#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:16:36 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180420 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/89/7208988.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_7208988
loop_
_publ_author_name
'Luo, Yun'
'Zheng, Yanjun'
'Calvez, Guillaume'
'Freslon, Stéphane'
'Bernot, Kevin'
'Daiguebonne, Carole'
'Roisnel, Thierry'
'Guillou, Olivier'
_publ_section_title
;
 Synthesis, crystal structure and luminescent properties of new
 lanthanide-containing coordination polymers involving
 4,4′-oxy-bis-benzoate as ligand
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              706
_journal_paper_doi               10.1039/c2ce26390d
_journal_volume                  15
_journal_year                    2013
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C42 H36 La2 O21'
_chemical_formula_sum            'C42 H36 La2 O21'
_chemical_formula_weight         1154.53
_chemical_name_systematic
;
?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2012-10-08T09:53:43-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 102.03(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.662(4)
_cell_length_b                   6.0657(10)
_cell_length_c                   29.414(6)
_cell_measurement_reflns_used    30219
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_measurement_wavelength     0.71073
_cell_volume                     4129.0(17)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material
;
WinGX publication routines (Farrugia, 1999),
CRYSCAL (T. Roisnel, local program)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'KappaCCD, Nonius'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0595
_diffrn_reflns_av_unetI/netI     0.0532
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            36748
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.01
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    2.130
_exptl_absorpt_correction_T_max  0.880
_exptl_absorpt_correction_T_min  0.817
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
'P. Coppens in Crystallographic Computing ed F.R. Ahmed, S.R. Hall and C.P. Huber,
Copenhagen, Munksgaard, (1970) pp 255-270'
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.857
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2280
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.502
_refine_diff_density_min         -1.05
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       0.00050(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     587
_refine_ls_number_reflns         9422
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0353
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0472P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.0886
_reflns_number_gt                7466
_reflns_number_total             9422
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26390d.txt
_cod_data_source_block           C1-YZ1
_cod_original_cell_volume        4129.0(13)
_cod_database_code               7208988
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, 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
La1 La -0.110528(8) 0.39328(3) -0.016888(7) 0.01923(7) Uani 1 1 d .
La2 La 0.173933(8) 0.48603(3) 0.520291(8) 0.01970(7) Uani 1 1 d .
O35 O 0.22730(11) 0.3441(4) 0.46550(10) 0.0316(6) Uani 1 1 d .
O101 O -0.15251(11) 0.7242(4) 0.02012(10) 0.0297(6) Uani 1 1 d .
O203 O 0.09284(11) 0.4351(4) 0.56467(11) 0.0356(7) Uani 1 1 d .
O15 O 0.09838(12) 0.6543(4) 0.46105(11) 0.0368(7) Uani 1 1 d .
O51 O 0.16188(12) 0.8053(4) 0.56722(10) 0.0361(7) Uani 1 1 d .
O12 O 0.04776(10) 0.7199(4) 0.07120(10) 0.0284(6) Uani 1 1 d .
O202 O 0.21895(11) 0.8259(4) 0.48773(10) 0.0343(7) Uani 1 1 d .
O32 O 0.14781(11) -0.0307(4) 0.05089(9) 0.0250(6) Uani 1 1 d .
O34 O 0.29003(12) 0.5261(4) 0.43273(10) 0.0332(7) Uani 1 1 d .
O55 O 0.16138(11) 0.7447(4) 0.95739(9) 0.0287(6) Uani 1 1 d .
C51 C 0.17842(15) 0.9914(5) 0.58305(14) 0.0232(8) Uani 1 1 d .
O31 O 0.09750(11) 0.2681(4) 0.06111(10) 0.0342(7) Uani 1 1 d .
O11 O -0.03391(12) 0.5483(5) 0.04183(10) 0.0369(7) Uani 1 1 d .
O33 O 0.16259(14) -0.0992(4) 0.26805(10) 0.0435(8) Uani 1 1 d .
O201 O 0.10680(11) 0.1732(4) 0.47896(11) 0.0400(7) Uani 1 1 d .
O52 O 0.20079(11) 1.1323(4) 0.56013(10) 0.0278(6) Uani 1 1 d .
