#------------------------------------------------------------------------------
#$Date: 2019-09-10 12:31:38 +0300 (Tue, 10 Sep 2019) $
#$Revision: 218136 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/37/7233748.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_7233748
loop_
_publ_author_name
'X. Fan'
'S. Freslon'
'C. Daiguebonne'
'G. Calvez'
'L. Le Polles'
'K. Bernot'
'O. Guillou'
_publ_section_title
;
 Heteronuclear lanthanide-based coordination polymers exhibiting tunable
 multiple emission spectra
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              5510
_journal_page_last               5525
_journal_paper_doi               10.1039/C4TC00506F
_journal_volume                  2
_journal_year                    2014
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C24 H37 La2 O29'
_chemical_formula_sum            'C24 H37 La2 O29'
_chemical_formula_weight         1067.36
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 107.658(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            8
_cell_length_a                   17.906(5)
_cell_length_b                   21.419(5)
_cell_length_c                   19.917(5)
_cell_measurement_reflns_used    44529
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.91
_cell_measurement_wavelength     0.71073
_cell_volume                     7279(3)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0603
_diffrn_reflns_av_unetI/netI     0.0458
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            79264
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    2.423
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.948
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4216
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.411
_refine_diff_density_min         -1.203
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     997
_refine_ls_number_reflns         16651
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_all          0.0864
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0301P)²+28.9959P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0875
_refine_ls_wR_factor_ref         0.1107
_reflns_number_gt                10931
_reflns_number_total             16651
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2014-2-5510.cif
_cod_data_source_block           import
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7233748
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C48 C 0.0603(3) 0.3124(3) 0.0880(3) 0.0229(12) Uani 1 1 d . . .
C50 C -0.0624(3) 0.2635(3) 0.0814(3) 0.0205(11) Uani 1 1 d . . .
C53 C 0.5610(3) 0.4393(3) 0.0798(3) 0.0203(11) Uani 1 1 d . . .
C56 C 0.4822(3) 0.5411(3) 0.1135(3) 0.0218(11) Uani 1 1 d . . .
H56 H 0.4563 0.575 0.1254 0.026 Uiso 1 1 calc R . .
C58 C -0.0681(3) 0.1807(3) -0.0865(3) 0.0253(12) Uani 1 1 d . . .
C59 C 0.4411(3) 0.4876(2) 0.0852(3) 0.0181(11) Uani 1 1 d . . .
C61 C 0.4463(4) 0.3537(3) 0.2358(3) 0.0296(13) Uani 1 1 d . . .
C63 C 0.0511(3) 0.2323(3) -0.0824(3) 0.0233(12) Uani 1 1 d . . .
C64 C 0.4140(3) 0.4095(3) 0.2490(3) 0.0292(13) Uani 1 1 d . . .
H64 H 0.3615 0.4116 0.2469 0.035 Uiso 1 1 calc R . .
C65 C 0.4806(3) 0.4361(3) 0.0699(3) 0.0225(11) Uani 1 1 d . . .
H65 H 0.4533 0.3995 0.053 0.027 Uiso 1 1 calc R . .
C66 C 0.5024(3) -0.0377(3) -0.1049(3) 0.0243(12) Uani 1 1 d . . .
H66 H 0.5278 -0.0746 -0.1095 0.029 Uiso 1 1 calc R . .
C67 C 0.5624(3) 0.5436(3) 0.1241(3) 0.0209(11) Uani 1 1 d . . .
C68 C -0.5965(3) 0.2733(3) -0.2315(3) 0.0247(12) Uani 1 1 d . . .
C69 C -0.0205(3) 0.3154(3) 0.0723(3) 0.0208(11) Uani 1 1 d . . .
H69 H -0.0467 0.3525 0.0556 0.025 Uiso 1 1 calc R . .
C70 C -0.1098(3) 0.2348(3) -0.1126(3) 0.0268(13) Uani 1 1 d . . .
H70 H -0.1638 0.2359 -0.1212 0.032 Uiso 1 1 calc R . .
C71 C -0.6156(3) 0.0989(3) -0.2652(3) 0.0275(12) Uani 1 1 d . . .
C72 C 0.0100(3) 0.2864(3) -0.1101(3) 0.0271(13) Uani 1 1 d . . .
H72 H 0.0365 0.3217 -0.1179 0.033 Uiso 1 1 calc R . .
C73 C 0.6337(3) 0.0156(3) -0.0604(3) 0.0206(11) Uani 1 1 d . . .
C74 C -0.1091(3) 0.1240(3) -0.0709(3) 0.0253(12) Uani 1 1 d . . .
C75 C -0.4807(3) 0.1264(3) -0.2444(3) 0.0284(13) Uani 1 1 d . . .
C76 C 0.5073(3) 0.0710(3) -0.0743(3) 0.0230(12) Uani 1 1 d . . .
H76 H 0.5358 0.1075 -0.0598 0.028 Uiso 1 1 calc R . .
