#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:16:36 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180420 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/89/7208942.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_7208942
loop_
_publ_author_name
'Jiang, Zhi-Qiang'
'Jiang, Gui-Yuan'
'Hou, Duan-Chuan'
'Wang, Fei'
'Zhao, Zhen'
'Zhang, Jian'
_publ_section_title
;
 Urothermal synthesis of photoluminescent lanthanide--organic frameworks
 with unusual topologies
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              315
_journal_paper_doi               10.1039/c2ce26242h
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C45 H32 La2 N2 O18'
_chemical_formula_weight         1166.55
_chemical_name_systematic
;
?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.0550(4)
_cell_length_b                   16.3958(3)
_cell_length_c                   29.0934(7)
_cell_measurement_reflns_used    9193
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2.3792
_cell_volume                     8612.4(3)
_computing_cell_refinement       SMART
_computing_data_collection       SMART(Bruker,1998)
_computing_data_reduction        SAINT(Bruker,1998)
_computing_molecular_graphics    'SHELXL (Bruker,1998)'
_computing_publication_material  SHELXL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.2083
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_sigmaI/netI    0.0720
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            22269
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.3792
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    2.040
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64619
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.799
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             4592
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.463
_refine_diff_density_min         -0.490
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.580
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     608
_refine_ls_number_reflns         7580
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.580
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0259
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0770
_refine_ls_wR_factor_ref         0.0855
_reflns_number_gt                5303
_reflns_number_total             7580
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26242h.txt
_cod_data_source_block           7
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7208942
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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
La1 La 0.310382(12) 0.220531(12) 0.005816(7) 0.01649(8) Uani 1 1 d .
La2 La 0.162905(12) 0.424859(11) 0.001015(7) 0.01495(8) Uani 1 1 d .
O4 O 0.21083(15) 0.65257(15) 0.46073(8) 0.0246(6) Uani 1 1 d .
O9 O 0.19284(15) 0.30379(15) 0.46105(9) 0.0288(7) Uani 1 1 d .
O14 O 0.40160(14) 0.47010(14) 0.45452(8) 0.0209(6) Uani 1 1 d .
O1 O 0.12124(17) 0.50165(15) 0.06934(9) 0.0310(7) Uani 1 1 d .
O12 O 0.34661(16) 0.33163(15) 0.06167(9) 0.0283(7) Uani 1 1 d .
O11 O 0.27692(16) 0.44107(15) 0.05064(10) 0.0322(7) Uani 1 1 d .
O16 O 0.25612(17) 0.06883(14) 0.00317(8) 0.0258(6) Uani 1 1 d .
O6 O 0.17960(16) 0.29864(15) 0.04834(9) 0.0270(7) Uani 1 1 d .
O10 O 0.09582(19) 0.36808(17) 0.25475(9) 0.0441(9) Uani 1 1 d .
O1W O 0.02791(16) 0.39007(18) 0.01209(11) 0.0338(7) Uani 1 1 d .
H1WA H 0.0219 0.3409 0.0085 0.051 Uiso 1 1 calc R
C20 C 0.3224(2) 0.3998(2) 0.07366(13) 0.0188(8) Uani 1 1 d .
C21 C 0.4036(2) 0.4987(2) 0.28553(13) 0.0291(10) Uani 1 1 d .
O13 O 0.34947(17) 0.35265(15) 0.43345(9) 0.0282(7) Uani 1 1 d .
O8 O 0.12874(15) 0.19041(15) 0.44748(9) 0.0275(6) Uani 1 1 d .
O15 O 0.4142(2) 0.53449(18) 0.24293(9) 0.0556(10) Uani 1 1 d .
O7 O 0.23781(17) 0.19465(16) 0.07953(9) 0.0318(7) Uani 1 1 d .
C26 C 0.4283(2) 0.5146(2) 0.36531(12) 0.0239(9) Uani 1 1 d .
H26A H 0.4498 0.5440 0.3892 0.029 Uiso 1 1 calc R
C27 C 0.1549(2) 0.2582(2) 0.43531(13) 0.0199(8) Uani 1 1 d .
C28 C 0.0773(2) 0.3482(2) 0.17637(13) 0.0279(9) Uani 1 1 d .
H28A H 0.0328 0.3763 0.1795 0.034 Uiso 1 1 calc R
C29 C 0.3786(2) 0.4198(2) 0.42408(13) 0.0195(8) Uani 1 1 d .