O53 O 0.15527(14) 1.2167(4) 0.76443(10) 0.0424(7) Uani 1 1 d .
O14 O 0.01049(11) 0.7976(4) 0.44921(10) 0.0332(6) Uani 1 1 d .
OW1 O -0.01407(12) 0.2336(4) 0.45656(11) 0.0400(7) Uani 1 1 d .
C24 C -0.0207(2) 0.6193(9) 0.30849(18) 0.0554(14) Uani 1 1 d .
H24 H -0.0504 0.6815 0.2865 0.067 Uiso 1 1 calc R
C31 C 0.12797(15) 0.1018(5) 0.07721(13) 0.0216(8) Uani 1 1 d .
O54 O 0.22622(11) 0.5371(4) 0.93197(9) 0.0275(6) Uani 1 1 d .
C61 C 0.17958(14) 0.8239(5) 0.88287(13) 0.0213(7) Uani 1 1 d .
C11 C 0.00364(15) 0.6133(5) 0.07605(13) 0.0227(8) Uani 1 1 d .
C12 C -0.00407(15) 0.5598(6) 0.12402(14) 0.0243(8) Uani 1 1 d .
O102 O -0.04417(13) 0.0767(5) 0.02777(12) 0.0462(8) Uani 1 1 d .
C33 C 0.16974(17) -0.1271(6) 0.14654(14) 0.0290(9) Uani 1 1 d .
H33 H 0.1842 -0.2231 0.1271 0.035 Uiso 1 1 calc R
C42 C 0.24905(15) 0.3898(5) 0.43085(14) 0.0244(8) Uani 1 1 d .
O13 O -0.00807(16) 0.3307(5) 0.25561(11) 0.0558(9) Uani 1 1 d .
C59 C 0.19284(18) 0.8760(6) 0.80424(15) 0.0347(10) Uani 1 1 d .
H59 H 0.2073 0.8262 0.779 0.042 Uiso 1 1 calc R
C41 C 0.22483(15) 0.2733(6) 0.38647(13) 0.0239(8) Uani 1 1 d .
C15 C -0.00804(18) 0.4266(7) 0.21336(15) 0.0340(9) Uani 1 1 d .
C13 C 0.02473(16) 0.6791(6) 0.16223(15) 0.0320(9) Uani 1 1 d .
H13 H 0.0456 0.8039 0.1576 0.038 Uiso 1 1 calc R
C38 C 0.18171(17) 0.0389(6) 0.30520(14) 0.0290(9) Uani 1 1 d .
C35 C 0.15726(18) -0.0295(6) 0.22232(14) 0.0304(9) Uani 1 1 d .
C34 C 0.17821(17) -0.1720(6) 0.19335(15) 0.0330(9) Uani 1 1 d .
H34 H 0.1981 -0.2984 0.2054 0.04 Uiso 1 1 calc R
C17 C -0.03647(16) 0.3767(6) 0.13168(15) 0.0316(9) Uani 1 1 d .
H17 H -0.0575 0.299 0.1065 0.038 Uiso 1 1 calc R
C43 C 0.19280(17) 0.0797(6) 0.38737(14) 0.0290(9) Uani 1 1 d .
H43 H 0.1853 0.0297 0.4154 0.035 Uiso 1 1 calc R
C21 C 0.03798(16) 0.6172(6) 0.38614(15) 0.0289(9) Uani 1 1 d .
C18 C 0.0097(2) 0.4417(7) 0.29722(16) 0.0399(10) Uani 1 1 d .
C22 C 0.04956(15) 0.6941(6) 0.43508(14) 0.0254(8) Uani 1 1 d .
C62 C 0.18963(14) 0.6937(5) 0.92666(13) 0.0213(7) Uani 1 1 d .
C63 C 0.14912(16) 1.0237(5) 0.87967(14) 0.0260(8) Uani 1 1 d .
H63 H 0.1341 1.0727 0.9047 0.031 Uiso 1 1 calc R
C40 C 0.23318(16) 0.3481(6) 0.34407(14) 0.0302(9) Uani 1 1 d .