C77 C -0.0225(3) 0.2082(2) 0.1081(3) 0.0204(11) Uani 1 1 d . . .
H77 H -0.0501 0.1733 0.1151 0.024 Uiso 1 1 calc R . .
C79 C 0.5705(3) 0.4035(3) 0.2525(3) 0.0277(13) Uani 1 1 d . . .
C81 C 0.3833(3) 0.0177(3) -0.1136(3) 0.0232(11) Uani 1 1 d . . .
H81 H 0.329 0.018 -0.1239 0.028 Uiso 1 1 calc R . .
C82 C 0.6551(3) 0.3983(3) 0.2519(3) 0.0318(14) Uani 1 1 d . . .
C83 C 0.5397(3) 0.4593(3) 0.2671(3) 0.0260(12) Uani 1 1 d . . .
H83 H 0.5711 0.4948 0.278 0.031 Uiso 1 1 calc R . .
C84 C 0.6006(3) 0.3831(3) 0.0613(3) 0.0221(11) Uani 1 1 d . . .
C85 C 0.1393(3) 0.2328(3) -0.0611(3) 0.0245(12) Uani 1 1 d . . .
C86 C 0.3545(3) 0.4834(3) 0.0710(3) 0.0200(11) Uani 1 1 d . . .
C87 C -0.4986(3) 0.1890(3) -0.2362(3) 0.0265(12) Uani 1 1 d . . .
H87 H -0.4592 0.2189 -0.2264 0.032 Uiso 1 1 calc R . .
C88 C 0.6014(3) 0.4935(3) 0.1061(3) 0.0222(12) Uani 1 1 d . . .
H88 H 0.6548 0.4963 0.1117 0.027 Uiso 1 1 calc R . .
C89 C -0.0707(3) 0.2870(3) -0.1260(3) 0.0254(12) Uani 1 1 d . . .
C92 C 0.5460(3) 0.0162(3) -0.0807(3) 0.0194(11) Uani 1 1 d . . .
C93 C 0.4612(3) 0.4621(3) 0.2653(3) 0.0263(12) Uani 1 1 d . . .
C96 C -0.5752(3) 0.2064(3) -0.2427(3) 0.0262(12) Uani 1 1 d . . .
C97 C -0.6344(3) 0.1610(3) -0.2583(3) 0.0260(12) Uani 1 1 d . . .
H97 H -0.6861 0.1724 -0.264 0.031 Uiso 1 1 calc R . .
C99 C 0.5238(4) 0.3507(3) 0.2375(3) 0.0313(13) Uani 1 1 d . . .
H99 H 0.5448 0.313 0.2285 0.038 Uiso 1 1 calc R . .
C101 C 0.3861(3) 0.1295(3) -0.0772(3) 0.0226(11) Uani 1 1 d . . .
C102 C 0.0596(3) 0.2058(2) 0.1242(3) 0.0221(11) Uani 1 1 d . . .
C103 C -0.5395(4) 0.0821(3) -0.2596(3) 0.0307(13) Uani 1 1 d . . .
H103 H -0.5278 0.0406 -0.2661 0.037 Uiso 1 1 calc R . .
C104 C 0.0130(3) 0.1791(3) -0.0720(3) 0.0261(12) Uani 1 1 d . . .
H104 H 0.041 0.1427 -0.0556 0.031 Uiso 1 1 calc R . .
C109 C 0.4213(3) -0.0364(3) -0.1221(3) 0.0235(12) Uani 1 1 d . . .
C131 C 0.1034(3) 0.3693(3) 0.0757(3) 0.0220(11) Uani 1 1 d . . .
C200 C -0.3964(4) 0.1070(4) -0.2363(3) 0.0357(15) Uani 1 1 d . . .
C201 C 0.4257(3) 0.5221(3) 0.2822(3) 0.0269(12) Uani 1 1 d . . .
C202 C 0.1001(3) 0.2575(2) 0.1125(3) 0.0213(11) Uani 1 1 d . . .
H202 H 0.1541 0.2554 0.121 0.026 Uiso 1 1 calc R . .
C203 C -0.1499(3) 0.2661(3) 0.0612(3) 0.0201(11) Uani 1 1 d . . .
C204 C 0.4259(3) 0.0717(2) -0.0897(3) 0.0193(11) Uani 1 1 d . . .
La1 La 0.181117(16) 0.478850(15) 0.031437(17) 0.01926(8) Uani 1 1 d . . .
La2 La 0.313062(17) 0.234054(15) -0.025907(17) 0.02152(8) Uani 1 1 d . . .
La3 La 0.809216(17) 0.019919(15) -0.024431(16) 0.01879(8) Uani 1 1 d . . .
La4 La -0.323935(16) 0.274140(15) 0.013434(16) 0.01812(8) Uani 1 1 d . . .
O1 O 0.0683(2) 0.4203(2) 0.0596(2) 0.0338(10) Uani 1 1 d . . .
