(18) . .
O6 La1 C16 26.05(15) . .
O2 La1 C16 102.93(14) 3_455 .
O7 La1 C16 25.66(14) . .
O1 La1 C16 138.30(13) 3_455 .
O3 La1 C7 77.11(15) 8_466 3_455
O1 La1 C7 97.65(13) 5_665 3_455
O4 La1 C7 73.15(13) 2_654 3_455
O9A La1 C7 89.7(2) . 3_455
O9 La1 C7 89.7(2) . 3_455
O8 La1 C7 147.24(15) . 3_455
O6 La1 C7 104.17(14) . 3_455
O2 La1 C7 24.61(12) 3_455 3_455
O7 La1 C7 139.76(12) . 3_455
O1 La1 C7 25.02(12) 3_455 3_455
C16 La1 C7 122.71(14) . 3_455
C7 O1 La1 157.0(3) . 5_665
C7 O1 La1 91.7(3) . 3_545
La1 O1 La1 106.68(13) 5_665 3_545
C7 O2 La1 97.4(3) . 3_545
C8 O3 La1 139.4(4) . 8_565
C8 O4 La1 133.8(4) . 2_654
C10 O5 C9 117.9(5) . .
C16 O6 La1 93.5(3) . .
C16 O7 La1 92.1(3) . .
C6 C1 C2 119.7(4) . .
C6 C1 C7 119.4(4) . .
C2 C1 C7 120.8(4) . .
C3 C2 C1 120.2(4) . .
C3 C2 H2 119.9 . .
C1 C2 H2 119.9 . .
C2 C3 C4 119.6(4) . .
C2 C3 C8 119.6(4) . .
C4 C3 C8 120.7(4) . .
C5 C4 C3 120.5(5) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
C6 C5 C4 119.0(5) . .
C6 C5 C9 119.6(5) . .
C4 C5 C9 121.4(5) . .
C1 C6 C5 120.8(4) . .
C1 C6 H6 119.6 . .
C5 C6 H6 119.6 . .
O2 C7 O1 121.2(4) . .
O2 C7 C1 120.5(4) . .
O1 C7 C1 118.3(4) . .
O2 C7 La1 58.0(3) . 3_545
O1 C7 La1 63.3(2) . 3_545
C1 C7 La1 175.4(3) . 3_545
O3 C8 O4 126.2(5) . .
O3 C8 C3 116.3(5) . .
O4 C8 C3 117.5(4) . .
O5 C9 C5 106.8(5) . .
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 . .
O5 C10 C11 115.4(6) . .
O5 C10 C15 124.6(6) . .
C11 C10 C15 119.9(6) . .
C10 C11 C12 120.7(8) . .
C10 C11 H11 119.7 . .
C12 C11 H11 119.7 . .
C11 C12 C13 120.1(7) . .
C11 C12 H12 120.0 . .
C13 C12 H12 120.0 . .
C14 C13 C12 118.2(6) . .
C14 C13 C16 121.4(5) . .
C12 C13 C16 120.4(6) . .
C13 C14 C15 122.3(5) . .
C13 C14 H14 118.9 . .
C15 C14 H14 118.9 . .
C10 C15 C14 118.8(6) . .
C10 C15 H15 120.6 . .
C14 C15 H15 120.6 . .
O7 C16 O6 122.1(5) . .
O7 C16 C13 119.2(5) . .
O6 C16 C13 118.8(5) . .
O7 C16 La1 62.3(3) . .
O6 C16 La1 60.4(3) . .
C13 C16 La1 172.2(4) . .
C17 O8 La1 124.5(5) . .
O8 C17 N1 126.3(11) . .
O8 C17 H17 116.9 . .
N1 C17 H17 116.9 . .
C17 N1 C18 124.5(12) . .
C17 N1 C19 118.0(9) . .
C18 N1 C19 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 157.0(9) . .
O9 C20 O10 135.2(15) . .
O9 C20 H20 112.4 . .
O10 C20 H20 112.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O3 2.458(4) 8_466
La1 O1 2.460(4) 5_665
La1 O4 2.463(4) 2_654
La1 O9A 2.473(6) .
La1 O9 2.473(6) .
La1 O8 2.511(6) .
La1 O6 2.535(4) .
La1 O2 2.552(4) 3_455
La1 O7 2.577(4) .
La1 O1 2.667(3) 3_455
La1 C16 2.910(5) .
La1 C7 2.984(5) 3_455
O1 C7 1.263(6) .
