#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:46:09 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179423 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/20/4332035.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4332035
loop_
_publ_author_name
'Li, Hong-Xi'
'Cheng, Mei-Ling'
'Ren, Zhi-Gang'
'Zhang, Wen-Hua'
'Lang, Jian-Ping'
'Shen, Qi'
_publ_section_title
;
 Unique Formation of a Pentanuclear Lanthanum(III) Thiolate Oxide Cluster
 via Control of Hydrolysis
;
_journal_issue                   5
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1885
_journal_page_last               1887
_journal_paper_doi               10.1021/ic052073v
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C38 H93 Cl La2 N4 O2 S Si8, C7 H8'
_chemical_formula_sum            'C45 H101 Cl La2 N4 O2 S Si8'
_chemical_formula_weight         1300.34
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 106.665(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.7862(15)
_cell_length_b                   11.4386(7)
_cell_length_c                   30.107(2)
_cell_measurement_reflns_used    12886
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     6857.7(8)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0627
_diffrn_reflns_av_sigmaI/netI    0.0438
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            37150
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.15
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.471
_exptl_absorpt_correction_T_max  0.8096
_exptl_absorpt_correction_T_min  0.5574
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication.'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.258
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2692
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.086
_refine_diff_density_min         -1.293
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     305
_refine_ls_number_reflns         7791
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0422
_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)+(0.0443P)²+10.2302P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0972
_refine_ls_wR_factor_ref         0.1025
_reflns_number_gt                6765
_reflns_number_total             7791
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic052073vsup1.cif
_cod_data_source_block           2
_cod_original_cell_volume        6857.8(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4332035
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
La1 La 0.504835(9) 0.370116(16) 0.170383(6) 0.02752(8) Uani 1 1 d .
Cl1 Cl 0.5000 0.50772(9) 0.2500 0.0360(3) Uani 1 2 d S
S1 S 0.5000 0.22620(10) 0.2500 0.0325(3) Uani 1 2 d S
Si1 Si 0.38695(6) 0.58337(10) 0.11307(4) 0.0452(3) Uani 1 1 d .
Si2 Si 0.34033(5) 0.33463(10) 0.09817(4) 0.0415(2) Uani 1 1 d .
Si3 Si 0.60714(5) 0.44539(10) 0.10182(4) 0.0434(3) Uani 1 1 d .
Si4 Si 0.66977(5) 0.49211(10) 0.20359(4) 0.0443(3) Uani 1 1 d .
O1 O 0.54731(13) 0.1710(2) 0.15063(9) 0.0422(6) Uani 1 1 d .
N1 N 0.40087(14) 0.4362(3) 0.12254(10) 0.0357(6) Uani 1 1 d .
N2 N 0.60439(14) 0.4436(3) 0.15815(10) 0.0345(6) Uani 1 1 d .
C1 C 0.3504(4) 0.6194(5) 0.0501(2) 0.090(2) Uani 1 1 d .
H1A H 0.3817 0.5950 0.0329 0.135 Uiso 1 1 calc R
H1B H 0.3429 0.7039 0.0466 0.135 Uiso 1 1 calc R
H1C H 0.3076 0.5783 0.0380 0.135 Uiso 1 1 calc R
C2 C 0.3322(3) 0.6461(4) 0.1466(2) 0.0706(15) Uani 1 1 d .
H2A H 0.2872 0.6117 0.1357 0.106 Uiso 1 1 calc R
H2B H 0.3291 0.7310 0.1422 0.106 Uiso 1 1 calc R
H2C H 0.3515 0.6286 0.1796 0.106 Uiso 1 1 calc R
C3 C 0.4683(2) 0.6646(4) 0.13290(17) 0.0578(11) Uani 1 1 d .
H3A H 0.4893 0.6493 0.1659 0.087 Uiso 1 1 calc R
H3B H 0.4599 0.7486 0.1281 0.087 Uiso 1 1 calc R
H3C H 0.4984 0.6384 0.1151 0.087 Uiso 1 1 calc R
C4 C 0.2526(2) 0.3753(5) 0.0962(2) 0.0717(15) Uani 1 1 d .
H4A H 0.2493 0.3834 0.1278 0.108 Uiso 1 1 calc R
H4B H 0.2217 0.3141 0.0799 0.108 Uiso 1 1 calc R
H4C H 0.2408 0.4496 0.0797 0.108 Uiso 1 1 calc R
C5 C 0.3408(3) 0.2907(6) 0.03893(18) 0.091(2) Uani 1 1 d .
