#------------------------------------------------------------------------------
#$Date: 2021-05-31 11:41:46 +0300 (Mon, 31 May 2021) $
#$Revision: 265630 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/30/1563000.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_1563000
loop_
_publ_author_name
'Tang, Qun'
'Liu, Shu-Xia'
'Liang, Da-Dong'
'Ma, Feng-Ji'
'Ren, Guo-Jian'
'Wei, Feng'
'Yang, Yuan'
'Li, Cong-Cong'
_publ_section_title
;
 Lanthanide-organic complexes based on polyoxometalates: Solvent effect on
 the luminescence properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              85
_journal_page_last               91
_journal_paper_doi               10.1016/j.jssc.2012.02.006
_journal_volume                  190
_journal_year                    2012
_chemical_formula_moiety         'C52 H68 La2 N16 O32, O19 W6'
_chemical_formula_sum            'C52 H68 La2 N16 O51 W6'
_chemical_formula_weight         3114.08
_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_H-M   'P -1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.322(7)
_cell_angle_beta                 100.982(8)
_cell_angle_gamma                116.338(10)
_cell_formula_units_Z            1
_cell_length_a                   13.3315(14)
_cell_length_b                   13.8926(12)
_cell_length_c                   14.2678(12)
_cell_measurement_reflns_used    7696
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.86
_cell_volume                     2187.5(5)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean '100x100 microns'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω scan'
_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  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0794
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13716
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.86
_exptl_absorpt_coefficient_mu    8.915
_exptl_absorpt_correction_T_max  0.184
_exptl_absorpt_correction_T_min  0.070
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    2.364
_exptl_crystal_density_meas      2.364
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1458
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.977
_refine_diff_density_min         -1.140
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     582
_refine_ls_number_reflns         7652
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0322
_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)+(0.0004P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0388
_refine_ls_wR_factor_ref         0.0398
_reflns_number_gt                4943
_reflns_number_total             7696
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2012-190-85.cif
_cod_data_source_block           compound-1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_database_code               1563000
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
C1 C 0.4234(7) 0.0140(6) 0.1582(6) 0.043(2) Uani 1 1 d . . .
C2 C 0.4914(7) 0.1954(6) 0.0059(6) 0.049(2) Uani 1 1 d . . .
C3 C 0.7871(6) 0.0094(7) 0.2644(7) 0.057(3) Uani 1 1 d . . .
H3 H 0.7410 -0.0686 0.2290 0.068 Uiso 1 1 calc R . .
C4 C 0.4503(6) 0.0500(5) 0.2714(6) 0.034(2) Uani 1 1 d . . .
C5 C 0.5679(6) 0.1178(5) 0.3367(6) 0.041(2) Uani 1 1 d . . .
H5 H 0.6306 0.1409 0.3110 0.049 Uiso 1 1 calc R . .
C6 C 0.4922(5) 0.3070(6) 0.0468(6) 0.039(2) Uani 1 1 d . . .
C7 C 0.5914(6) 0.4085(6) 0.0889(6) 0.053(2) Uani 1 1 d . . .
H7 H 0.6638 0.4138 0.0909 0.063 Uiso 1 1 calc R . .
C8 C 0.3610(6) 0.0178(6) 0.3123(7) 0.039(2) Uani 1 1 d . . .
H8 H 0.2827 -0.0273 0.2699 0.047 Uiso 1 1 calc R . .
C9 C 0.3853(6) 0.0509(6) 0.4136(7) 0.047(2) Uani 1 1 d . . .
C10 C 0.3843(6) 0.3025(6) 0.0417(6) 0.049(2) Uani 1 1 d . . .
H10 H 0.3137 0.2330 0.0109 0.059 Uiso 1 1 calc R . .
C11 C 0.3822(7) 0.3976(7) 0.0807(7) 0.056(2) Uani 1 1 d . . .
C12 C 0.4808(10) 0.5013(8) 0.1231(7) 0.077(3) Uani 1 1 d . . .
H12 H 0.4772 0.5670 0.1470 0.092 Uiso 1 1 calc R . .
C13 C 0.7887(7) 0.3659(7) 0.2841(7) 0.063(3) Uani 1 1 d . . .
