#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:49:09 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178825 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/79/4107954.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_4107954
loop_
_publ_author_name
'William J. Evans'
'Benjamin M. Schmiege'
'Sara E. Lorenz'
'Kevin A. Miller'
'Timothy M. Champagne'
'Joseph W. Ziller'
'Antonio G. DiPasquale'
'Arnold L. Rheingold'
_publ_section_title
;
 Reductive Reactivity of the Organolanthanide Hydrides, [(C5Me5)2LnH]x,
 Leads to an sa-Allyl Cyclopentadienyl (\h5-C5Me4CH2-C5Me4CH2-\h3)2- and
 Trianionic Cyclooctatetraenyl (C8H7)3- Ligands
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8555
_journal_page_last               8563
_journal_paper_doi               10.1021/ja8011726
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'C66 H86 La2 S2'
_chemical_formula_weight         1221.29
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL
_cell_angle_alpha                110.9480(10)
_cell_angle_beta                 98.645(2)
_cell_angle_gamma                95.886(2)
_cell_formula_units_Z            1
_cell_length_a                   10.3920(10)
_cell_length_b                   10.6563(11)
_cell_length_c                   14.8522(15)
_cell_measurement_temperature    163(2)
_cell_volume                     1496.7(3)
_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 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0189
_diffrn_reflns_av_sigmaI/netI    0.0202
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            19221
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        '< 1.0'
_diffrn_standards_interval_count 'initial 50 frames recollected'
_diffrn_standards_number         '50 frames'
_exptl_absorpt_coefficient_mu    1.515
_exptl_absorpt_correction_T_max  0.7032
_exptl_absorpt_correction_T_min  0.5179
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.259
_refine_diff_density_min         -0.655
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         7281
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0270
_refine_ls_R_factor_gt           0.0245
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0337P)²+1.3306P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0627
_refine_ls_wR_factor_ref         0.0648
_reflns_number_gt                6812
_reflns_number_total             7281
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja8011726-file006.cif
_cod_data_source_block           kam32
_cod_depositor_comments
;
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 
;
_cod_database_code               4107954
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
La1 La 0.553885(11) 0.622821(11) 0.188051(8) 0.02094(4) Uani 1 1 d . . .
S1 S 0.61435(5) 0.41633(5) 0.00644(4) 0.02763(11) Uani 1 1 d . . .
C1 C 0.3550(2) 0.4237(2) 0.18487(17) 0.0322(5) Uani 1 1 d . . .
C2 C 0.3209(2) 0.5480(2) 0.24131(19) 0.0340(5) Uani 1 1 d . . .
C3 C 0.4130(3) 0.6036(3) 0.33190(18) 0.0409(6) Uani 1 1 d . . .
C4 C 0.5056(3) 0.5146(3) 0.3286(2) 0.0440(6) Uani 1 1 d . . .
C5 C 0.4695(3) 0.4050(3) 0.2378(2) 0.0395(6) Uani 1 1 d . . .
C6 C 0.2749(4) 0.3256(4) 0.0876(2) 0.0655(11) Uani 1 1 d . . .
H6A H 0.2590 0.2343 0.0894 0.098 Uiso 1 1 calc R . .
H6B H 0.3231 0.3233 0.0354 0.098 Uiso 1 1 calc R . .
H6C H 0.1902 0.3551 0.0746 0.098 Uiso 1 1 calc R . .
C7 C 0.2024(3) 0.6081(4) 0.2167(3) 0.0706(11) Uani 1 1 d . . .
H7A H 0.1293 0.5769 0.2425 0.106 Uiso 1 1 calc R . .
H7B H 0.1764 0.5787 0.1451 0.106 Uiso 1 1 calc R . .
H7C H 0.2242 0.7078 0.2466 0.106 Uiso 1 1 calc R . .
C8 C 0.3967(5) 0.7199(4) 0.4214(3) 0.0827(15) Uani 1 1 d . . .
H8A H 0.3211 0.6919 0.4462 0.124 Uiso 1 1 calc R . .
H8B H 0.3816 0.7982 0.4037 0.124 Uiso 1 1 calc R . .
H8C H 0.4769 0.7455 0.4725 0.124 Uiso 1 1 calc R . .
C9 C 0.6154(4) 0.5209(5) 0.4103(3) 0.0913(16) Uani 1 1 d . . .
H9A H 0.6009 0.4378 0.4242 0.137 Uiso 1 1 calc R . .