O2 O 0.1759(2) 0.3659(2) 0.0804(2) 0.0324(10) Uani 1 1 d . . .
O3 O 0.1537(2) 0.5925(2) 0.0481(2) 0.0329(10) Uani 1 1 d . . .
O4 O 0.2108(3) 0.4900(2) 0.1645(2) 0.0445(12) Uani 1 1 d . . .
O5 O 0.3177(2) 0.52954(18) 0.0848(2) 0.0257(9) Uani 1 1 d . . .
O6 O 0.3178(2) 0.43437(19) 0.0440(2) 0.0305(10) Uani 1 1 d . . .
O7 O 0.2153(2) 0.5341(2) -0.0674(2) 0.0338(10) Uani 1 1 d . . .
O8 O 0.0543(2) 0.5081(2) -0.0640(2) 0.0367(11) Uani 1 1 d . . .
O9 O 0.1546(3) 0.40413(19) -0.0693(2) 0.0353(10) Uani 1 1 d . . .
O10 O 0.6067(2) 0.59566(19) 0.1521(2) 0.0288(9) Uani 1 1 d . . .
H10 H 0.5778 0.6234 0.1581 0.043 Uiso 1 1 calc R . .
O11 O 0.5662(2) 0.33163(19) 0.0508(2) 0.0329(10) Uani 1 1 d . . .
O12 O 0.6694(2) 0.3876(2) 0.0561(3) 0.0343(10) Uani 1 1 d . . .
O13 O -0.3352(3) 0.3451(2) -0.0918(2) 0.0351(10) Uani 1 1 d . . .
O14 O -0.4528(2) 0.2494(2) -0.0771(2) 0.0328(10) Uani 1 1 d . . .
O15 O -0.2938(2) 0.2106(2) -0.0820(2) 0.0302(9) Uani 1 1 d . . .
O16 O -0.3581(2) 0.16370(19) 0.0355(2) 0.0292(9) Uani 1 1 d . . .
O17 O -0.2991(2) 0.2598(2) 0.1470(2) 0.0342(10) Uani 1 1 d . . .
O18 O -0.1846(2) 0.31576(19) 0.0348(2) 0.0315(10) Uani 1 1 d . . .
O19 O -0.1890(2) 0.21937(19) 0.0692(2) 0.0271(9) Uani 1 1 d . . .
O20 O 0.1008(2) 0.15302(19) 0.1500(3) 0.0332(10) Uani 1 1 d . . .
H20 H 0.073 0.1289 0.1637 0.05 Uiso 1 1 calc R . .
O21 O 0.6712(2) 0.06580(19) -0.0407(2) 0.0315(10) Uani 1 1 d . . .
O22 O 0.6704(2) -0.03383(18) -0.0626(2) 0.0299(10) Uani 1 1 d . . .
O23 O 0.7935(2) -0.0425(2) 0.0780(2) 0.0320(10) Uani 1 1 d . . .
O24 O 0.8411(3) -0.0902(2) -0.0515(2) 0.0354(10) Uani 1 1 d . . .
O25 O 0.7616(3) 0.0154(3) -0.1572(2) 0.0485(13) Uani 1 1 d . . .
O26 O 0.9425(2) -0.0041(2) 0.0640(2) 0.0350(10) Uani 1 1 d . . .
O27 O 0.8260(3) 0.09285(19) 0.0798(2) 0.0317(10) Uani 1 1 d . . .
O28 O -0.1759(2) 0.1308(2) -0.0622(2) 0.0346(10) Uani 1 1 d . . .
O29 O -0.0780(2) 0.0710(2) -0.0650(2) 0.0343(10) Uani 1 1 d . . .
O30 O 0.1754(2) 0.2824(2) -0.0652(3) 0.0356(10) Uani 1 1 d . . .
O31 O 0.2903(3) 0.2879(2) 0.0780(2) 0.0377(11) Uani 1 1 d . . .
O32 O 0.3449(3) 0.1565(2) 0.0739(2) 0.0444(12) Uani 1 1 d . . .
O33 O 0.3149(2) 0.12658(19) -0.0788(2) 0.0296(9) Uani 1 1 d . . .
O34 O 0.4227(2) 0.1803(2) -0.0635(2) 0.0342(10) Uani 1 1 d . . .
O35 O 0.4451(2) 0.2632(2) 0.0650(2) 0.0414(11) Uani 1 1 d . . .
O36 O 0.2612(3) 0.2417(2) -0.1609(2) 0.0442(12) Uani 1 1 d . . .
O37 O 0.3371(3) 0.3469(2) -0.0522(2) 0.0346(10) Uani 1 1 d . . .
O38 O -0.1136(2) 0.3391(2) -0.1546(3) 0.0358(11) Uani 1 1 d . . .
H38 H -0.0849 0.3648 -0.1649 0.054 Uiso 1 1 calc R . .