O2 O 0.10910(15) 0.63049(15) 0.04724(8) 0.0252(6) Uani 1 1 d .
C32 C 0.1402(2) 0.2868(2) 0.38739(13) 0.0229(9) Uani 1 1 d .
C33 C 0.1101(2) 0.6042(2) 0.12661(12) 0.0198(8) Uani 1 1 d .
C34 C 0.3573(2) 0.4017(2) 0.33889(13) 0.0269(9) Uani 1 1 d .
H34A H 0.3313 0.3539 0.3448 0.032 Uiso 1 1 calc R
C35 C 0.1902(2) 0.6320(2) 0.38099(13) 0.0230(9) Uani 1 1 d .
C36 C 0.3903(3) 0.4967(2) 0.20268(14) 0.0370(11) Uani 1 1 d .
C37 C 0.3480(2) 0.4341(2) 0.11876(13) 0.0199(8) Uani 1 1 d .
C38 C 0.1824(3) 0.2844(3) 0.21124(15) 0.0427(12) Uani 1 1 d .
H38A H 0.2096 0.2714 0.2374 0.051 Uiso 1 1 calc R
O3 O 0.26525(17) 0.54828(16) 0.42781(9) 0.0367(8) Uani 1 1 d .
C40 C 0.1010(2) 0.6579(3) 0.21564(14) 0.0332(10) Uani 1 1 d .
C41 C 0.1270(2) 0.6798(2) 0.37876(13) 0.0274(9) Uani 1 1 d .
H41A H 0.1072 0.7015 0.4056 0.033 Uiso 1 1 calc R
C42 C 0.1194(2) 0.5505(2) 0.16238(13) 0.0254(9) Uani 1 1 d .
H42A H 0.1290 0.4959 0.1561 0.031 Uiso 1 1 calc R
O5 O 0.0879(2) 0.6913(2) 0.25875(10) 0.0593(11) Uani 1 1 d .
C45 C 0.0952(2) 0.6855(2) 0.13592(14) 0.0312(10) Uani 1 1 d .
H45A H 0.0876 0.7221 0.1120 0.037 Uiso 1 1 calc R
C46 C 0.1657(2) 0.2781(2) 0.12887(13) 0.0233(9) Uani 1 1 d .
C47 C 0.1249(3) 0.6674(2) 0.29790(13) 0.0340(11) Uani 1 1 d .
C48 C 0.1192(2) 0.3304(2) 0.21431(13) 0.0298(10) Uani 1 1 d .
C104 C 0.1959(2) 0.2554(2) 0.08287(13) 0.0214(9) Uani 1 1 d .
C50 C 0.2047(3) 0.2578(3) 0.16828(14) 0.0371(11) Uani 1 1 d .
H50A H 0.2469 0.2256 0.1658 0.045 Uiso 1 1 calc R
C51 C 0.3883(2) 0.4442(2) 0.37504(12) 0.0191(8) Uani 1 1 d .
C52 C 0.1154(2) 0.3373(2) 0.29784(13) 0.0304(10) Uani 1 1 d .
C53 C 0.1015(2) 0.3242(2) 0.13334(13) 0.0247(9) Uani 1 1 d .
H53A H 0.0747 0.3390 0.1073 0.030 Uiso 1 1 calc R
C54 C 0.2219(2) 0.6049(3) 0.34050(14) 0.0345(11) Uani 1 1 d .
H54A H 0.2645 0.5731 0.3415 0.041 Uiso 1 1 calc R
C103 C 0.2244(2) 0.6100(2) 0.42542(12) 0.0211(9) Uani 1 1 d .
C58 C 0.4362(2) 0.5413(2) 0.32072(12) 0.0245(9) Uani 1 1 d .
H58A H 0.4637 0.5880 0.3145 0.029 Uiso 1 1 calc R
C60 C 0.0917(3) 0.7115(2) 0.18079(14) 0.0343(11) Uani 1 1 d .
H60A H 0.0830 0.7663 0.1872 0.041 Uiso 1 1 calc R
C62 C 0.0971(3) 0.2601(3) 0.31075(15) 0.0492(14) Uani 1 1 d .
H62A H 0.0766 0.2240 0.2896 0.059 Uiso 1 1 calc R
C63 C 0.1907(3) 0.6246(3) 0.29865(14) 0.0420(12) Uani 1 1 d .