H9B H 0.6161 0.6005 0.4697 0.137 Uiso 1 1 calc R . .
H9C H 0.7004 0.5283 0.3900 0.137 Uiso 1 1 calc R . .
C10 C 0.5328(4) 0.2785(4) 0.2021(4) 0.0826(15) Uani 1 1 d . . .
H10A H 0.4753 0.2003 0.2031 0.124 Uiso 1 1 calc R . .
H10B H 0.6186 0.2931 0.2453 0.124 Uiso 1 1 calc R . .
H10C H 0.5452 0.2605 0.1347 0.124 Uiso 1 1 calc R . .
C11 C 0.7925(2) 0.7970(2) 0.21178(16) 0.0291(4) Uani 1 1 d . . .
C12 C 0.6904(2) 0.8738(2) 0.20194(16) 0.0274(4) Uani 1 1 d . . .
C13 C 0.6349(2) 0.9048(2) 0.28786(16) 0.0291(4) Uani 1 1 d . . .
C14 C 0.7053(2) 0.8519(2) 0.35191(16) 0.0322(5) Uani 1 1 d . . .
C15 C 0.7998(2) 0.7823(2) 0.30373(17) 0.0323(5) Uani 1 1 d . . .
C16 C 0.8901(2) 0.7554(3) 0.14543(19) 0.0374(5) Uani 1 1 d . . .
H16A H 0.9782 0.7696 0.1856 0.056 Uiso 1 1 calc R . .
H16B H 0.8917 0.8107 0.1051 0.056 Uiso 1 1 calc R . .
H16C H 0.8636 0.6589 0.1025 0.056 Uiso 1 1 calc R . .
C17 C 0.6574(3) 0.9301(2) 0.12332(18) 0.0341(5) Uani 1 1 d . . .
H17A H 0.6418 1.0238 0.1535 0.051 Uiso 1 1 calc R . .
H17B H 0.5778 0.8737 0.0760 0.051 Uiso 1 1 calc R . .
H17C H 0.7312 0.9293 0.0892 0.051 Uiso 1 1 calc R . .
C18 C 0.5299(3) 0.9918(3) 0.31180(19) 0.0383(5) Uani 1 1 d . . .
H18A H 0.5702 1.0812 0.3626 0.057 Uiso 1 1 calc R . .
H18B H 0.4634 0.9474 0.3360 0.057 Uiso 1 1 calc R . .
H18C H 0.4878 1.0036 0.2524 0.057 Uiso 1 1 calc R . .
C19 C 0.7046(3) 0.8917(3) 0.45983(18) 0.0471(7) Uani 1 1 d . . .
H19A H 0.7781 0.9661 0.4984 0.071 Uiso 1 1 calc R . .
H19B H 0.7142 0.8131 0.4782 0.071 Uiso 1 1 calc R . .
H19C H 0.6210 0.9220 0.4731 0.071 Uiso 1 1 calc R . .
C20 C 0.9056(3) 0.7240(3) 0.3499(2) 0.0445(6) Uani 1 1 d . . .
H20A H 0.9885 0.7892 0.3736 0.067 Uiso 1 1 calc R . .
H20B H 0.9185 0.6384 0.3008 0.067 Uiso 1 1 calc R . .
H20C H 0.8783 0.7064 0.4053 0.067 Uiso 1 1 calc R . .
C21 C 0.73019(19) 0.3130(2) 0.02450(15) 0.0227(4) Uani 1 1 d . . .
C22 C 0.7277(2) 0.1840(2) -0.04478(19) 0.0351(5) Uani 1 1 d . . .
H22A H 0.6637 0.1506 -0.1044 0.042 Uiso 1 1 calc R . .
C23 C 0.8180(3) 0.1030(3) -0.0278(2) 0.0444(6) Uani 1 1 d . . .
H23A H 0.8155 0.0152 -0.0764 0.053 Uiso 1 1 calc R . .
C24 C 0.9103(3) 0.1484(3) 0.0580(2) 0.0449(6) Uani 1 1 d . . .
H24A H 0.9706 0.0920 0.0697 0.054 Uiso 1 1 calc R . .
C25 C 0.9147(3) 0.2759(3) 0.1266(2) 0.0483(7) Uani 1 1 d . . .
H25A H 0.9789 0.3082 0.1861 0.058 Uiso 1 1 calc R . .
C26 C 0.82656(13) 0.35897(14) 0.11045(9) 0.0385(5) Uani 1 1 d . . .