H13 H 0.7238 0.3673 0.2979 0.076 Uiso 1 1 calc R . .
C14 C 0.9530(7) 0.1584(7) 0.3993(8) 0.101(4) Uani 1 1 d . . .
H14A H 0.9331 0.2046 0.3673 0.152 Uiso 1 1 calc R . .
H14B H 1.0348 0.1816 0.4093 0.152 Uiso 1 1 calc R . .
H14C H 0.9400 0.1677 0.4637 0.152 Uiso 1 1 calc R . .
C15 C 0.9123(7) -0.0356(7) 0.3695(8) 0.093(4) Uani 1 1 d . . .
H15A H 0.9059 -0.0331 0.4358 0.140 Uiso 1 1 calc R . .
H15B H 0.9920 -0.0143 0.3717 0.140 Uiso 1 1 calc R . .
H15C H 0.8590 -0.1116 0.3223 0.140 Uiso 1 1 calc R . .
C16 C 0.5876(8) 0.5055(6) 0.1295(7) 0.067(3) Uani 1 1 d . . .
C18 C 0.9012(7) 0.5571(7) 0.3973(9) 0.112(5) Uani 1 1 d . . .
H18A H 0.9321 0.6194 0.3720 0.169 Uiso 1 1 calc R . .
H18B H 0.9544 0.5770 0.4630 0.169 Uiso 1 1 calc R . .
H18C H 0.8252 0.5418 0.4025 0.169 Uiso 1 1 calc R . .
C19 C 0.9926(6) 0.4590(7) 0.3160(9) 0.109(4) Uani 1 1 d . . .
H19A H 1.0316 0.4474 0.3728 0.164 Uiso 1 1 calc R . .
H19B H 1.0449 0.5314 0.3118 0.164 Uiso 1 1 calc R . .
H19C H 0.9712 0.3992 0.2547 0.164 Uiso 1 1 calc R . .
C20 C 1.1535(7) 0.1282(9) 0.2069(11) 0.158(6) Uani 1 1 d . . .
H20A H 1.1940 0.1036 0.1674 0.236 Uiso 1 1 calc R . .
H20B H 1.1615 0.1091 0.2676 0.236 Uiso 1 1 calc R . .
H20C H 1.1875 0.2093 0.2245 0.236 Uiso 1 1 calc R . .
C21 C 0.9848(11) -0.0466(9) 0.1183(10) 0.159(6) Uani 1 1 d . . .
H21A H 0.9064 -0.0825 0.0712 0.239 Uiso 1 1 calc R . .
H21B H 0.9814 -0.0716 0.1760 0.239 Uiso 1 1 calc R . .
H21C H 1.0329 -0.0669 0.0860 0.239 Uiso 1 1 calc R . .
C22 C 0.5016(6) 0.1177(6) 0.4824(6) 0.046(2) Uani 1 1 d . . .
H22 H 0.5178 0.1387 0.5523 0.055 Uiso 1 1 calc R . .
C23 C 0.5882(6) 0.1493(6) 0.4398(7) 0.041(2) Uani 1 1 d . . .
C24 C 0.8992(11) 0.2854(11) -0.0110(13) 0.124(6) Uani 1 1 d . . .
H24 H 0.9628 0.2734 0.0038 0.148 Uiso 1 1 calc R . .
C25 C 0.7866(11) 0.3189(11) -0.1348(12) 0.200(8) Uani 1 1 d . . .
H25A H 0.7372 0.2520 -0.1940 0.300 Uiso 1 1 calc R . .
H25B H 0.8089 0.3858 -0.1540 0.300 Uiso 1 1 calc R . .
H25C H 0.7439 0.3199 -0.0878 0.300 Uiso 1 1 calc R . .
La1 La 0.68991(3) 0.10287(3) 0.07638(4) 0.03732(13) Uani 1 1 d . . .
N1 N 0.8819(4) 0.0436(5) 0.3373(5) 0.0445(18) Uani 1 1 d . . .
N2 N 0.7129(6) 0.2218(6) 0.5077(7) 0.056(2) Uani 1 1 d . . .
N3 N 0.8890(5) 0.4573(5) 0.3290(5) 0.056(2) Uani 1 1 d . . .