H40 H 0.254 0.4774 0.3429 0.036 Uiso 1 1 calc R
C57 C 0.14294(17) 0.9050(6) 0.65567(15) 0.0303(9) Uani 1 1 d .
H57 H 0.1275 0.7742 0.6419 0.036 Uiso 1 1 calc R
C60 C 0.20089(16) 0.7536(6) 0.84519(14) 0.0293(9) Uani 1 1 d .
H60 H 0.2211 0.6214 0.8471 0.035 Uiso 1 1 calc R
C32 C 0.13977(15) 0.0601(5) 0.12806(13) 0.0222(8) Uani 1 1 d .
C20 C 0.0695(2) 0.4435(8) 0.37276(17) 0.0445(11) Uani 1 1 d .
H20 H 0.1009 0.3859 0.3938 0.053 Uiso 1 1 calc R
C58 C 0.16265(17) 1.0748(6) 0.80192(14) 0.0284(8) Uani 1 1 d .
C53 C 0.19453(17) 1.2417(6) 0.65222(15) 0.0320(9) Uani 1 1 d .
H53 H 0.2137 1.3388 0.6362 0.038 Uiso 1 1 calc R
C54 C 0.18925(18) 1.2922(6) 0.69672(15) 0.0347(10) Uani 1 1 d .
H54 H 0.2044 1.4235 0.7104 0.042 Uiso 1 1 calc R
C52 C 0.17155(16) 1.0470(5) 0.63083(14) 0.0245(8) Uani 1 1 d .
C44 C 0.17231(18) -0.0372(6) 0.34734(15) 0.0336(10) Uani 1 1 d .
H44 H 0.1521 -0.1678 0.3486 0.04 Uiso 1 1 calc R
C56 C 0.13714(19) 0.9544(6) 0.70005(16) 0.0351(10) Uani 1 1 d .
H56 H 0.1172 0.8596 0.716 0.042 Uiso 1 1 calc R
C16 C -0.03762(18) 0.3104(7) 0.17584(15) 0.0379(10) Uani 1 1 d .
H16 H -0.0586 0.1858 0.1805 0.045 Uiso 1 1 calc R
C37 C 0.11970(16) 0.2027(6) 0.15797(14) 0.0284(8) Uani 1 1 d .
H37 H 0.1 0.3298 0.1462 0.034 Uiso 1 1 calc R
C36 C 0.12847(17) 0.1591(6) 0.20507(15) 0.0343(9) Uani 1 1 d .
H36 H 0.115 0.2564 0.2248 0.041 Uiso 1 1 calc R
C64 C 0.14133(17) 1.1476(6) 0.83950(14) 0.0290(9) Uani 1 1 d .
H64 H 0.1216 1.2809 0.8377 0.035 Uiso 1 1 calc R
C39 C 0.21134(17) 0.2353(6) 0.30315(15) 0.0338(9) Uani 1 1 d .
H39 H 0.2164 0.2903 0.2748 0.041 Uiso 1 1 calc R
C14 C 0.02287(18) 0.6155(7) 0.20706(16) 0.0380(10) Uani 1 1 d .
H14 H 0.0419 0.6971 0.2325 0.046 Uiso 1 1 calc R
C23 C -0.00649(19) 0.7034(8) 0.35265(16) 0.0470(12) Uani 1 1 d .
H23 H -0.0274 0.8224 0.3604 0.056 Uiso 1 1 calc R
C55 C 0.16154(17) 1.1481(6) 0.72101(14) 0.0315(9) Uani 1 1 d .
C19 C 0.0548(2) 0.3570(8) 0.32889(17) 0.0522(13) Uani 1 1 d .
H19 H 0.0757 0.2393 0.3206 0.063 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 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
O11 La1 O55 91.67(9) . 3_566
O11 La1 O31 84.03(10) . 3_565
O55 La1 O31 141.61(8) 3_566 3_565
O11 La1 O12 96.12(9) . 3_565
O55 La1 O12 143.56(8) 3_566 3_565
O31 La1 O12 74.74(8) 3_565 3_565
O11 La1 O32 141.02(9) . 3
O55 La1 O32 78.57(8) 3_566 3
O31 La1 O32 126.15(9) 3_565 3
O12 La1 O32 73.08(8) 3_565 3
O11 La1 O34 143.43(9) . 4_565
O55 La1 O34 87.13(9) 3_566 4_565
O31 La1 O34 74.80(9) 3_565 4_565
O12 La1 O34 106.32(9) 3_565 4_565
O32 La1 O34 74.37(8) 3 4_565
O11 La1 O101 72.14(9) . .