O2 C7 1.253(6) .
O3 C8 1.254(6) .
O4 C8 1.259(7) .
O5 C10 1.370(8) .
O5 C9 1.444(8) .
O6 C16 1.280(7) .
O7 C16 1.261(7) .
C1 C6 1.395(6) .
C1 C2 1.400(6) .
C1 C7 1.504(7) .
C2 C3 1.396(7) .
C2 H2 0.9500 .
C3 C4 1.404(7) .
C3 C8 1.517(7) .
C4 C5 1.403(7) .
C4 H4 0.9500 .
C5 C6 1.401(7) .
C5 C9 1.501(7) .
C6 H6 0.9500 .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.388(12) .
C10 C15 1.390(8) .
C11 C12 1.393(12) .
C11 H11 0.9500 .
C12 C13 1.405(9) .
C12 H12 0.9500 .
C13 C14 1.381(7) .
C13 C16 1.494(8) .
C14 C15 1.399(7) .
C14 H14 0.9500 .
C15 H15 0.9500 .
O8 C17 1.231(10) .
C17 N1 1.284(12) .
C17 H17 0.9500 .
N1 C18 1.432(14) .
N1 C19 1.596(18) .
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 1.228(9) .
C20 O10 1.229(9) .
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 -2.0(8) . .
C7 C1 C2 C3 176.0(5) . .
C1 C2 C3 C4 1.9(8) . .
C1 C2 C3 C8 -175.4(5) . .
C2 C3 C4 C5 0.5(9) . .
C8 C3 C4 C5 177.8(5) . .
C3 C4 C5 C6 -2.6(9) . .
C3 C4 C5 C9 177.2(6) . .
C2 C1 C6 C5 -0.2(8) . .
C7 C1 C6 C5 -178.2(5) . .
C4 C5 C6 C1 2.5(9) . .
C9 C5 C6 C1 -177.4(5) . .
La1 O2 C7 O1 -3.7(5) 3_545 .
La1 O2 C7 C1 174.9(4) 3_545 .
La1 O1 C7 O2 -140.0(7) 5_665 .
La1 O1 C7 O2 3.5(5) 3_545 .
La1 O1 C7 C1 41.3(10) 5_665 .
La1 O1 C7 C1 -175.2(4) 3_545 .
La1 O1 C7 La1 -143.6(8) 5_665 3_545
C6 C1 C7 O2 -157.5(5) . .
C2 C1 C7 O2 24.4(7) . .
C6 C1 C7 O1 21.2(7) . .
C2 C1 C7 O1 -156.9(5) . .
La1 O3 C8 O4 -14.5(11) 8_565 .
La1 O3 C8 C3 164.7(5) 8_565 .
La1 O4 C8 O3 34.9(10) 2_654 .
La1 O4 C8 C3 -144.3(4) 2_654 .
C2 C3 C8 O3 -0.8(8) . .
C4 C3 C8 O3 -178.1(6) . .
C2 C3 C8 O4 178.4(5) . .
C4 C3 C8 O4 1.1(8) . .
C10 O5 C9 C5 -170.7(6) . .
C6 C5 C9 O5 120.3(6) . .
C4 C5 C9 O5 -59.5(8) . .
C9 O5 C10 C11 -175.2(8) . .
C9 O5 C10 C15 2.9(12) . .
O5 C10 C11 C12 -178.5(10) . .
C15 C10 C11 C12 3.4(15) . .
C10 C11 C12 C13 -1.1(16) . .
C11 C12 C13 C14 0.0(13) . .
C11 C12 C13 C16 -179.4(8) . .
C12 C13 C14 C15 -1.1(9) . .
C16 C13 C14 C15 178.2(5) . .
O5 C10 C15 C14 177.6(7) . .
C11 C10 C15 C14 -4.5(11) . .
C13 C14 C15 C10 3.4(9) . .
La1 O7 C16 O6 8.9(5) . .
La1 O7 C16 C13 -171.3(4) . .
La1 O6 C16 O7 -9.0(5) . .
La1 O6 C16 C13 171.2(4) . .
C14 C13 C16 O7 17.0(8) . .
C12 C13 C16 O7 -163.7(7) . .
C14 C13 C16 O6 -163.2(5) . .
C12 C13 C16 O6 16.2(9) . .
La1 O8 C17 N1 145.6(9) . .
O8 C17 N1 C18 -176.9(12) . .
O8 C17 N1 C19 9.2(19) . .
La1 O9 C20 O10 131(2) . .