H5A H 0.3266 0.3569 0.0177 0.137 Uiso 1 1 calc R
H5B H 0.3097 0.2252 0.0284 0.137 Uiso 1 1 calc R
H5C H 0.3862 0.2667 0.0394 0.137 Uiso 1 1 calc R
C6 C 0.3575(3) 0.1992(4) 0.1348(2) 0.0825(17) Uani 1 1 d .
H6A H 0.4025 0.1701 0.1368 0.124 Uiso 1 1 calc R
H6B H 0.3241 0.1392 0.1208 0.124 Uiso 1 1 calc R
H6C H 0.3547 0.2176 0.1660 0.124 Uiso 1 1 calc R
C7 C 0.5233(2) 0.3961(4) 0.06289(15) 0.0551(11) Uani 1 1 d .
H7A H 0.5165 0.3133 0.0687 0.083 Uiso 1 1 calc R
H7B H 0.5224 0.4066 0.0304 0.083 Uiso 1 1 calc R
H7C H 0.4875 0.4427 0.0694 0.083 Uiso 1 1 calc R
C8 C 0.6684(3) 0.3401(6) 0.08888(18) 0.0758(16) Uani 1 1 d .
H8A H 0.7137 0.3572 0.1089 0.114 Uiso 1 1 calc R
H8B H 0.6677 0.3478 0.0563 0.114 Uiso 1 1 calc R
H8C H 0.6560 0.2601 0.0947 0.114 Uiso 1 1 calc R
C9 C 0.6249(3) 0.5940(5) 0.0818(2) 0.0792(16) Uani 1 1 d .
H9A H 0.5916 0.6499 0.0864 0.119 Uiso 1 1 calc R
H9B H 0.6224 0.5908 0.0488 0.119 Uiso 1 1 calc R
H9C H 0.6700 0.6191 0.0997 0.119 Uiso 1 1 calc R
C10 C 0.6726(2) 0.4084(4) 0.25769(14) 0.0514(10) Uani 1 1 d .
H10A H 0.6297 0.4171 0.2648 0.077 Uiso 1 1 calc R
H10B H 0.7090 0.4388 0.2835 0.077 Uiso 1 1 calc R
H10C H 0.6807 0.3255 0.2530 0.077 Uiso 1 1 calc R
C11 C 0.6611(3) 0.6511(4) 0.2153(2) 0.0778(16) Uani 1 1 d .
H11A H 0.6649 0.6971 0.1887 0.117 Uiso 1 1 calc R
H11B H 0.6967 0.6743 0.2430 0.117 Uiso 1 1 calc R
H11C H 0.6172 0.6653 0.2203 0.117 Uiso 1 1 calc R
C12 C 0.7547(2) 0.4690(6) 0.19481(19) 0.0844(19) Uani 1 1 d .
H12A H 0.7620 0.3852 0.1913 0.127 Uiso 1 1 calc R
H12B H 0.7894 0.4992 0.2217 0.127 Uiso 1 1 calc R
H12C H 0.7570 0.5104 0.1668 0.127 Uiso 1 1 calc R
C13 C 0.5000 0.0716(4) 0.2500 0.0327(10) Uani 1 2 d S
C14 C 0.4419(2) 0.0098(3) 0.22905(14) 0.0436(9) Uani 1 1 d .
H14 H 0.4016 0.0508 0.2143 0.052 Uiso 1 1 calc R
C15 C 0.4420(3) -0.1115(3) 0.22945(17) 0.0550(11) Uani 1 1 d .
H15 H 0.4018 -0.1532 0.2154 0.066 Uiso 1 1 calc R
C16 C 0.5000 -0.1712(5) 0.2500 0.0592(17) Uani 1 2 d S
H16 H 0.5000 -0.2542 0.2500 0.071 Uiso 1 2 calc SR
C17 C 0.5193(3) 0.0711(5) 0.1213(2) 0.0769(16) Uani 1 1 d .
H17A H 0.5182 0.0863 0.0887 0.092 Uiso 1 1 calc R
H17B H 0.4732 0.0542 0.1225 0.092 Uiso 1 1 calc R
C18 C 0.5645(4) -0.0270(5) 0.1404(3) 0.110(3) Uani 1 1 d .
H18A H 0.5478 -0.0712 0.1631 0.133 Uiso 1 1 calc R
H18B H 0.5675 -0.0808 0.1154 0.133 Uiso 1 1 calc R
C19 C 0.6282(3) 0.0225(5) 0.1623(3) 0.099(2) Uani 1 1 d .
H19A H 0.6554 0.0281 0.1403 0.119 Uiso 1 1 calc R
H19B H 0.6528 -0.0261 0.1890 0.119 Uiso 1 1 calc R
C20 C 0.6148(2) 0.1409(4) 0.17820(16) 0.0511(10) Uani 1 1 d .