O55 La1 O101 71.16(8) 3_566 .
O31 La1 O101 71.23(8) 3_565 .
O12 La1 O101 144.88(8) 3_565 .
O32 La1 O101 135.96(8) 3 .
O34 La1 O101 72.93(8) 4_565 .
O11 La1 O102 69.46(10) . .
O55 La1 O102 74.26(9) 3_566 .
O31 La1 O102 137.17(9) 3_565 .
O12 La1 O102 75.37(9) 3_565 .
O32 La1 O102 71.57(9) 3 .
O34 La1 O102 143.69(9) 4_565 .
O101 La1 O102 126.55(10) . .
O35 La2 O51 143.76(9) . .
O35 La2 O15 94.58(10) . .
O51 La2 O15 85.25(10) . .
O35 La2 O52 83.55(9) . 1_545
O51 La2 O52 118.24(9) . 1_545
O15 La2 O52 141.30(9) . 1_545
O35 La2 O54 81.62(9) . 2_556
O51 La2 O54 77.97(9) . 2_556
O15 La2 O54 144.36(9) . 2_556
O52 La2 O54 73.81(8) 1_545 2_556
O35 La2 O203 148.72(9) . .
O51 La2 O203 67.43(9) . .
O15 La2 O203 84.21(9) . .
O52 La2 O203 78.37(8) 1_545 .
O54 La2 O203 116.74(9) 2_556 .
O35 La2 O202 73.95(9) . .
O51 La2 O202 71.46(9) . .
O15 La2 O202 72.57(9) . .
O52 La2 O202 141.52(8) 1_545 .
O54 La2 O202 72.34(8) 2_556 .
O203 La2 O202 134.01(8) . .
O35 La2 O201 77.35(9) . .
O51 La2 O201 135.47(9) . .
O15 La2 O201 71.80(9) . .
O52 La2 O201 70.09(9) 1_545 .
O54 La2 O201 139.78(8) 2_556 .
O203 La2 O201 72.59(9) . .
O202 La2 O201 131.58(10) . .
C42 O35 La2 145.2(2) . .
C22 O15 La2 161.4(3) . .
C51 O51 La2 149.9(2) . .
C11 O12 La1 123.3(2) . 3_565
C31 O32 La1 131.0(2) . 3
C42 O34 La1 139.0(2) . 4_666
C62 O55 La1 146.0(2) . 3_566
O51 C51 O52 122.8(4) . .
O51 C51 C52 117.9(3) . .
O52 C51 C52 119.3(3) . .
C31 O31 La1 136.7(2) . 3_565
C11 O11 La1 172.6(3) . .
C38 O33 C35 122.1(3) . .
C51 O52 La2 138.0(2) . 1_565
C58 O53 C55 122.1(3) . .
C18 C24 C23 118.9(4) . .
C18 C24 H24 120.5 . .
C23 C24 H24 120.5 . .
O32 C31 O31 121.8(4) . .
O32 C31 C32 119.3(3) . .
O31 C31 C32 118.9(3) . .
C62 O54 La2 134.4(2) . 2_556
C60 C61 C63 118.8(3) . .
C60 C61 C62 120.9(3) . .
C63 C61 C62 120.3(3) . .
O11 C11 O12 122.2(4) . .
O11 C11 C12 118.8(3) . .
O12 C11 C12 119.0(3) . .
C17 C12 C13 118.5(4) . .
C17 C12 C11 120.3(3) . .
C13 C12 C11 121.0(3) . .
C34 C33 C32 120.6(4) . .
C34 C33 H33 119.7 . .
C32 C33 H33 119.7 . .
O35 C42 O34 123.0(4) . .
