#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/07/32/4073294.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_4073294
loop_
_publ_author_name
'Evans, William J.'
'Rego, Daniel B.'
'Ziller, Joseph W.'
'DiPasquale, Antonio G.'
'Rheingold, Arnold L.'
_publ_section_title
;
 Facile Insertion of CO2into Tetra- and Pentamethylcyclopentadienyl
 Lanthanide Moieties To Form (C5Me4RCO2)-Carboxylate Ligands (R = H, Me)
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              4737
_journal_paper_doi               10.1021/om070223z
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C71 H104 La2 O8'
_chemical_formula_weight         1363.36
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL
_cell_angle_alpha                68.495(2)
_cell_angle_beta                 74.493(2)
_cell_angle_gamma                77.091(2)
_cell_formula_units_Z            1
_cell_length_a                   12.0519(15)
_cell_length_b                   12.3970(16)
_cell_length_c                   12.8787(16)
_cell_measurement_temperature    163(2)
_cell_volume                     1708.1(4)
_computing_cell_refinement       'Bruker SMART/SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      163(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0220
_diffrn_reflns_av_sigmaI/netI    0.0234
_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       -16
_diffrn_reflns_number            21655
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         1.74
_diffrn_standards_decay_%        '< 1.0'
_diffrn_standards_interval_count 'initial 50 frames recollected'
_diffrn_standards_number         '50 frames'
_exptl_absorpt_coefficient_mu    1.285
_exptl_absorpt_correction_T_max  0.7924
_exptl_absorpt_correction_T_min  0.6410
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             708
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.611
_refine_diff_density_min         -0.357
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     570
_refine_ls_number_reflns         8065
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0200
_refine_ls_R_factor_gt           0.0185
_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)+(0.0222P)²+0.6809P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0459
_refine_ls_wR_factor_ref         0.0467
_reflns_number_gt                7693
_reflns_number_total             8065
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om070223z-file002.cif
_cod_data_source_block           dbr45
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'n/a' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value 'difmap & geom' was changed to
'mixed'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4073294
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
La1 La 0.458325(6) 0.379321(6) 0.461663(6) 0.01248(3) Uani 1 1 d .
O1 O 0.59573(10) 0.48549(10) 0.30250(9) 0.0236(2) Uani 1 1 d .
O2 O 0.64949(10) 0.61928(10) 0.34948(9) 0.0237(2) Uani 1 1 d .
O3 O 0.30232(11) 0.52598(10) 0.38231(12) 0.0318(3) Uani 1 1 d .
O4 O 0.38657(9) 0.62408(9) 0.44413(9) 0.0197(2) Uani 1 1 d .
C1 C 0.35471(13) 0.26177(13) 0.36957(13) 0.0190(3) Uani 1 1 d .
C2 C 0.47584(13) 0.24055(13) 0.32637(13) 0.0194(3) Uani 1 1 d .
C3 C 0.52972(13) 0.17176(13) 0.41920(14) 0.0196(3) Uani 1 1 d .
C4 C 0.44230(14) 0.14896(13) 0.52038(14) 0.0203(3) Uani 1 1 d .
C5 C 0.33368(13) 0.20530(13) 0.48936(13) 0.0197(3) Uani 1 1 d .
C6 C 0.26406(16) 0.32804(16) 0.29979(17) 0.0272(4) Uani 1 1 d .
C7 C 0.53652(17) 0.28028(18) 0.20319(16) 0.0297(4) Uani 1 1 d .
C8 C 0.65776(16) 0.12982(17) 0.41133(19) 0.0296(4) Uani 1 1 d .
C9 C 0.46390(19) 0.08299(16) 0.63906(16) 0.0298(4) Uani 1 1 d .
C10 C 0.21664(16) 0.20674(18) 0.56828(17) 0.0301(4) Uani 1 1 d .
C11 C 0.75416(13) 0.58630(13) 0.17506(12) 0.0182(3) Uani 1 1 d .
C12 C 0.73845(14) 0.53571(14) 0.09008(12) 0.0203(3) Uani 1 1 d .
C13 C 0.82555(14) 0.44888(14) 0.07987(13) 0.0219(3) Uani 1 1 d .
C14 C 0.90416(13) 0.43417(14) 0.15595(13) 0.0214(3) Uani 1 1 d .
C15 C 0.86612(13) 0.51321(14) 0.21107(13) 0.0204(3) Uani 1 1 d .