O39 O 0.3803(2) -0.09090(19) -0.1460(2) 0.0321(10) Uani 1 1 d . . .
H39 H 0.3334 -0.083 -0.1621 0.048 Uiso 1 1 calc R . .
O40 O -0.5423(2) 0.3085(2) -0.1962(2) 0.0369(11) Uani 1 1 d . . .
O41 O -0.6671(2) 0.2902(2) -0.2554(2) 0.0341(10) Uani 1 1 d . . .
O42 O -0.3442(3) 0.1473(3) -0.2089(3) 0.0559(15) Uani 1 1 d . . .
O43 O -0.3830(3) 0.0540(3) -0.2545(3) 0.0534(14) Uani 1 1 d . . .
O45 O 0.6967(2) 0.4460(2) 0.2615(3) 0.0429(12) Uani 1 1 d . . .
O46 O 0.6792(3) 0.3448(2) 0.2421(3) 0.0434(12) Uani 1 1 d . . .
O47 O 0.4013(3) 0.3005(2) 0.2201(3) 0.0408(11) Uani 1 1 d . . .
H47 H 0.3622 0.3048 0.2328 0.061 Uiso 1 1 calc R . .
O48 O 0.4729(2) 0.5624(2) 0.3177(2) 0.0353(10) Uani 1 1 d . . .
O49 O 0.3529(2) 0.5282(2) 0.2632(2) 0.0355(10) Uani 1 1 d . . .
O50 O 0.1777(2) 0.1839(2) -0.0380(3) 0.0364(11) Uani 1 1 d . . .
O51 O -0.6714(2) 0.0527(2) -0.2793(3) 0.0374(11) Uani 1 1 d . . .
H51 H -0.7119 0.0664 -0.2737 0.056 Uiso 1 1 calc R . .
O52 O 0.2216(3) 0.9262(3) 0.7984(2) 0.0489(13) Uani 1 1 d . . .
O53 O 0.7171(5) 0.3225(5) 0.7859(4) 0.126(4) Uani 1 1 d . . .
O54 O 0.4698(4) 0.1902(3) 0.1970(4) 0.093(2) Uani 1 1 d . . .
O55 O 0.0367(3) 0.5571(3) 0.1884(3) 0.0612(15) Uani 1 1 d . . .
O56 O 0.7615(3) 0.1899(5) 0.7370(4) 0.104(3) Uani 1 1 d . . .
O57 O 0.3689(5) 0.8128(4) 0.7419(5) 0.114(3) Uani 1 1 d . . .
O101 O 0.1149(5) 0.4326(4) -0.2054(4) 0.102(3) Uani 1 1 d . . .
O103 O 0.7988(19) 0.364(2) 0.7002(13) 0.66(4) Uani 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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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
C202 C48 C69 120.6(5) . .
C202 C48 C131 120.7(5) . .
C69 C48 C131 118.6(5) . .
C69 C50 C77 119.6(5) . .
C69 C50 C203 120.0(5) . .
C77 C50 C203 120.4(5) . .
C88 C53 C65 119.5(5) . .
C88 C53 C84 122.4(5) . .
C65 C53 C84 118.0(5) . .
C59 C56 C67 119.4(5) . .
C70 C58 C104 120.3(5) . .
C70 C58 C74 120.8(5) . .
C104 C58 C74 118.9(5) . .
C56 C59 C65 120.0(5) . .
C56 C59 C86 121.3(5) . .
C65 C59 C86 118.6(5) . .
O47 C61 C99 118.8(6) . .
O47 C61 C64 120.6(5) . .
C99 C61 C64 120.6(6) . .
C104 C63 C72 121.5(5) . .
C104 C63 C85 119.2(5) . .
C72 C63 C85 119.3(5) . .
C93 C64 C61 119.1(6) . .
C59 C65 C53 120.1(5) . .
C109 C66 C92 120.1(5) . .
O10 C67 C88 117.2(5) . .
O10 C67 C56 122.2(5) . .
C88 C67 C56 120.7(5) . .
O41 C68 O40 123.5(6) . .
O41 C68 C96 118.9(5) . .
O40 C68 C96 117.6(5) . .
C50 C69 C48 120.2(5) . .
C89 C70 C58 120.0(5) . .
O51 C71 C103 117.9(5) . .
O51 C71 C97 121.8(5) . .
C103 C71 C97 120.3(6) . .
C89 C72 C63 119.2(5) . .
O22 C73 O21 119.6(5) . .
O22 C73 C92 121.0(5) . .
O21 C73 C92 119.3(5) . .
O22 C73 La3 60.9(3) . .
O21 C73 La3 58.8(3) . .
C92 C73 La3 177.2(4) . .
O29 C74 O28 120.2(5) . .
O29 C74 C58 121.4(5) . .
O28 C74 C58 118.4(5) . .