N4 N 1.0353(5) 0.0745(6) 0.1510(6) 0.070(2) Uani 1 1 d . . .
N5 N 0.2886(7) 0.0159(7) 0.4593(7) 0.061(2) Uani 1 1 d . . .
N6 N 0.2665(8) 0.3911(8) 0.0740(7) 0.087(3) Uani 1 1 d . . .
N7 N 0.7026(10) 0.6167(8) 0.1761(8) 0.108(4) Uani 1 1 d . . .
N8 N 0.8819(7) 0.3176(7) -0.0918(8) 0.096(3) Uani 1 1 d . . .
O2 O 0.5021(3) 0.6360(3) 0.3951(4) 0.0454(15) Uani 1 1 d . . .
O3 O 0.7554(4) 0.7634(4) 0.4543(5) 0.075(2) Uani 1 1 d . . .
O4 O 0.6135(3) 0.5212(3) 0.3660(4) 0.0458(15) Uani 1 1 d . . .
O5 O 0.3785(3) 0.4116(3) 0.3016(4) 0.0463(15) Uani 1 1 d . . .
O6 O 0.3773(4) 0.2774(3) 0.4077(4) 0.0454(14) Uani 1 1 d . . .
O7 O 0.4868(4) 0.2806(4) 0.2555(4) 0.0677(18) Uani 1 1 d . . .
O8 O 0.6116(3) 0.3862(4) 0.4697(4) 0.0460(15) Uani 1 1 d . . .
O9 O 0.7493(4) 0.4694(4) 0.6801(4) 0.0647(18) Uani 1 1 d . . .
O10 O 0.7331(3) 0.6083(4) 0.5627(4) 0.0480(15) Uani 1 1 d . . .
O11 O 0.5050(4) 0.0377(4) 0.1193(4) 0.0451(14) Uani 1 1 d . . .
O12 O 0.7523(4) 0.0701(4) 0.2376(4) 0.0656(18) Uani 1 1 d . . .
O13 O 0.6089(4) -0.1048(4) 0.0332(4) 0.0579(18) Uani 1 1 d . . .
O15 O 0.6846(4) 0.0415(4) -0.1060(4) 0.0596(17) Uani 1 1 d . . .
O16 O 0.8399(5) 0.2705(5) 0.0443(6) 0.080(2) Uani 1 1 d . . .
O17 O 0.5903(4) 0.2048(4) 0.0190(5) 0.0638(19) Uani 1 1 d . . .
O18 O 0.7688(5) 0.2765(4) 0.2248(5) 0.072(2) Uani 1 1 d . . .
O19 O 0.7882(5) 0.2738(5) 0.4722(5) 0.082(2) Uani 1 1 d . . .
O20 O 0.7321(5) 0.2258(5) 0.5959(6) 0.089(2) Uani 1 1 d . . .
O21 O 0.3124(6) 0.0303(6) 0.5476(6) 0.086(2) Uani 1 1 d . . .
O22 O 0.1884(5) -0.0279(5) 0.3991(6) 0.088(2) Uani 1 1 d . . .
O23 O 0.1800(5) 0.2972(6) 0.0507(7) 0.122(3) Uani 1 1 d . . .
O24 O 0.2667(6) 0.4801(6) 0.0914(7) 0.141(4) Uani 1 1 d . . .
O25 O 0.6873(7) 0.6998(6) 0.2001(7) 0.149(4) Uani 1 1 d . . .
O26 O 0.7906(7) 0.6163(8) 0.1864(9) 0.172(5) Uani 1 1 d . . .
W1 W 0.49338(3) 0.37394(3) 0.35992(3) 0.04362(11) Uani 1 1 d . . .
W2 W 0.64366(2) 0.48165(3) 0.60356(3) 0.04398(11) Uani 1 1 d . . .
W3 W 0.64722(2) 0.65188(2) 0.47316(3) 0.04550(11) Uani 1 1 d . . .
O14 O 0.8716(4) 0.0813(5) 0.0879(5) 0.086(2) Uani 1 1 d . . .
C17 C 0.9738(11) 0.1178(12) 0.1312(10) 0.145(6) Uani 1 1 d . . .