H63A H 0.2137 0.6093 0.2714 0.050 Uiso 1 1 calc R
C65 C 0.4129(3) 0.4099(2) 0.13890(15) 0.0354(11) Uani 1 1 d .
H65A H 0.4427 0.3717 0.1242 0.042 Uiso 1 1 calc R
C68 C 0.3261(3) 0.5227(3) 0.18274(17) 0.0510(14) Uani 1 1 d .
H68A H 0.2965 0.5610 0.1975 0.061 Uiso 1 1 calc R
C69 C 0.4349(3) 0.4415(3) 0.18111(16) 0.0442(13) Uani 1 1 d .
H69A H 0.4794 0.4253 0.1944 0.053 Uiso 1 1 calc R
C70 C 0.3054(2) 0.4918(3) 0.14074(16) 0.0443(13) Uani 1 1 d .
H70A H 0.2620 0.5102 0.1270 0.053 Uiso 1 1 calc R
C71 C 0.1149(3) 0.5763(2) 0.20751(15) 0.0377(12) Uani 1 1 d .
H71A H 0.1210 0.5398 0.2317 0.045 Uiso 1 1 calc R
C72 C 0.1469(3) 0.3894(3) 0.32828(16) 0.0507(14) Uani 1 1 d .
H72A H 0.1598 0.4418 0.3192 0.061 Uiso 1 1 calc R
C73 C 0.0931(3) 0.6955(2) 0.33765(14) 0.0315(10) Uani 1 1 d .
H73A H 0.0490 0.7249 0.3367 0.038 Uiso 1 1 calc R
C75 C 0.1095(3) 0.2360(2) 0.35555(15) 0.0424(13) Uani 1 1 d .
H75A H 0.0964 0.1834 0.3643 0.051 Uiso 1 1 calc R
C76 C 0.1597(3) 0.3642(3) 0.37282(16) 0.0459(14) Uani 1 1 d .
H76A H 0.1819 0.4000 0.3935 0.055 Uiso 1 1 calc R
C79 C 0.3641(3) 0.4288(2) 0.29390(14) 0.0354(11) Uani 1 1 d .
H79A H 0.3422 0.4001 0.2699 0.042 Uiso 1 1 calc R
O17 O 0.44541(16) 0.26361(17) -0.00781(10) 0.0363(8) Uani 1 1 d .
N2 N 0.4508(2) 0.3999(2) -0.02640(14) 0.0404(9) Uani 1 1 d .
H2A H 0.4100 0.4167 -0.0144 0.049 Uiso 1 1 calc R
C102 C 0.4788(2) 0.3241(2) -0.02158(15) 0.0322(10) Uani 1 1 d .
N1 N 0.5497(2) 0.3251(2) -0.03510(16) 0.0547(12) Uani 1 1 d .
H1A H 0.5778 0.2827 -0.0362 0.066 Uiso 1 1 calc R
C101 C 0.4998(3) 0.4493(3) -0.0549(2) 0.0555(15) Uani 1 1 d .
H10A H 0.5016 0.5054 -0.0443 0.067 Uiso 1 1 calc R
H10B H 0.4849 0.4482 -0.0869 0.067 Uiso 1 1 calc R
C100 C 0.5731(3) 0.4064(3) -0.0476(2) 0.0701(19) Uani 1 1 d .
H10C H 0.6024 0.4060 -0.0756 0.084 Uiso 1 1 calc R
H10D H 0.6014 0.4318 -0.0232 0.084 Uiso 1 1 calc R
C31 C 0.1135(2) 0.5764(2) 0.07779(13) 0.0191(8) Uani 1 1 d .
H1WB H 0.002(3) 0.427(2) 0.0208(15) 0.034(14) 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 0.0033 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
O2 La1 O4 150.82(9) 8_655 2_564
O2 La1 O9 132.28(8) 8_655 7_565
O4 La1 O9 74.37(8) 2_564 7_565
O2 La1 O13 87.54(8) 8_655 7_565
O4 La1 O13 90.05(8) 2_564 7_565
O9 La1 O13 74.29(9) 7_565 7_565
O2 La1 O12 87.92(8) 8_655 .
O4 La1 O12 77.07(8) 2_564 .
O9 La1 O12 131.60(8) 7_565 .