H26A H 0.8321 0.4479 0.1584 0.046 Uiso 1 1 calc R . .
C27 C 1.00568(13) 0.77873(14) 0.63026(9) 0.0375(8) Uiso 0.685(5) 1 d PR A 1
C28 C 0.97098(13) 0.90636(14) 0.67248(9) 0.0422(9) Uiso 0.685(5) 1 d PR A 1
H28A H 1.0286 0.9860 0.6796 0.051 Uiso 0.685(5) 1 calc PR A 1
C29 C 0.85197(13) 0.91746(14) 0.70427(9) 0.0520(11) Uiso 0.685(5) 1 d PR A 1
H29A H 0.8282 1.0047 0.7331 0.062 Uiso 0.685(5) 1 calc PR A 1
C30 C 0.76768(13) 0.80093(14) 0.69385(9) 0.0538(11) Uiso 0.685(5) 1 d PR A 1
H30A H 0.6863 0.8085 0.7156 0.065 Uiso 0.685(5) 1 calc PR A 1
C31 C 0.80240(13) 0.67329(14) 0.65164(9) 0.0405(9) Uiso 0.685(5) 1 d PR A 1
H31A H 0.7448 0.5936 0.6445 0.049 Uiso 0.685(5) 1 calc PR A 1
C32 C 0.92140(13) 0.66219(14) 0.61984(9) 0.0408(9) Uiso 0.685(5) 1 d PR A 1
H32A H 0.9451 0.5750 0.5910 0.049 Uiso 0.685(5) 1 calc PR A 1
C33 C 1.14218(13) 0.76557(14) 0.59511(9) 0.0615(13) Uiso 0.685(5) 1 d PR A 1
H33A H 1.1894 0.8565 0.6076 0.092 Uiso 0.685(5) 1 calc PR A 1
H33B H 1.1257 0.7100 0.5245 0.092 Uiso 0.685(5) 1 calc PR A 1
H33C H 1.1958 0.7220 0.6315 0.092 Uiso 0.685(5) 1 calc PR A 1
C27B C 0.87819(13) 0.79646(14) 0.66785(9) 0.050(2) Uiso 0.315(5) 1 d PR A 2
C28B C 0.85869(13) 0.65542(14) 0.63837(9) 0.0399(19) Uiso 0.315(5) 1 d PR A 2
H28B H 0.7787 0.6083 0.6428 0.048 Uiso 0.315(5) 1 calc PR A 2
C29B C 0.95628(13) 0.58337(14) 0.60245(9) 0.073(3) Uiso 0.315(5) 1 d PR A 2
H29B H 0.9430 0.4870 0.5823 0.088 Uiso 0.315(5) 1 calc PR A 2
C30B C 1.07337(13) 0.65237(14) 0.59601(9) 0.086(4) Uiso 0.315(5) 1 d PR A 2
H30B H 1.1401 0.6031 0.5715 0.103 Uiso 0.315(5) 1 calc PR A 2
C31B C 1.09286(13) 0.79341(14) 0.62549(9) 0.073(3) Uiso 0.315(5) 1 d PR A 2
H31B H 1.1729 0.8406 0.6211 0.087 Uiso 0.315(5) 1 calc PR A 2
C32B C 0.99527(13) 0.86546(14) 0.66141(9) 0.0315(16) Uiso 0.315(5) 1 d PR A 2
H32B H 1.0086 0.9619 0.6816 0.038 Uiso 0.315(5) 1 calc PR A 2
C33B C 0.76221(13) 0.84250(14) 0.69921(9) 0.070(3) Uiso 0.315(5) 1 d PR A 2
H33D H 0.6986 0.7644 0.6938 0.105 Uiso 0.315(5) 1 calc PR A 2
H33E H 0.7228 0.8877 0.6575 0.105 Uiso 0.315(5) 1 calc PR A 2
H33F H 0.7856 0.9070 0.7678 0.105 Uiso 0.315(5) 1 calc PR A 2
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'
S S 0.1246 0.1234 '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
Cnt1 La1 S1 108.6 . .
Cnt2 La1 S1 115.2 . .
Cnt1 La1 S1 105.4 . 2_665
Cnt2 La1 S1 116.8 . 2_665
Cnt1 La1 Cnt2 129.1 . .
C5 La1 C2 48.23(7) . .
C5 La1 C1 29.09(8) . .