H17 H 1.0173 0.1971 0.1557 0.174 Uiso 1 1 calc R . .
O1 O 0.5000 0.5000 0.5000 0.0325(18) Uani 1 2 d S . .
C26 C 0.9604(8) 0.3145(7) -0.1565(8) 0.155(4) Uani 1 1 d . . .
H26A H 1.0421 0.3653 -0.1160 0.233 Uiso 1 1 calc R . .
H26B H 0.9420 0.3380 -0.2129 0.233 Uiso 1 1 calc R . .
H26C H 0.9464 0.2383 -0.1812 0.233 Uiso 1 1 calc R . .
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'
W W -0.8490 6.8722 '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
O11 C1 O15 122.8(8) . 2_655
O11 C1 C4 121.4(7) . .
O15 C1 C4 115.8(7) 2_655 .
O11 C1 La1 71.3(4) . 2_655
O15 C1 La1 51.8(4) 2_655 2_655
C4 C1 La1 166.5(6) . 2_655
O17 C2 O13 127.9(6) . 2_655
O17 C2 C6 115.2(7) . .
O13 C2 C6 116.8(6) 2_655 .
O12 C3 N1 126.0(7) . .
C8 C4 C5 118.9(8) . .
C8 C4 C1 120.6(7) . .
C5 C4 C1 120.4(7) . .
C23 C5 C4 118.4(8) . .
C7 C6 C10 118.3(6) . .
C7 C6 C2 123.0(6) . .
C10 C6 C2 118.7(6) . .
C6 C7 C16 120.7(7) . .
C9 C8 C4 120.5(7) . .
C8 C9 C22 122.9(8) . .
C8 C9 N5 121.0(7) . .
C22 C9 N5 116.1(8) . .
C11 C10 C6 120.2(7) . .
C10 C11 C12 122.8(8) . .
C10 C11 N6 119.4(8) . .
C12 C11 N6 117.8(8) . .
C11 C12 C16 116.9(7) . .
O18 C13 N3 126.9(8) . .
C7 C16 C12 121.0(8) . .
C7 C16 N7 117.9(9) . .
C12 C16 N7 121.1(9) . .
C23 C22 C9 115.4(8) . .
C22 C23 C5 124.0(7) . .
C22 C23 N2 118.4(8) . .
C5 C23 N2 117.6(8) . .
O16 C24 N8 126.0(13) . .
O11 La1 O13 76.70(16) . .
O11 La1 O18 84.90(18) . .
O13 La1 O18 140.5(2) . .
O11 La1 O17 71.66(16) . .
O13 La1 O17 128.35(14) . .
O18 La1 O17 75.65(19) . .
O11 La1 O12 79.82(17) . .
O13 La1 O12 73.31(17) . .
O18 La1 O12 69.22(18) . .
O17 La1 O12 136.20(19) . .
O11 La1 O16 140.83(19) . .
O13 La1 O16 140.1(2) . .
O18 La1 O16 71.3(2) . .
O17 La1 O16 72.54(19) . .
O12 La1 O16 117.5(2) . .
O11 La1 O15 120.83(15) . .
O13 La1 O15 77.22(19) . .
O18 La1 O15 141.20(19) . .
O17 La1 O15 85.21(19) . .
O12 La1 O15 138.49(16) . .
O16 La1 O15 70.9(2) . .
O11 La1 O14 143.91(19) . .
O13 La1 O14 76.36(17) . .
O18 La1 O14 101.31(19) . .
O17 La1 O14 144.4(2) . .
O12 La1 O14 69.7(2) . .
O16 La1 O14 73.0(2) . .
O15 La1 O14 75.40(19) . .
O11 La1 O11 74.18(19) . 2_655
O13 La1 O11 65.37(15) . 2_655
O18 La1 O11 141.51(15) . 2_655
O17 La1 O11 67.29(15) . 2_655
O12 La1 O11 134.98(15) . 2_655
O16 La1 O11 105.7(2) . 2_655
O15 La1 O11 46.68(14) . 2_655
O14 La1 O11 114.71(18) . 2_655
O11 La1 C1 98.0(2) . 2_655
O13 La1 C1 70.81(19) . 2_655
O18 La1 C1 147.21(19) . 2_655
O17 La1 C1 74.37(19) . 2_655
O12 La1 C1 143.54(17) . 2_655
O16 La1 C1 87.2(2) . 2_655
O15 La1 C1 22.95(16) . 2_655
O14 La1 C1 95.4(2) . 2_655
O11 La1 C1 23.77(15) 2_655 2_655
C3 N1 C14 121.2(7) . .