O13 La1 O12 143.77(9) 7_565 .
O2 La1 O7 77.66(9) 8_655 .
O4 La1 O7 120.23(8) 2_564 .
O9 La1 O7 88.60(9) 7_565 .
O13 La1 O7 140.04(8) 7_565 .
O12 La1 O7 73.26(9) . .
O2 La1 O17 70.81(9) 8_655 .
O4 La1 O17 80.50(9) 2_564 .
O9 La1 O17 139.68(9) 7_565 .
O13 La1 O17 74.73(9) 7_565 .
O12 La1 O17 69.85(9) . .
O7 La1 O17 131.57(9) . .
O2 La1 O16 70.36(9) 8_655 .
O4 La1 O16 134.90(8) 2_564 .
O9 La1 O16 61.95(8) 7_565 .
O13 La1 O16 68.67(8) 7_565 .
O12 La1 O16 141.60(8) . .
O7 La1 O16 71.40(8) . .
O17 La1 O16 126.79(9) . .
O2 La1 O6 122.73(8) 8_655 .
O4 La1 O6 74.67(7) 2_564 .
O9 La1 O6 67.21(8) 7_565 .
O13 La1 O6 141.08(8) 7_565 .
O12 La1 O6 68.01(8) . .
O7 La1 O6 46.34(8) . .
O17 La1 O6 134.69(8) . .
O16 La1 O6 97.02(8) . .
O2 La1 C104 98.88(9) 8_655 .
O4 La1 C104 97.13(9) 2_564 .
O9 La1 C104 80.90(9) 7_565 .
O13 La1 C104 151.25(10) 7_565 .
O12 La1 C104 64.83(9) . .
O7 La1 C104 23.11(9) . .
O17 La1 C104 133.87(9) . .
O16 La1 C104 87.04(9) . .
O6 La1 C104 23.93(8) . .
O1 La2 O14 86.67(8) . 2_564
O1 La2 O6 90.89(8) . .
O14 La2 O6 158.48(9) 2_564 .
O1 La2 O1W 73.64(10) . .
O14 La2 O1W 76.88(9) 2_564 .
O6 La2 O1W 81.91(10) . .
O1 La2 O8 143.44(9) . 7_565
O14 La2 O8 93.93(8) 2_564 7_565
O6 La2 O8 75.52(9) . 7_565
O1W La2 O8 70.96(9) . 7_565
O1 La2 O11 74.63(10) . .
O14 La2 O11 128.37(8) 2_564 .
O6 La2 O11 71.03(9) . .
O1W La2 O11 137.49(10) . .
O8 La2 O11 129.02(8) 7_565 .
O1 La2 O3 138.08(9) . 2_564
O14 La2 O3 70.19(9) 2_564 2_564
O6 La2 O3 122.99(9) . 2_564
O1W La2 O3 129.89(10) . 2_564
O8 La2 O3 74.73(9) 7_565 2_564
O11 La2 O3 92.57(10) . 2_564
O1 La2 O16 73.08(8) . 8_665
O14 La2 O16 70.69(8) 2_564 8_665
O6 La2 O16 128.81(8) . 8_665
O1W La2 O16 134.23(9) . 8_665
O8 La2 O16 141.13(8) 7_565 8_665
O11 La2 O16 57.94(8) . 8_665
O3 La2 O16 66.52(8) 2_564 8_665
O1 La2 O4 143.00(9) . 2_564
O14 La2 O4 117.32(8) 2_564 2_564
O6 La2 O4 76.26(8) . 2_564
O1W La2 O4 136.19(9) . 2_564
O8 La2 O4 67.04(8) 7_565 2_564
O11 La2 O4 68.39(8) . 2_564
O3 La2 O4 47.50(8) 2_564 2_564
O16 La2 O4 88.10(8) 8_665 2_564
O1 La2 C103 151.50(10) . 2_564
O14 La2 C103 92.88(9) 2_564 2_564
O6 La2 C103 99.27(9) . 2_564
O1W La2 C103 133.95(10) . 2_564
O8 La2 C103 65.04(9) 7_565 2_564
O11 La2 C103 83.58(10) . 2_564
O3 La2 C103 23.73(9) 2_564 2_564
O16 La2 C103 79.89(9) 8_665 2_564
O4 La2 C103 24.45(8) 2_564 2_564
C103 O4 La1 156.7(2) . 2_565
C103 O4 La2 86.2(2) . 2_565
La1 O4 La2 106.12(9) 2_565 2_565
C27 O9 La1 132.1(2) . 7_566
C29 O14 La2 132.3(2) . 2_565
C31 O1 La2 133.4(2) . .