O29 C74 La3 62.4(3) . 1_455
O28 C74 La3 57.9(3) . 1_455
C58 C74 La3 173.0(4) . 1_455
C103 C75 C87 119.8(5) . .
C103 C75 C200 120.0(6) . .
C87 C75 C200 120.2(6) . .
C92 C76 C204 120.3(5) . .
C50 C77 C102 119.6(5) . .
C83 C79 C99 119.9(5) . .
C83 C79 C82 121.7(6) . .
C99 C79 C82 118.3(5) . .
C109 C81 C204 120.0(5) . .
O45 C82 O46 123.6(6) . .
O45 C82 C79 119.2(6) . .
O46 C82 C79 117.1(6) . .
C79 C83 C93 119.6(5) . .
O11 C84 O12 119.6(5) . .
O11 C84 C53 120.4(5) . .
O12 C84 C53 120.0(5) . .
O11 C84 La4 60.4(3) . 1_655
O12 C84 La4 59.4(3) . 1_655
C53 C84 La4 175.8(4) . 1_655
O30 C85 O50 119.3(5) . .
O30 C85 C63 120.2(5) . .
O50 C85 C63 120.5(5) . .
O30 C85 La2 59.1(3) . .
O50 C85 La2 60.4(3) . .
C63 C85 La2 177.4(4) . .
O5 C86 O6 120.1(5) . .
O5 C86 C59 119.5(5) . .
O6 C86 C59 120.3(5) . .
O5 C86 La1 60.6(3) . .
O6 C86 La1 59.6(3) . .
C59 C86 La1 175.4(4) . .
C96 C87 C75 120.1(5) . .
C53 C88 C67 120.1(5) . .
O38 C89 C72 121.0(5) . .
O38 C89 C70 118.9(5) . .
C72 C89 C70 120.2(5) . .
C76 C92 C66 119.3(5) . .
C76 C92 C73 119.6(5) . .
C66 C92 C73 121.1(5) . .
C64 C93 C83 120.5(5) . .
C64 C93 C201 118.3(5) . .
C83 C93 C201 121.1(5) . .
C87 C96 C97 119.5(6) . .
C87 C96 C68 121.7(5) . .
C97 C96 C68 118.7(5) . .
C71 C97 C96 119.8(5) . .
C61 C99 C79 120.2(6) . .
O34 C101 O33 120.1(5) . .
O34 C101 C204 120.8(5) . .
O33 C101 C204 119.0(5) . .
O34 C101 La2 61.4(3) . .
O33 C101 La2 59.6(3) . .
C204 C101 La2 169.3(4) . .
O20 C102 C202 118.4(5) . .
O20 C102 C77 121.6(5) . .
C202 C102 C77 120.0(5) . .
C71 C103 C75 120.4(6) . .
C63 C104 C58 118.8(5) . .
C81 C109 O39 121.3(5) . .
C81 C109 C66 120.4(5) . .
O39 C109 C66 118.3(5) . .
O1 C131 O2 119.3(5) . .
O1 C131 C48 120.4(5) . .
O2 C131 C48 120.3(5) . .
O1 C131 La1 58.9(3) . .
O2 C131 La1 60.8(3) . .
C48 C131 La1 172.6(4) . .
O43 C200 O42 124.5(6) . .
O43 C200 C75 119.5(6) . .
O42 C200 C75 115.9(6) . .
O49 C201 O48 123.8(6) . .
O49 C201 C93 119.5(5) . .
O48 C201 C93 116.7(5) . .
C102 C202 C48 119.9(5) . .
O19 C203 O18 120.0(5) . .
O19 C203 C50 120.8(5) . .
O18 C203 C50 119.1(5) . .
O19 C203 La4 61.2(3) . .
O18 C203 La4 58.9(3) . .
C50 C203 La4 176.9(4) . .
C81 C204 C76 119.8(5) . .
C81 C204 C101 120.6(5) . .
C76 C204 C101 119.5(5) . .
O9 La1 O3 136.59(14) . .
O9 La1 O7 72.92(15) . .
O3 La1 O7 75.74(14) . .
O9 La1 O4 145.46(16) . .
O3 La1 O4 76.14(16) . .
O7 La1 O4 137.92(14) . .
O9 La1 O8 69.52(14) . .
O3 La1 O8 72.39(14) . .
O7 La1 O8 71.14(14) . .
O4 La1 O8 127.38(15) . .
O9 La1 O6 77.54(14) . .
O3 La1 O6 124.24(13) . .
O7 La1 O6 78.49(14) . .
O4 La1 O6 92.38(15) . .
O8 La1 O6 140.24(14) . .
O9 La1 O1 83.81(15) . .
O3 La1 O1 104.11(14) . .
O7 La1 O1 142.01(14) . .
O4 La1 O1 75.51(15) . .
O8 La1 O1 72.74(14) . .
O6 La1 O1 125.78(13) . .
O9 La1 O5 121.63(13) . .
O3 La1 O5 74.87(13) . .
O7 La1 O5 72.63(13) . .