C3 N1 C15 122.4(7) . .
C14 N1 C15 115.8(6) . .
O20 N2 O19 124.8(8) . .
O20 N2 C23 116.8(9) . .
O19 N2 C23 118.3(9) . .
C13 N3 C19 119.5(7) . .
C13 N3 C18 121.8(7) . .
C19 N3 C18 118.7(6) . .
C17 N4 C20 128.6(10) . .
C17 N4 C21 121.0(10) . .
C20 N4 C21 110.4(8) . .
O21 N5 O22 125.6(9) . .
O21 N5 C9 119.4(8) . .
O22 N5 C9 114.9(8) . .
O24 N6 O23 125.6(8) . .
O24 N6 C11 116.8(9) . .
O23 N6 C11 117.6(7) . .
O26 N7 O25 128.7(11) . .
O26 N7 C16 119.2(11) . .
O25 N7 C16 112.1(10) . .
C25 N8 C24 125.5(13) . .
C25 N8 C26 116.6(12) . .
C24 N8 C26 114.8(10) . .
W2 O2 W3 117.6(2) 2_666 .
W3 O4 W1 117.3(3) . .
W1 O5 W2 115.8(2) . 2_666
W1 O6 W3 117.8(2) . 2_666
W1 O8 W2 117.8(2) . .
W2 O10 W3 118.03(19) . .
C1 O11 La1 169.2(5) . .
C1 O11 La1 85.0(4) . 2_655
La1 O11 La1 105.82(19) . 2_655
C3 O12 La1 137.3(6) . .
C2 O13 La1 138.0(4) 2_655 .
C1 O15 La1 105.3(5) 2_655 .
C24 O16 La1 136.8(9) . .
C2 O17 La1 136.9(5) . .
C13 O18 La1 164.9(6) . .
O7 W1 O6 103.3(2) . .
O7 W1 O8 104.5(2) . .
O6 W1 O8 87.89(19) . .
O7 W1 O4 103.8(2) . .
O6 W1 O4 152.9(2) . .
O8 W1 O4 85.85(18) . .
O7 W1 O5 101.8(2) . .
O6 W1 O5 87.05(19) . .
O8 W1 O5 153.7(2) . .
O4 W1 O5 87.00(17) . .
O7 W1 O1 179.23(16) . .
O6 W1 O1 76.51(15) . .
O8 W1 O1 76.30(14) . .
O4 W1 O1 76.35(15) . .
O5 W1 O1 77.45(15) . .
O9 W2 O2 103.9(2) . 2_666
O9 W2 O8 104.6(2) . .
O2 W2 O8 87.8(2) 2_666 .
O9 W2 O10 103.9(2) . .
O2 W2 O10 152.21(16) 2_666 .
O8 W2 O10 86.2(2) . .
O9 W2 O5 102.8(2) . 2_666
O2 W2 O5 86.82(19) 2_666 2_666
O8 W2 O5 152.60(17) . 2_666
O10 W2 O5 86.1(2) . 2_666
O9 W2 O1 179.49(18) . .
O2 W2 O1 76.38(13) 2_666 .
O8 W2 O1 75.87(11) . .
O10 W2 O1 75.84(11) . .
O5 W2 O1 76.75(12) 2_666 .
O3 W3 O4 103.9(3) . .
O3 W3 O10 103.8(2) . .
O4 W3 O10 87.30(19) . .
O3 W3 O2 104.1(2) . .
O4 W3 O2 86.79(19) . .
O10 W3 O2 152.12(19) . .
O3 W3 O6 104.1(2) . 2_666
O4 W3 O6 152.06(19) . 2_666
O10 W3 O6 85.7(2) . 2_666
O2 W3 O6 86.9(2) . 2_666
O3 W3 O1 179.6(2) . .