C20 O12 La1 137.2(2) . .
C20 O11 La2 141.2(2) . .
La1 O16 La2 126.75(12) . 8_655
C104 O6 La2 158.2(2) . .
C104 O6 La1 84.5(2) . .
La2 O6 La1 102.95(9) . .
C48 O10 C52 121.4(3) . .
O12 C20 O11 124.1(3) . .
O12 C20 C37 118.1(3) . .
O11 C20 C37 117.7(3) . .
C79 C21 C58 121.1(4) . .
C79 C21 O15 125.8(4) . .
C58 C21 O15 113.1(3) . .
C29 O13 La1 135.9(2) . 7_566
C27 O8 La2 138.0(2) . 7_566
C21 O15 C36 121.4(3) . .
C104 O7 La1 104.0(2) . .
C58 C26 C51 120.6(3) . .
O8 C27 O9 124.1(3) . .
O8 C27 C32 118.3(3) . .
O9 C27 C32 117.6(3) . .
C48 C28 C53 119.6(4) . .
O13 C29 O14 123.6(3) . .
O13 C29 C51 119.5(3) . .
O14 C29 C51 116.9(3) . .
C31 O2 La1 138.6(3) . 8_665
C75 C32 C76 117.1(4) . .
C75 C32 C27 120.9(3) . .
C76 C32 C27 121.9(4) . .
C42 C33 C45 119.5(4) . .
C42 C33 C31 121.4(3) . .
C45 C33 C31 119.2(3) . .
C51 C34 C79 121.5(4) . .
C54 C35 C41 118.9(4) . .
C54 C35 C103 119.6(3) . .
C41 C35 C103 121.6(3) . .
C69 C36 C68 120.9(4) . .
C69 C36 O15 119.9(4) . .
C68 C36 O15 118.8(4) . .
C65 C37 C70 118.6(4) . .
C65 C37 C20 121.9(3) . .
C70 C37 C20 119.5(4) . .
C48 C38 C50 118.3(4) . .
C103 O3 La2 102.0(2) . 2_565
C60 C40 C71 121.6(4) . .
C60 C40 O5 113.6(4) . .
C71 C40 O5 124.5(4) . .
C73 C41 C35 121.1(4) . .
C33 C42 C71 121.1(4) . .
C47 O5 C40 123.6(3) . .
C60 C45 C33 119.5(4) . .
C50 C46 C53 118.5(4) . .
C50 C46 C104 119.7(4) . .
C53 C46 C104 121.6(3) . .
C73 C47 O5 113.5(4) . .
C73 C47 C63 121.2(4) . .
O5 C47 C63 125.1(4) . .
C28 C48 C38 121.6(4) . .
C28 C48 O10 114.7(4) . .
C38 C48 O10 123.4(4) . .
O7 C104 O6 121.6(3) . .
O7 C104 C46 119.2(3) . .
O6 C104 C46 119.2(3) . .
O7 C104 La1 52.85(19) . .
O6 C104 La1 71.6(2) . .
C46 C104 La1 159.7(3) . .
C38 C50 C46 121.6(4) . .
C34 C51 C26 118.3(3) . .
C34 C51 C29 123.1(3) . .
C26 C51 C29 118.5(3) . .
C72 C52 C62 120.5(4) . .
C72 C52 O10 117.7(4) . .
C62 C52 O10 121.5(4) . .
C28 C53 C46 120.2(4) . .
C35 C54 C63 120.5(4) . .
O3 C103 O4 120.9(3) . .
O3 C103 C35 119.4(3) . .
O4 C103 C35 119.7(3) . .
O3 C103 La2 54.28(19) . 2_565
O4 C103 La2 69.3(2) . 2_565
C35 C103 La2 162.8(3) . 2_565
C21 C58 C26 119.8(4) . .
C40 C60 C45 120.3(4) . .
C52 C62 C75 119.2(4) . .
C47 C63 C54 119.0(4) . .
C37 C65 C69 120.9(4) . .
C36 C68 C70 119.6(4) . .
C36 C69 C65 119.0(4) . .