O35 C42 C41 117.1(3) . .
O34 C42 C41 119.9(3) . .
C15 O13 C18 122.5(3) . .
C60 C59 C58 118.6(4) . .
C60 C59 H59 120.7 . .
C58 C59 H59 120.7 . .
C40 C41 C43 118.2(4) . .
C40 C41 C42 122.3(3) . .
C43 C41 C42 119.5(3) . .
O13 C15 C16 114.5(4) . .
O13 C15 C14 124.7(4) . .
C16 C15 C14 120.6(4) . .
C14 C13 C12 121.2(4) . .
C14 C13 H13 119.4 . .
C12 C13 H13 119.4 . .
O33 C38 C44 114.9(3) . .
O33 C38 C39 124.9(4) . .
C44 C38 C39 120.1(4) . .
C36 C35 C34 120.6(4) . .
C36 C35 O33 123.3(4) . .
C34 C35 O33 115.9(4) . .
C35 C34 C33 119.9(4) . .
C35 C34 H34 120 . .
C33 C34 H34 120 . .
C16 C17 C12 120.6(4) . .
C16 C17 H17 119.7 . .
C12 C17 H17 119.7 . .
C44 C43 C41 120.8(4) . .
C44 C43 H43 119.6 . .
C41 C43 H43 119.6 . .
C23 C21 C20 117.1(4) . .
C23 C21 C22 122.1(3) . .
C20 C21 C22 120.7(4) . .
C19 C18 C24 120.4(4) . .
C19 C18 O13 118.1(4) . .
C24 C18 O13 121.2(4) . .
O14 C22 O15 122.4(4) . .
O14 C22 C21 118.5(3) . .
O15 C22 C21 119.1(3) . .
O55 C62 O54 122.7(3) . .
O55 C62 C61 118.3(3) . .
O54 C62 C61 119.0(3) . .
C64 C63 C61 120.2(4) . .
C64 C63 H63 119.9 . .
C61 C63 H63 119.9 . .
C41 C40 C39 121.6(3) . .
C41 C40 H40 119.2 . .
C39 C40 H40 119.2 . .
C56 C57 C52 121.3(4) . .
C56 C57 H57 119.4 . .
C52 C57 H57 119.4 . .
C61 C60 C59 121.6(3) . .
C61 C60 H60 119.2 . .
C59 C60 H60 119.2 . .
C33 C32 C37 118.5(4) . .
C33 C32 C31 120.5(3) . .
C37 C32 C31 121.0(3) . .
C19 C20 C21 120.7(4) . .
C19 C20 H20 119.7 . .
C21 C20 H20 119.7 . .
O53 C58 C64 115.7(3) . .
O53 C58 C59 123.8(4) . .
C64 C58 C59 120.4(4) . .
C54 C53 C52 120.9(4) . .
C54 C53 H53 119.5 . .
C52 C53 H53 119.5 . .
C53 C54 C55 120.0(4) . .
C53 C54 H54 120 . .
C55 C54 H54 120 . .
C57 C52 C53 118.3(4) . .
C57 C52 C51 121.1(3) . .
C53 C52 C51 120.6(3) . .
C43 C44 C38 120.1(4) . .
C43 C44 H44 119.9 . .
C38 C44 H44 119.9 . .
C57 C56 C55 119.3(4) . .
C57 C56 H56 120.3 . .
C55 C56 H56 120.3 . .
C17 C16 C15 120.4(4) . .
C17 C16 H16 119.8 . .
C15 C16 H16 119.8 . .
C32 C37 C36 121.1(3) . .
C32 C37 H37 119.4 . .
C36 C37 H37 119.4 . .
C35 C36 C37 119.3(4) . .
C35 C36 H36 120.4 . .
C37 C36 H36 120.4 . .
C58 C64 C63 120.4(3) . .
C58 C64 H64 119.8 . .
C63 C64 H64 119.8 . .
C38 C39 C40 119.0(4) . .
C38 C39 H39 120.5 . .
C40 C39 H39 120.5 . .
C13 C14 C15 118.6(4) . .
C13 C14 H14 120.7 . .
C15 C14 H14 120.7 . .