O4 W3 O1 76.41(14) . .
O10 W3 O1 75.96(13) . .
O2 W3 O1 76.17(14) . .
O6 W3 O1 75.66(13) 2_666 .
C17 O14 La1 147.9(8) . .
O14 C17 N4 134.9(14) . .
W1 O1 W1 179.999(14) . 2_666
W1 O1 W3 89.977(17) . .
W1 O1 W3 90.024(16) 2_666 .
W1 O1 W3 90.024(17) . 2_666
W1 O1 W3 89.975(17) 2_666 2_666
W3 O1 W3 179.999(1) . 2_666
W1 O1 W2 90.003(15) . .
W1 O1 W2 89.997(16) 2_666 .
W3 O1 W2 90.157(15) . .
W3 O1 W2 89.843(15) 2_666 .
W1 O1 W2 89.997(15) . 2_666
W1 O1 W2 90.003(15) 2_666 2_666
W3 O1 W2 89.842(15) . 2_666
W3 O1 W2 90.157(15) 2_666 2_666
W2 O1 W2 180.0 . 2_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O11 1.260(9) .
C1 O15 1.259(8) 2_655
C1 C4 1.505(10) .
C1 La1 3.114(8) 2_655
C2 O17 1.238(8) .
C2 O13 1.267(7) 2_655
C2 C6 1.530(9) .
C3 O12 1.221(8) .
C3 N1 1.289(8) .
C4 C8 1.365(10) .
C4 C5 1.404(8) .
C5 C23 1.378(11) .
C6 C7 1.334(8) .
C6 C10 1.399(9) .
C7 C16 1.374(10) .
C8 C9 1.346(11) .
C9 C22 1.408(9) .
C9 N5 1.491(11) .
C10 C11 1.334(9) .
C11 C12 1.347(10) .
C11 N6 1.488(10) .
C12 C16 1.384(11) .
C13 O18 1.227(9) .
C13 N3 1.277(8) .
C14 N1 1.401(8) .
C15 N1 1.458(8) .
C16 N7 1.500(11) .
C18 N3 1.436(9) .
C19 N3 1.418(9) .
C20 N4 1.379(9) .
C21 N4 1.428(9) .
C22 C23 1.351(10) .
C23 N2 1.483(9) .
C24 O16 1.205(17) .
C24 N8 1.339(17) .
C25 N8 1.311(11) .
La1 O11 2.471(5) .
La1 O13 2.468(4) .
La1 O18 2.476(6) .
La1 O17 2.488(5) .
La1 O12 2.498(6) .
La1 O16 2.511(6) .
La1 O15 2.536(6) .
La1 O14 2.549(5) .
La1 O11 2.960(5) 2_655
La1 C1 3.114(8) 2_655
N2 O20 1.220(9) .
N2 O19 1.221(9) .
N4 C17 1.239(10) .
N5 O21 1.188(9) .
N5 O22 1.230(8) .
N6 O24 1.207(8) .
N6 O23 1.215(8) .
N7 O26 1.158(11) .
N7 O25 1.248(11) .
N8 C26 1.530(13) .
O2 W2 1.912(4) 2_666
O2 W3 1.931(4) .
O3 W3 1.702(5) .
O4 W3 1.915(5) .
O4 W1 1.929(4) .
O5 W1 1.930(4) .
O5 W2 1.950(5) 2_666
O6 W1 1.899(5) .
O6 W3 1.936(5) 2_666
O7 W1 1.713(5) .
O8 W1 1.916(4) .
O8 W2 1.922(5) .
O9 W2 1.706(4) .
O10 W2 1.922(5) .
O10 W3 1.923(4) .
O11 La1 2.960(5) 2_655
O13 C2 1.267(7) 2_655
O15 C1 1.259(8) 2_655
W1 O1 2.3175(4) .
W2 O2 1.912(4) 2_666
W2 O5 1.950(5) 2_666
W2 O1 2.3307(4) .
W3 O6 1.936(5) 2_666
W3 O1 2.3254(4) .
O14 C17 1.195(11) .
O1 W1 2.3175(4) 2_666
O1 W3 2.3254(5) 2_666
O1 W2 2.3307(4) 2_666