O4 La1 O5 70.20(14) . .
O8 La1 O5 135.80(14) . .
O6 La1 O5 50.36(12) . .
O1 La1 O5 144.93(14) . .
O9 La1 O2 71.81(14) . .
O3 La1 O2 144.15(14) . .
O7 La1 O2 140.08(15) . .
O4 La1 O2 73.72(16) . .
O8 La1 O2 112.25(14) . .
O6 La1 O2 76.22(13) . .
O1 La1 O2 49.57(12) . .
O5 La1 O2 111.72(13) . .
O9 La1 C86 99.42(14) . .
O3 La1 C86 99.39(14) . .
O7 La1 C86 73.15(14) . .
O4 La1 C86 81.33(15) . .
O8 La1 C86 144.29(15) . .
O6 La1 C86 25.23(13) . .
O1 La1 C86 141.64(14) . .
O5 La1 C86 25.17(13) . .
O2 La1 C86 94.82(13) . .
O9 La1 C131 75.05(15) . .
O3 La1 C131 126.20(14) . .
O7 La1 C131 147.23(15) . .
O4 La1 C131 74.72(15) . .
O8 La1 C131 91.36(15) . .
O6 La1 C131 101.24(14) . .
O1 La1 C131 24.56(13) . .
O5 La1 C131 132.28(14) . .
O2 La1 C131 25.12(13) . .
C86 La1 C131 119.34(15) . .
O31 La2 O32 72.93(15) . .
O31 La2 O33 141.78(15) . .
O32 La2 O33 72.58(15) . .
O31 La2 O37 79.23(15) . .
O32 La2 O37 141.16(15) . .
O33 La2 O37 138.99(14) . .
O31 La2 O30 71.62(14) . .
O32 La2 O30 118.24(16) . .
O33 La2 O30 111.84(13) . .
O37 La2 O30 76.11(14) . .
O31 La2 O36 137.43(15) . .
O32 La2 O36 142.26(15) . .
O33 La2 O36 70.69(15) . .
O37 La2 O36 75.73(15) . .
O30 La2 O36 69.29(16) . .
O31 La2 O34 140.76(14) . .
O32 La2 O34 85.69(16) . .
O33 La2 O34 50.71(12) . .
O37 La2 O34 99.98(14) . .
O30 La2 O34 146.91(15) . .
O36 La2 O34 77.86(15) . .
O31 La2 O35 69.75(15) . .
O32 La2 O35 70.52(15) . .
O33 La2 O35 112.74(14) . .
O37 La2 O35 74.77(15) . .
O30 La2 O35 134.97(15) . .
O36 La2 O35 132.99(16) . .
O34 La2 O35 72.24(15) . .
O31 La2 O50 83.43(15) . .
O32 La2 O50 77.41(15) . .
O33 La2 O50 73.44(13) . .
O37 La2 O50 125.97(14) . .
O30 La2 O50 49.85(13) . .
O36 La2 O50 84.14(16) . .
O34 La2 O50 124.15(13) . .
O35 La2 O50 142.83(15) . .
O31 La2 C101 147.20(15) . .
O32 La2 C101 75.68(16) . .
O33 La2 C101 25.55(13) . .
O37 La2 C101 122.32(15) . .
O30 La2 C101 133.74(15) . .
O36 La2 C101 75.05(16) . .
O34 La2 C101 25.38(13) . .
O35 La2 C101 91.05(15) . .
O50 La2 C101 98.90(14) . .
O31 La2 C85 77.17(15) . .
O32 La2 C85 98.63(16) . .
O33 La2 C85 92.20(14) . .
O37 La2 C85 101.01(15) . .
O30 La2 C85 24.91(14) . .
O36 La2 C85 74.57(16) . .
O34 La2 C85 139.71(14) . .
O35 La2 C85 146.89(16) . .
O50 La2 C85 24.97(14) . .
C101 La2 C85 117.19(15) . .
O25 La3 O24 76.48(17) . .
O25 La3 O23 137.85(16) . .
O24 La3 O23 76.46(14) . .
O25 La3 O28 75.95(17) . 1_655
O24 La3 O28 139.72(14) . 1_655
O23 La3 O28 141.70(15) . 1_655
O25 La3 O27 142.99(16) . .
O24 La3 O27 140.42(14) . .
O23 La3 O27 71.35(14) . .
O28 La3 O27 70.65(14) 1_655 .
O25 La3 O26 131.59(14) . .
O24 La3 O26 74.60(15) . .
O23 La3 O26 69.29(14) . .
O28 La3 O26 103.48(15) 1_655 .
O27 La3 O26 72.91(14) . .
O25 La3 O21 82.94(15) . .
O24 La3 O21 126.71(13) . .
O23 La3 O21 88.02(14) . .
O28 La3 O21 77.83(13) 1_655 .
O27 La3 O21 74.96(13) . .
O26 La3 O21 145.17(14) . .