C16 C 0.65840(13) 0.56225(13) 0.28349(13) 0.0183(3) Uani 1 1 d .
C17 C 0.76364(17) 0.71775(15) 0.12263(16) 0.0286(4) Uani 1 1 d .
C18 C 0.63810(16) 0.57971(18) 0.03127(15) 0.0295(4) Uani 1 1 d .
C19 C 0.84592(19) 0.3771(2) 0.00335(19) 0.0347(4) Uani 1 1 d .
C20 C 1.01003(16) 0.34310(18) 0.16549(17) 0.0313(4) Uani 1 1 d .
C21 C 0.92044(16) 0.53571(18) 0.29146(17) 0.0297(4) Uani 1 1 d .
C22 C 0.23595(13) 0.73204(13) 0.33517(13) 0.0193(3) Uani 1 1 d .
C23 C 0.18511(13) 0.81186(13) 0.40664(14) 0.0203(3) Uani 1 1 d .
C24 C 0.21436(14) 0.91915(14) 0.34624(15) 0.0241(3) Uani 1 1 d .
C25 C 0.29248(15) 0.91736(15) 0.23707(15) 0.0266(3) Uani 1 1 d .
C26 C 0.30905(14) 0.80931(15) 0.22984(14) 0.0251(3) Uani 1 1 d .
C27 C 0.31252(13) 0.62010(13) 0.39177(13) 0.0186(3) Uani 1 1 d .
C28 C 0.13674(17) 0.70012(16) 0.30216(18) 0.0304(4) Uani 1 1 d .
C29 C 0.11089(16) 0.76972(18) 0.52250(16) 0.0312(4) Uani 1 1 d .
C30 C 0.1755(2) 1.02880(17) 0.3782(2) 0.0385(5) Uani 1 1 d .
C31 C 0.3417(2) 1.0239(2) 0.1506(2) 0.0441(5) Uani 1 1 d .
C32 C 0.3816(2) 0.7634(2) 0.13723(19) 0.0458(5) Uani 1 1 d .
C33 C 0.1248(4) 0.9751(3) -0.0056(3) 0.0792(12) Uani 1 1 d .
C34 C 0.0464(3) 1.0263(3) 0.0804(3) 0.0768(11) Uani 1 1 d .
C35 C -0.0751(3) 0.9932(2) 0.1120(3) 0.0776(11) Uani 1 1 d .
C36 C -0.1384(5) 1.0405(4) 0.1842(4) 0.0513(12) Uani 0.50 1 d P
H36A H -0.2170 1.0194 0.2049 0.077 Uiso 0.50 1 calc PR
H36B H -0.1421 1.1258 0.1509 0.077 Uiso 0.50 1 calc PR
H36C H -0.1050 1.0129 0.2526 0.077 Uiso 0.50 1 calc PR
H6A H 0.257(2) 0.288(2) 0.251(2) 0.044(6) Uiso 1 1 d .
H6B H 0.192(3) 0.340(2) 0.345(2) 0.065(8) Uiso 1 1 d .
H6C H 0.283(2) 0.405(2) 0.249(2) 0.058(8) Uiso 1 1 d .
H7A H 0.607(2) 0.303(2) 0.196(2) 0.057(8) Uiso 1 1 d .
H7B H 0.491(2) 0.347(2) 0.158(2) 0.056(7) Uiso 1 1 d .
H7C H 0.555(2) 0.220(3) 0.169(2) 0.063(8) Uiso 1 1 d .
H8A H 0.704(2) 0.173(2) 0.341(2) 0.056(8) Uiso 1 1 d .
H8B H 0.690(2) 0.143(2) 0.466(2) 0.051(7) Uiso 1 1 d .
H8C H 0.676(2) 0.050(3) 0.424(2) 0.066(8) Uiso 1 1 d .
H9A H 0.395(3) 0.076(2) 0.698(2) 0.058(8) Uiso 1 1 d .
H9B H 0.506(2) 0.119(2) 0.667(2) 0.053(7) Uiso 1 1 d .
H9C H 0.494(2) 0.005(3) 0.655(2) 0.067(8) Uiso 1 1 d .
H10A H 0.171(2) 0.151(2) 0.570(2) 0.042(6) Uiso 1 1 d .
H10B H 0.219(2) 0.196(2) 0.638(2) 0.058(8) Uiso 1 1 d .
H10C H 0.169(2) 0.284(2) 0.547(2) 0.047(7) Uiso 1 1 d .