C37 C70 C68 121.0(4) . .
C40 C71 C42 118.0(4) . .
C52 C72 C76 119.8(4) . .
C41 C73 C47 119.1(4) . .
C32 C75 C62 122.2(4) . .
C72 C76 C32 121.3(4) . .
C21 C79 C34 118.7(4) . .
C102 O17 La1 137.6(3) . .
C102 N2 C101 110.1(4) . .
O17 C102 N1 125.0(4) . .
O17 C102 N2 126.5(4) . .
N1 C102 N2 108.5(4) . .
C102 N1 C100 111.3(4) . .
N2 C101 C100 101.1(4) . .
N1 C100 C101 102.0(4) . .
O1 C31 O2 123.7(3) . .
O1 C31 C33 119.2(3) . .
O2 C31 C33 117.1(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O2 2.397(2) 8_655
La1 O4 2.489(2) 2_564
La1 O9 2.522(3) 7_565
La1 O13 2.524(2) 7_565
La1 O12 2.527(2) .
La1 O7 2.549(3) .
La1 O17 2.569(3) .
La1 O16 2.674(2) .
La1 O6 2.957(3) .
La1 C104 3.102(4) .
La2 O1 2.470(2) .
La2 O14 2.480(2) 2_564
La2 O6 2.504(2) .
La2 O1W 2.524(3) .
La2 O8 2.525(2) 7_565
La2 O11 2.528(3) .
La2 O3 2.532(3) 2_564
La2 O16 2.777(2) 8_665
La2 O4 2.861(3) 2_564
La2 C103 3.051(4) 2_564
O4 C103 1.266(4) .
O4 La1 2.489(2) 2_565
O4 La2 2.861(3) 2_565
O9 C27 1.261(4) .
O9 La1 2.522(3) 7_566
O14 C29 1.279(4) .
O14 La2 2.480(2) 2_565
O1 C31 1.258(4) .
O12 C20 1.250(4) .
O11 C20 1.257(4) .
O16 La2 2.777(2) 8_655
O6 C104 1.264(4) .
O10 C48 1.394(5) .
O10 C52 1.396(4) .
C20 C37 1.500(5) .
C21 C79 1.372(5) .
C21 C58 1.372(5) .
C21 O15 1.385(5) .
O13 C29 1.251(4) .
O13 La1 2.524(2) 7_566
O8 C27 1.258(4) .
O8 La2 2.525(2) 7_566
O15 C36 1.394(5) .
O7 C104 1.255(4) .
C26 C58 1.376(5) .
C26 C51 1.391(5) .
C27 C32 1.495(5) .
C28 C48 1.370(5) .
C28 C53 1.383(5) .
C29 C51 1.492(5) .
O2 C31 1.258(4) .
O2 La1 2.397(2) 8_665
C32 C75 1.364(5) .
C32 C76 1.384(5) .
C33 C42 1.374(5) .
C33 C45 1.386(5) .
C33 C31 1.493(5) .
C34 C51 1.379(5) .
C34 C79 1.388(5) .
C35 C54 1.384(5) .
C35 C41 1.386(5) .
C35 C103 1.477(5) .
C36 C69 1.364(6) .
C36 C68 1.365(6) .
C37 C65 1.370(5) .
C37 C70 1.377(5) .
C38 C48 1.371(6) .
C38 C50 1.383(6) .
O3 C103 1.255(4) .
O3 La2 2.532(3) 2_565
C40 C60 1.353(6) .
C40 C71 1.382(5) .
C40 O5 1.389(4) .
C41 C73 1.368(5) .
C42 C71 1.382(6) .
O5 C47 1.377(5) .
C45 C60 1.375(5) .
C46 C50 1.386(6) .
C46 C53 1.390(5) .
C46 C104 1.493(5) .
C47 C73 1.371(6) .
C47 C63 1.381(6) .
C52 C72 1.355(6) .
C52 C62 1.362(6) .
C54 C63 1.380(6) .
C103 La2 3.051(4) 2_565
C62 C75 1.380(6) .
C65 C69 1.391(6) .
C68 C70 1.374(6) .
C72 C76 1.379(6) .
O17 C102 1.228(5) .
N2 C102 1.349(5) .
N2 C101 1.458(6) .
C102 N1 1.340(6) .
N1 C100 1.446(6) .
C101 C100 1.513(7) .