O25 La3 O29 75.00(16) . 1_655
O24 La3 O29 94.51(14) . 1_655
O23 La3 O29 138.82(13) . 1_655
O28 La3 O29 50.05(13) 1_655 1_655
O27 La3 O29 94.78(14) . 1_655
O26 La3 O29 69.57(14) . 1_655
O21 La3 O29 126.65(13) . 1_655
O25 La3 O22 71.98(15) . .
O24 La3 O22 77.56(13) . .
O23 La3 O22 71.04(13) . .
O28 La3 O22 120.01(13) 1_655 .
O27 La3 O22 111.85(14) . .
O26 La3 O22 135.62(14) . .
O21 La3 O22 49.29(12) . .
O29 La3 O22 146.98(14) 1_655 .
O25 La3 C74 75.14(17) . 1_655
O24 La3 C74 118.10(15) . 1_655
O23 La3 C74 146.83(15) . 1_655
O28 La3 C74 25.11(14) 1_655 1_655
O27 La3 C74 81.12(15) . 1_655
O26 La3 C74 85.42(15) . 1_655
O21 La3 C74 102.61(14) . 1_655
O29 La3 C74 25.00(14) 1_655 1_655
O22 La3 C74 138.62(14) . 1_655
O25 La3 C73 75.65(15) . .
O24 La3 C73 102.03(15) . .
O23 La3 C73 79.13(14) . .
O28 La3 C73 98.92(14) 1_655 .
O27 La3 C73 93.99(14) . .
O26 La3 C73 148.21(15) . .
O21 La3 C73 24.72(13) . .
O29 La3 C73 141.66(14) 1_655 .
O22 La3 C73 24.59(13) . .
C74 La3 C73 121.86(15) 1_655 .
O16 La4 O14 73.04(14) . .
O16 La4 O15 75.15(14) . .
O14 La4 O15 72.90(14) . .
O16 La4 O13 137.91(14) . .
O14 La4 O13 73.10(14) . .
O15 La4 O13 71.56(14) . .
O16 La4 O18 125.09(13) . .
O14 La4 O18 145.85(14) . .
O15 La4 O18 83.82(14) . .
O13 La4 O18 76.05(13) . .
O16 La4 O17 71.51(14) . .
O14 La4 O17 123.22(14) . .
O15 La4 O17 134.66(14) . .
O13 La4 O17 149.97(14) . .
O18 La4 O17 90.91(14) . .
O16 La4 O12 141.95(14) . 1_455
O14 La4 O12 108.02(14) . 1_455
O15 La4 O12 142.60(14) . 1_455
O13 La4 O12 73.16(15) . 1_455
O18 La4 O12 76.04(13) . 1_455
O17 La4 O12 77.51(15) . 1_455
O16 La4 O19 75.29(12) . .
O14 La4 O19 137.66(14) . .
O15 La4 O19 72.35(13) . .
O13 La4 O19 116.75(13) . .
O18 La4 O19 49.95(12) . .
O17 La4 O19 70.12(13) . .
O12 La4 O19 114.26(13) 1_455 .
O16 La4 O11 98.60(13) . 1_455
O14 La4 O11 72.40(14) . 1_455
O15 La4 O11 145.04(13) . 1_455
O13 La4 O11 94.28(14) . 1_455
O18 La4 O11 124.65(13) . 1_455
O17 La4 O11 70.82(14) . 1_455
O12 La4 O11 49.48(12) 1_455 1_455
O19 La4 O11 140.34(14) . 1_455
O16 La4 C203 100.19(14) . .
O14 La4 C203 149.41(14) . .
O15 La4 C203 76.53(14) . .
O13 La4 C203 96.39(14) . .
O18 La4 C203 24.96(13) . .
O17 La4 C203 80.06(14) . .
O12 La4 C203 95.60(14) 1_455 .
O19 La4 C203 25.00(13) . .
O11 La4 C203 137.93(14) 1_455 .
O16 La4 C84 121.33(14) . 1_455
O14 La4 C84 89.31(15) . 1_455
O15 La4 C84 151.63(14) . 1_455
O13 La4 C84 82.33(15) . 1_455
O18 La4 C84 100.80(14) . 1_455
O17 La4 C84 73.58(14) . 1_455
O12 La4 C84 25.00(13) 1_455 1_455
O19 La4 C84 131.57(14) . 1_455
O11 La4 C84 24.53(13) 1_455 1_455
C203 La4 C84 118.27(14) . 1_455
C131 O1 La1 96.6(3) . .
C131 O2 La1 94.1(3) . .
C86 O5 La1 94.2(3) . .
C86 O6 La1 95.2(3) . .
C84 O11 La4 95.1(3) . 1_655
C84 O12 La4 95.6(3) . 1_655
C203 O18 La4 96.2(3) . .
C203 O19 La4 93.8(3) . .
C73 O21 La3 96.4(3) . .