H17A H 0.7753(18) 0.7459(19) 0.1753(19) 0.033(6) Uiso 1 1 d .
H17B H 0.692(2) 0.761(2) 0.099(2) 0.043(6) Uiso 1 1 d .
H17C H 0.827(2) 0.731(2) 0.059(2) 0.043(6) Uiso 1 1 d .
H18A H 0.6326(19) 0.659(2) -0.0088(19) 0.037(6) Uiso 1 1 d .
H18B H 0.6418(18) 0.5409(19) -0.0199(19) 0.032(5) Uiso 1 1 d .
H18C H 0.564(2) 0.565(2) 0.087(2) 0.042(6) Uiso 1 1 d .
H19A H 0.789(2) 0.397(2) -0.042(2) 0.058(8) Uiso 1 1 d .
H19B H 0.832(3) 0.306(3) 0.044(3) 0.079(10) Uiso 1 1 d .
H19C H 0.922(3) 0.371(2) -0.038(2) 0.059(8) Uiso 1 1 d .
H20A H 1.047(2) 0.338(2) 0.224(2) 0.042(6) Uiso 1 1 d .
H20B H 1.066(2) 0.354(2) 0.090(2) 0.049(7) Uiso 1 1 d .
H20C H 0.994(2) 0.264(3) 0.183(2) 0.066(8) Uiso 1 1 d .
H21A H 0.992(2) 0.485(2) 0.3022(19) 0.039(6) Uiso 1 1 d .
H21B H 0.8714(19) 0.5244(19) 0.3646(19) 0.035(6) Uiso 1 1 d .
H21C H 0.935(2) 0.616(2) 0.264(2) 0.045(6) Uiso 1 1 d .
H28A H 0.170(2) 0.657(2) 0.250(2) 0.045(7) Uiso 1 1 d .
H28B H 0.0888(19) 0.652(2) 0.3709(19) 0.036(6) Uiso 1 1 d .
H28C H 0.090(2) 0.771(2) 0.264(2) 0.042(6) Uiso 1 1 d .
H29A H 0.1521(18) 0.7083(19) 0.5749(18) 0.032(5) Uiso 1 1 d .
H29B H 0.081(2) 0.829(2) 0.553(2) 0.048(7) Uiso 1 1 d .
H29C H 0.046(2) 0.738(2) 0.520(2) 0.046(7) Uiso 1 1 d .
H30A H 0.240(2) 1.065(2) 0.377(2) 0.055(7) Uiso 1 1 d .
H30B H 0.133(2) 1.082(2) 0.329(2) 0.058(8) Uiso 1 1 d .
H30C H 0.123(2) 1.011(2) 0.455(2) 0.054(7) Uiso 1 1 d .
H31A H 0.382(2) 1.059(2) 0.184(2) 0.060(8) Uiso 1 1 d .
H31B H 0.281(2) 1.086(2) 0.128(2) 0.059(8) Uiso 1 1 d .
H31C H 0.385(3) 1.010(3) 0.083(3) 0.071(9) Uiso 1 1 d .
H32A H 0.424(3) 0.819(3) 0.078(3) 0.093(11) Uiso 1 1 d .
H32B H 0.448(3) 0.702(3) 0.163(3) 0.076(9) Uiso 1 1 d .
H32C H 0.338(3) 0.726(3) 0.109(3) 0.094(12) Uiso 1 1 d .
H33A H 0.139(2) 0.893(3) 0.023(2) 0.062(8) Uiso 1 1 d .
H33B H 0.199(3) 0.998(3) -0.026(3) 0.073(9) Uiso 1 1 d .
H34A H 0.043(2) 1.105(3) 0.052(3) 0.078(10) Uiso 1 1 d .
H34B H 0.075(3) 0.999(3) 0.154(3) 0.075(9) Uiso 1 1 d .
H35A H -0.074(3) 0.914(3) 0.148(3) 0.070(9) 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'
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
Cnt La1 O1 109.4 . .
Cnt La1 O2 110.0 . 2_666
Cnt La1 O3 100.8 . .
Cnt La1 O4 123.4 . 2_666
O1 La1 O2 140.37(4) . 2_666
O1 La1 O3 87.95(4) . .
O2 La1 O3 88.07(4) 2_666 .
O1 La1 O4 78.26(4) . 2_666
O2 La1 O4 77.48(4) 2_666 2_666
O3 La1 O4 135.83(4) . 2_666
O1 La1 C4 125.29(5) . .
O2 La1 C4 90.53(4) 2_666 .