C2 La1 C1 29.21(7) . .
C5 La1 C13 136.13(8) . .
C2 La1 C13 108.18(7) . .
C1 La1 C13 137.09(7) . .
C5 La1 C4 29.04(9) . .
C2 La1 C4 48.24(8) . .
C1 La1 C4 47.90(8) . .
C13 La1 C4 107.19(8) . .
C5 La1 C3 47.93(7) . .
C2 La1 C3 29.27(8) . .
C1 La1 C3 47.90(7) . .
C13 La1 C3 92.50(7) . .
C4 La1 C3 29.10(9) . .
C5 La1 C12 160.72(8) . .
C2 La1 C12 133.61(7) . .
C1 La1 C12 161.74(7) . .
C13 La1 C12 29.35(6) . .
C4 La1 C12 133.11(8) . .
C3 La1 C12 121.84(7) . .
C5 La1 C11 138.46(8) . .
C2 La1 C11 154.56(7) . .
C1 La1 C11 167.52(7) . .
C13 La1 C11 48.13(6) . .
C4 La1 C11 122.33(7) . .
C3 La1 C11 129.07(7) . .
C12 La1 C11 29.20(6) . .
C5 La1 C15 114.22(8) . .
C2 La1 C15 131.30(7) . .
C1 La1 C15 141.13(7) . .
C13 La1 C15 47.91(7) . .
C4 La1 C15 93.58(8) . .
C3 La1 C15 102.44(8) . .
C12 La1 C15 47.97(7) . .
C11 La1 C15 29.00(7) . .
C5 La1 C14 113.26(8) . .
C2 La1 C14 107.50(7) . .
C1 La1 C14 129.15(7) . .
C13 La1 C14 29.03(7) . .
C4 La1 C14 85.28(8) . .
C3 La1 C14 81.87(7) . .
C12 La1 C14 47.91(6) . .
C11 La1 C14 47.69(7) . .
C15 La1 C14 28.79(7) . .
C5 La1 S1 107.85(6) . 2_665
C2 La1 S1 86.68(5) . 2_665
C1 La1 S1 82.75(5) . 2_665
C13 La1 S1 106.21(5) . 2_665
C4 La1 S1 130.27(6) . 2_665
C3 La1 S1 115.09(6) . 2_665
C12 La1 S1 91.28(5) . 2_665
C11 La1 S1 107.39(5) . 2_665
C15 La1 S1 136.06(5) . 2_665
C14 La1 S1 135.08(5) . 2_665
C5 La1 S1 87.02(6) . .
C2 La1 S1 115.42(5) . .
C1 La1 S1 88.29(5) . .
C13 La1 S1 133.61(5) . .
C4 La1 S1 113.16(7) . .
C3 La1 S1 133.70(5) . .
C12 La1 S1 104.36(5) . .
C11 La1 S1 89.99(5) . .
C15 La1 S1 106.55(5) . .
C14 La1 S1 134.89(5) . .
S1 La1 S1 62.841(17) 2_665 .
C21 S1 La1 125.30(7) . 2_665
C21 S1 La1 116.96(7) . .
La1 S1 La1 117.159(17) 2_665 .
C5 C1 C2 108.3(2) . .
C5 C1 C6 126.9(3) . .
C2 C1 C6 124.7(3) . .
C5 C1 La1 74.96(14) . .
C2 C1 La1 75.24(13) . .
C6 C1 La1 119.12(16) . .
C1 C2 C3 107.6(2) . .
C1 C2 C7 127.6(3) . .
C3 C2 C7 124.7(3) . .
C1 C2 La1 75.55(13) . .
C3 C2 La1 76.67(14) . .
C7 C2 La1 118.11(17) . .
C4 C3 C2 107.7(2) . .
C4 C3 C8 126.5(3) . .
C2 C3 C8 124.7(3) . .
C4 C3 La1 74.86(14) . .
C2 C3 La1 74.06(13) . .
C8 C3 La1 126.33(19) . .
C5 C4 C3 107.9(2) . .
C5 C4 C9 123.4(3) . .
C3 C4 C9 128.3(3) . .
C5 C4 La1 74.42(14) . .
C3 C4 La1 76.04(14) . .
C9 C4 La1 121.4(2) . .
C1 C5 C4 108.5(2) . .
C1 C5 C10 123.5(3) . .
C4 C5 C10 127.8(3) . .
C1 C5 La1 75.95(13) . .
C4 C5 La1 76.54(14) . .