C24 C23 C21 122.2(4) . .
C24 C23 H23 118.9 . .
C21 C23 H23 118.9 . .
C54 C55 O53 116.3(4) . .
C54 C55 C56 120.2(4) . .
O53 C55 C56 123.3(4) . .
C18 C19 C20 120.6(4) . .
C18 C19 H19 119.7 . .
C20 C19 H19 119.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O11 2.418(3) .
La1 O55 2.468(2) 3_566
La1 O31 2.484(2) 3_565
La1 O12 2.494(3) 3_565
La1 O32 2.499(2) 3
La1 O34 2.553(3) 4_565
La1 O101 2.579(2) .
La1 O102 2.649(3) .
La2 O35 2.404(3) .
La2 O51 2.429(3) .
La2 O15 2.445(3) .
La2 O52 2.464(2) 1_545
La2 O54 2.503(3) 2_556
La2 O203 2.555(3) .
La2 O202 2.594(3) .
La2 O201 2.607(3) .
O35 C42 1.265(4) .
O15 C22 1.268(4) .
O51 C51 1.253(4) .
O12 C11 1.261(4) .
O12 La1 2.494(3) 3_565
O32 C31 1.272(4) .
O32 La1 2.499(2) 3
O34 C42 1.267(4) .
O34 La1 2.553(3) 4_666
O55 C62 1.269(4) .
O55 La1 2.467(2) 3_566
C51 O52 1.270(4) .
C51 C52 1.487(5) .
O31 C31 1.273(4) .
O31 La1 2.484(2) 3_565
O11 C11 1.259(5) .
O33 C38 1.376(5) .
O33 C35 1.391(5) .
O52 La2 2.464(2) 1_565
O53 C58 1.381(5) .
O53 C55 1.381(5) .
O14 C22 1.258(4) .
C24 C18 1.373(7) .
C24 C23 1.371(7) .
C24 H24 0.93 .
C31 C32 1.485(5) .
O54 C62 1.273(4) .
O54 La2 2.503(3) 2_556
C61 C60 1.377(5) .
C61 C63 1.403(5) .
C61 C62 1.487(5) .
C11 C12 1.495(5) .
C12 C17 1.395(5) .
C12 C13 1.390(5) .
C33 C34 1.376(6) .
C33 C32 1.388(5) .
C33 H33 0.93 .
C42 C41 1.490(5) .
O13 C15 1.372(5) .
O13 C18 1.383(5) .
C59 C60 1.394(5) .
C59 C58 1.396(5) .
C59 H59 0.93 .
C41 C40 1.380(5) .
C41 C43 1.401(5) .
C15 C16 1.372(6) .
C15 C14 1.392(6) .
C13 C14 1.383(6) .
C13 H13 0.93 .
C38 C44 1.383(6) .
C38 C39 1.390(5) .
C35 C36 1.373(6) .
C35 C34 1.377(6) .
C34 H34 0.93 .
C17 C16 1.365(6) .
C17 H17 0.93 .
C43 C44 1.373(6) .
C43 H43 0.93 .
C21 C23 1.385(6) .
C21 C20 1.394(5) .
C21 C22 1.483(6) .
C18 C19 1.363(7) .
C63 C64 1.380(5) .
C63 H63 0.93 .
C40 C39 1.387(6) .
C40 H40 0.93 .
C57 C56 1.374(6) .
C57 C52 1.393(5) .
C57 H57 0.93 .
C60 H60 0.93 .
C32 C37 1.386(5) .
C20 C19 1.369(6) .
C20 H20 0.93 .
C58 C64 1.380(5) .
C53 C54 1.375(6) .
C53 C52 1.394(5) .
C53 H53 0.93 .
C54 C55 1.378(5) .
C54 H54 0.93 .
C44 H44 0.93 .
C56 C55 1.395(6) .
C56 H56 0.93 .
C16 H16 0.93 .
C37 C36 1.383(6) .
C37 H37 0.93 .
C36 H36 0.93 .
C64 H64 0.93 .
C39 H39 0.93 .
C14 H14 0.93 .
C23 H23 0.93 .
C19 H19 0.93 .