O3 La1 C4 119.09(4) . .
O4 La1 C4 102.77(4) 2_666 .
O1 La1 C3 95.07(5) . .
O2 La1 C3 119.66(4) 2_666 .
O3 La1 C3 123.19(4) . .
O4 La1 C3 99.90(4) 2_666 .
C4 La1 C3 30.26(5) . .
O1 La1 C5 132.57(4) . .
O2 La1 C5 86.76(4) 2_666 .
O3 La1 C5 89.06(4) . .
O4 La1 C5 130.61(4) 2_666 .
C4 La1 C5 30.14(5) . .
C3 La1 C5 49.39(5) . .
O1 La1 C2 84.53(4) . .
O2 La1 C2 135.10(4) 2_666 .
O3 La1 C2 95.28(4) . .
O4 La1 C2 124.29(4) 2_666 .
C4 La1 C2 49.18(5) . .
C3 La1 C2 29.54(4) . .
C5 La1 C2 48.68(5) . .
O1 La1 C1 105.10(4) . .
O2 La1 C1 112.01(4) 2_666 .
O3 La1 C1 75.72(4) . .
O4 La1 C1 148.35(4) 2_666 .
C4 La1 C1 49.07(4) . .
C3 La1 C1 48.71(4) . .
C5 La1 C1 29.41(5) . .
C2 La1 C1 29.19(4) . .
O1 La1 O4 74.51(4) . .
O2 La1 O4 73.89(4) 2_666 .
O3 La1 O4 47.56(3) . .
O4 La1 O4 88.27(3) 2_666 .
C4 La1 O4 158.66(4) . .
C3 La1 O4 165.30(4) . .
C5 La1 O4 131.76(4) . .
C2 La1 O4 136.76(4) . .
C1 La1 O4 123.21(4) . .
O1 La1 C27 79.57(4) . .
O2 La1 C27 81.52(4) 2_666 .
O3 La1 C27 23.12(4) . .
O4 La1 C27 112.73(4) 2_666 .
C4 La1 C27 140.71(4) . .
C3 La1 C27 144.79(4) . .
C5 La1 C27 110.66(4) . .
C2 La1 C27 115.50(4) . .
C1 La1 C27 98.72(4) . .
O4 La1 C27 24.48(4) . .
O1 La1 La1 70.71(3) . 2_666
O2 La1 La1 69.72(3) 2_666 2_666
O3 La1 La1 87.23(3) . 2_666
O4 La1 La1 48.60(2) 2_666 2_666
C4 La1 La1 147.15(3) . 2_666
C3 La1 La1 146.69(3) . 2_666
C5 La1 La1 156.29(3) . 2_666
C2 La1 La1 155.03(3) . 2_666
C1 La1 La1 162.67(3) . 2_666
O4 La1 La1 39.67(2) . 2_666
C27 La1 La1 64.13(3) . 2_666
C16 O1 La1 136.82(10) . .
C16 O2 La1 138.00(10) . 2_666
C27 O3 La1 106.54(10) . .
C27 O4 La1 175.29(10) . 2_666
C27 O4 La1 84.45(8) . .
La1 O4 La1 91.73(3) 2_666 .
C2 C1 C5 108.06(13) . .
C2 C1 C6 125.84(15) . .
C5 C1 C6 126.05(15) . .
C2 C1 La1 74.83(8) . .
C5 C1 La1 73.01(8) . .
C6 C1 La1 120.13(10) . .
C3 C2 C1 108.00(14) . .
C3 C2 C7 125.66(15) . .
C1 C2 C7 126.31(15) . .
C3 C2 La1 72.20(8) . .
C1 C2 La1 75.98(8) . .
C7 C2 La1 119.35(11) . .
C2 C3 C4 108.37(13) . .
C2 C3 C8 125.52(16) . .
C4 C3 C8 126.11(15) . .
C2 C3 La1 78.26(8) . .
C4 C3 La1 74.14(8) . .
C8 C3 La1 114.26(10) . .
C3 C4 C5 107.59(13) . .
C3 C4 C9 125.24(15) . .
C5 C4 C9 127.07(16) . .
C3 C4 La1 75.60(8) . .
C5 C4 La1 76.96(8) . .
C9 C4 La1 110.88(10) . .
C1 C5 C4 107.98(14) . .
C1 C5 C10 125.28(15) . .
C4 C5 C10 126.74(15) . .
C1 C5 La1 77.58(8) . .