C10 C5 La1 117.83(17) . .
C15 C11 C12 107.8(2) . .
C15 C11 C16 124.5(2) . .
C12 C11 C16 127.1(2) . .
C15 C11 La1 75.71(13) . .
C12 C11 La1 74.73(12) . .
C16 C11 La1 122.31(15) . .
C13 C12 C11 107.62(19) . .
C13 C12 C17 124.7(2) . .
C11 C12 C17 127.2(2) . .
C13 C12 La1 74.70(12) . .
C11 C12 La1 76.07(12) . .
C17 C12 La1 121.50(15) . .
C14 C13 C12 108.3(2) . .
C14 C13 C18 125.5(2) . .
C12 C13 C18 125.9(2) . .
C14 C13 La1 77.66(13) . .
C12 C13 La1 75.95(12) . .
C18 C13 La1 117.93(15) . .
C15 C14 C13 107.8(2) . .
C15 C14 C19 124.7(2) . .
C13 C14 C19 125.8(2) . .
C15 C14 La1 74.94(13) . .
C13 C14 La1 73.31(12) . .
C19 C14 La1 129.10(17) . .
C14 C15 C11 108.4(2) . .
C14 C15 C20 125.2(2) . .
C11 C15 C20 125.6(2) . .
C14 C15 La1 76.27(13) . .
C11 C15 La1 75.29(12) . .
C20 C15 La1 122.71(17) . .
C22 C21 C26 117.91(18) . .
C22 C21 S1 121.69(16) . .
C26 C21 S1 120.40(14) . .
C21 C22 C23 120.7(2) . .
C24 C23 C22 120.8(3) . .
C25 C24 C23 119.2(2) . .
C24 C25 C26 120.9(2) . .
C25 C26 C21 120.58(18) . .
C28 C27 C32 120.0 . .
C28 C27 C33 120.2 . .
C32 C27 C33 119.8 . .
C27 C28 C29 120.0 . .
C30 C29 C28 120.0 . .
C29 C30 C31 120.0 . .
C32 C31 C30 120.0 . .
C31 C32 C27 120.0 . .
C28B C27B C32B 120.0 . .
C28B C27B C33B 107.9 . .
C32B C27B C33B 132.1 . .
C27B C28B C29B 120.0 . .
C28B C29B C30B 120.0 . .
C31B C30B C29B 120.0 . .
C30B C31B C32B 120.0 . .
C31B C32B C27B 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 Cnt1 2.525 .
La1 Cnt2 2.560 .
La1 C5 2.776(2) .
La1 C2 2.785(2) .
La1 C1 2.789(2) .
La1 C13 2.803(2) .
La1 C4 2.803(2) .
La1 C3 2.818(2) .
La1 C12 2.819(2) .
La1 C11 2.836(2) .
La1 C15 2.841(2) .
La1 C14 2.858(2) .
La1 S1 3.0076(6) 2_665
La1 S1 3.0102(6) .
S1 C21 1.766(2) .
S1 La1 3.0075(6) 2_665
C1 C5 1.398(4) .
C1 C2 1.405(3) .
C1 C6 1.501(4) .
C2 C3 1.416(4) .
C2 C7 1.500(4) .
C3 C4 1.412(4) .
C3 C8 1.505(4) .
C4 C5 1.399(4) .
C4 C9 1.513(4) .
C5 C10 1.518(4) .
C11 C15 1.421(3) .
C11 C12 1.425(3) .
C11 C16 1.509(3) .
C12 C13 1.424(3) .
C12 C17 1.504(3) .
C13 C14 1.420(3) .
C13 C18 1.506(3) .
C14 C15 1.417(3) .
C14 C19 1.506(3) .
C15 C20 1.511(3) .
C21 C22 1.386(3) .
C21 C26 1.393(2) .
C22 C23 1.393(3) .
C23 C24 1.370(4) .
C24 C25 1.368(4) .
C25 C26 1.390(3) .
C27 C28 1.3899 .
C27 C32 1.3900 .
C27 C33 1.5860 .
C28 C29 1.3900 .
C29 C30 1.3900 .
C30 C31 1.3900 .
C31 C32 1.3900 .
C27B C28B 1.3899 .
C27B C32B 1.3900 .
C27B C33B 1.4271 .
C28B C29B 1.3900 .
C29B C30B 1.3900 .
C30B C31B 1.3900 .
C31B C32B 1.3900 .