C73 O22 La3 94.6(3) . .
C74 O28 La3 97.0(3) . 1_455
C74 O29 La3 92.6(3) . 1_455
C85 O30 La2 96.0(3) . .
C101 O33 La2 94.9(3) . .
C101 O34 La2 93.2(3) . .
C85 O50 La2 94.7(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C48 C202 1.385(8) .
C48 C69 1.387(7) .
C48 C131 1.501(7) .
C50 C69 1.384(7) .
C50 C77 1.403(7) .
C50 C203 1.495(7) .
C53 C88 1.384(7) .
C53 C65 1.394(7) .
C53 C84 1.498(7) .
C56 C59 1.387(7) .
C56 C67 1.388(7) .
C58 C70 1.390(8) .
C58 C104 1.394(7) .
C58 C74 1.499(8) .
C59 C65 1.394(7) .
C59 C86 1.491(7) .
C61 O47 1.375(7) .
C61 C99 1.380(8) .
C61 C64 1.387(8) .
C63 C104 1.376(8) .
C63 C72 1.393(8) .
C63 C85 1.505(7) .
C64 C93 1.386(8) .
C66 C109 1.387(7) .
C66 C92 1.396(7) .
C67 O10 1.383(6) .
C67 C88 1.386(7) .
C68 O41 1.261(7) .
C68 O40 1.262(7) .
C68 C96 1.516(8) .
C70 C89 1.387(8) .
C71 O51 1.373(7) .
C71 C103 1.380(8) .
C71 C97 1.389(8) .
C72 C89 1.382(8) .
C73 O22 1.254(6) .
C73 O21 1.265(7) .
C73 C92 1.499(7) .
C73 La3 3.005(5) .
C74 O29 1.254(7) .
C74 O28 1.267(7) .
C74 La3 2.964(6) 1_455
C75 C103 1.381(9) .
C75 C87 1.400(8) .
C75 C200 1.526(8) .
C76 C92 1.388(8) .
C76 C204 1.395(7) .
C77 C102 1.407(7) .
C79 C83 1.384(8) .
C79 C99 1.385(9) .
C79 C82 1.523(8) .
C81 C109 1.381(8) .
C81 C204 1.387(7) .
C82 O45 1.245(8) .
C82 O46 1.259(8) .
C83 C93 1.397(8) .
C84 O11 1.248(7) .
C84 O12 1.271(6) .
C84 La4 2.993(5) 1_655
C85 O30 1.260(7) .
C85 O50 1.261(7) .
C85 La2 2.976(5) .
C86 O5 1.264(6) .
C86 O6 1.269(6) .
C86 La1 2.964(5) .
C87 C96 1.388(8) .
C89 O38 1.377(6) .
C93 C201 1.516(8) .
C96 C97 1.403(8) .
C101 O34 1.258(7) .
C101 O33 1.268(6) .
C101 C204 1.487(7) .
C101 La2 2.930(5) .
C102 O20 1.364(6) .
C102 C202 1.382(7) .
C109 O39 1.385(6) .
C131 O1 1.253(7) .
C131 O2 1.274(6) .
C131 La1 2.994(5) .
C200 O43 1.238(9) .
C200 O42 1.268(9) .
C201 O49 1.248(7) .
C201 O48 1.265(7) .
C203 O19 1.260(6) .
C203 O18 1.262(6) .
C203 La4 2.975(5) .
La1 O9 2.497(4) .
La1 O3 2.526(4) .
La1 O7 2.526(4) .
La1 O4 2.551(5) .
La1 O8 2.558(4) .
La1 O6 2.568(4) .
La1 O1 2.580(4) .
La1 O5 2.590(4) .
La1 O2 2.621(4) .
La2 O31 2.509(4) .
La2 O32 2.521(5) .
La2 O33 2.536(4) .
La2 O37 2.538(4) .
La2 O30 2.567(4) .
La2 O36 2.569(5) .
La2 O34 2.576(4) .
La2 O35 2.581(4) .
La2 O50 2.595(4) .
La3 O25 2.522(5) .
La3 O24 2.524(4) .
La3 O23 2.527(4) .
La3 O28 2.530(4) 1_655
La3 O27 2.542(4) .
La3 O26 2.551(4) .
La3 O21 2.588(4) .
La3 O29 2.630(4) 1_655
La3 O22 2.633(4) .
La3 C74 2.964(6) 1_655
La4 O16 2.515(4) .
La4 O14 2.516(4) .
La4 O15 2.525(4) .
La4 O13 2.546(4) .
La4 O18 2.561(4) .
La4 O17 2.578(4) .
La4 O12 2.590(4) 1_455
La4 O19 2.612(4) .
La4 O11 2.613(4) 1_455
La4 C84 2.993(5) 1_455
O11 La4 2.613(4) 1_655
O12 La4 2.590(4) 1_655
O28 La3 2.530(4) 1_455
O29 La3 2.630(4) 1_455