C4 C5 La1 72.90(8) . .
C10 C5 La1 115.27(10) . .
C12 C11 C15 102.65(12) . .
C12 C11 C16 112.31(12) . .
C15 C11 C16 106.07(12) . .
C12 C11 C17 112.42(13) . .
C15 C11 C17 112.41(14) . .
C16 C11 C17 110.59(13) . .
C13 C12 C18 128.09(15) . .
C13 C12 C11 109.54(14) . .
C18 C12 C11 122.36(14) . .
C12 C13 C14 109.30(14) . .
C12 C13 C19 127.53(16) . .
C14 C13 C19 123.15(15) . .
C15 C14 C13 109.81(14) . .
C15 C14 C20 127.56(15) . .
C13 C14 C20 122.63(15) . .
C14 C15 C21 128.98(15) . .
C14 C15 C11 108.69(13) . .
C21 C15 C11 122.29(14) . .
O1 C16 O2 124.13(14) . .
O1 C16 C11 118.44(13) . .
O2 C16 C11 117.40(13) . .
C23 C22 C26 102.68(13) . .
C23 C22 C27 114.65(12) . .
C26 C22 C27 109.96(13) . .
C23 C22 C28 109.33(13) . .
C26 C22 C28 110.16(14) . .
C27 C22 C28 109.84(13) . .
C24 C23 C29 129.55(16) . .
C24 C23 C22 108.95(14) . .
C29 C23 C22 121.44(15) . .
C23 C24 C25 109.70(14) . .
C23 C24 C30 127.89(18) . .
C25 C24 C30 122.40(17) . .
C26 C25 C24 109.44(15) . .
C26 C25 C31 127.87(19) . .
C24 C25 C31 122.69(18) . .
C25 C26 C32 129.70(18) . .
C25 C26 C22 108.90(15) . .
C32 C26 C22 121.38(17) . .
O3 C27 O4 121.20(14) . .
O3 C27 C22 118.30(13) . .
O4 C27 C22 120.48(13) . .
O3 C27 La1 50.34(8) . .
O4 C27 La1 71.06(8) . .
C22 C27 La1 166.98(10) . .
C34 C33 C35 112.2(3) . 2_575
C33 C34 C35 112.0(3) . .
C36 C35 C34 109.2(4) . .
C36 C35 C33 113.1(4) . 2_575
C34 C35 C33 110.7(3) . 2_575
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 Cnt 2.490 .
La1 O1 2.4202(11) .
La1 O2 2.4363(11) 2_666
La1 O3 2.4542(12) .
La1 O4 2.4715(11) 2_666
La1 C4 2.7110(15) .
La1 C3 2.7297(15) .
La1 C5 2.7632(15) .
La1 C2 2.8070(15) .
La1 C1 2.8217(15) .
La1 O4 2.9043(11) .
La1 C27 3.0562(15) .
La1 La1 3.8700(4) 2_666
O1 C16 1.2599(19) .
O2 C16 1.2614(19) .
O2 La1 2.4364(11) 2_666
O3 C27 1.2521(19) .
O4 C27 1.2726(18) .
O4 La1 2.4715(11) 2_666
C1 C2 1.418(2) .
C1 C5 1.419(2) .
C1 C6 1.503(2) .
C2 C3 1.414(2) .
C2 C7 1.504(2) .
C3 C4 1.420(2) .
C3 C8 1.503(2) .
C4 C5 1.424(2) .
C4 C9 1.508(2) .
C5 C10 1.503(2) .
C11 C12 1.515(2) .
C11 C15 1.529(2) .
C11 C16 1.535(2) .
C11 C17 1.536(2) .
C12 C13 1.343(2) .
C12 C18 1.492(2) .
C13 C14 1.476(2) .
C13 C19 1.497(2) .
C14 C15 1.345(2) .
C14 C20 1.502(2) .
C15 C21 1.495(2) .
C22 C23 1.516(2) .
C22 C26 1.523(2) .
C22 C27 1.534(2) .
C22 C28 1.541(2) .
C23 C24 1.343(2) .
C23 C29 1.491(2) .
C24 C25 1.473(3) .
C24 C30 1.503(2) .
C25 C26 1.343(2) .
C25 C31 1.501(3) .
C26 C32 1.493(3) .
C33 C34 1.486(6) .
C33 C35 1.526(4) 2_575
C34 C35 1.518(5) .
C35 C36 1.270(6) .
C35 C33 1.526(4) 2_575