H20A H 0.6177 0.1399 0.2116 0.061 Uiso 1 1 calc R
H20B H 0.6477 0.1982 0.1731 0.061 Uiso 1 1 calc R
C21 C -0.0150(7) 0.3882(8) 0.0144(3) 0.131(4) Uani 1 1 d .
H21 H -0.0250 0.3137 0.0246 0.157 Uiso 1 1 calc R
C22 C 0.0460(6) 0.4162(7) 0.0128(2) 0.109(3) Uani 1 1 d .
H22 H 0.0796 0.3574 0.0210 0.131 Uiso 1 1 calc R
C23 C 0.0647(6) 0.5236(9) 0.0002(3) 0.118(3) Uani 1 1 d .
C24 C 0.1191(11) 0.5546(17) -0.0034(6) 0.147(9) Uani 0.50 1 d P
H24A H 0.1479 0.5794 0.0270 0.221 Uiso 0.50 1 calc PR
H24B H 0.1129 0.6201 -0.0252 0.221 Uiso 0.50 1 calc PR
H24C H 0.1404 0.4893 -0.0149 0.221 Uiso 0.50 1 calc PR
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'
Cl Cl 0.1484 0.1585 '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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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
N1 La1 N2 118.88(10) . .
N1 La1 O1 117.32(9) . .
N2 La1 O1 84.55(9) . .
N1 La1 Cl1 95.07(7) . .
N2 La1 Cl1 100.13(7) . .
O1 La1 Cl1 140.24(6) . .
N1 La1 S1 116.12(7) . .
N2 La1 S1 124.40(7) . .
O1 La1 S1 77.68(6) . .
Cl1 La1 S1 67.10(3) . .
N1 La1 Si3 99.68(7) . .
N2 La1 Si3 26.34(7) . .
O1 La1 Si3 76.86(6) . .
Cl1 La1 Si3 122.05(3) . .
S1 La1 Si3 142.73(2) . .
N1 La1 Si2 25.45(7) . .
N2 La1 Si2 133.40(7) . .
O1 La1 Si2 95.30(6) . .
Cl1 La1 Si2 108.48(2) . .
S1 La1 Si2 100.70(2) . .
Si3 La1 Si2 108.33(3) . .
N1 La1 Si1 24.91(8) . .
N2 La1 Si1 101.19(7) . .
O1 La1 Si1 137.17(6) . .
Cl1 La1 Si1 81.09(2) . .
S1 La1 Si1 127.19(2) . .
Si3 La1 Si1 89.75(3) . .
Si2 La1 Si1 50.35(3) . .
La1 Cl1 La1 114.09(4) . 2_655
C13 S1 La1 124.139(18) . 2_655
C13 S1 La1 124.139(18) . .
La1 S1 La1 111.72(4) 2_655 .
N1 Si1 C2 112.7(2) . .
N1 Si1 C3 109.86(18) . .
C2 Si1 C3 105.8(2) . .
N1 Si1 C1 112.6(2) . .
C2 Si1 C1 109.2(3) . .
C3 Si1 C1 106.3(3) . .
C2 Si1 La1 116.45(18) . .
C3 Si1 La1 75.54(15) . .
C1 Si1 La1 131.9(2) . .
N1 Si2 C5 112.9(2) . .
N1 Si2 C4 115.8(2) . .
C5 Si2 C4 108.1(3) . .
N1 Si2 C6 108.40(19) . .
C5 Si2 C6 106.8(3) . .
C4 Si2 C6 104.1(3) . .
C5 Si2 La1 110.75(18) . .
C4 Si2 La1 139.52(19) . .
C6 Si2 La1 75.19(16) . .
N2 Si3 C8 114.6(2) . .
N2 Si3 C9 113.2(2) . .
C8 Si3 C9 107.9(3) . .
N2 Si3 C7 108.95(17) . .
C8 Si3 C7 103.9(2) . .
C9 Si3 C7 107.6(2) . .
C8 Si3 La1 122.23(19) . .
C9 Si3 La1 128.8(2) . .
C7 Si3 La1 71.40(14) . .
N2 Si4 C11 111.5(2) . .
N2 Si4 C10 110.32(17) . .
C11 Si4 C10 108.3(2) . .
N2 Si4 C12 113.8(2) . .
C11 Si4 C12 108.0(3) . .
C10 Si4 C12 104.7(2) . .
C20 O1 C17 108.2(3) . .
C20 O1 La1 114.6(2) . .
C17 O1 La1 136.9(3) . .
Si2 N1 Si1 121.66(18) . .
Si2 N1 La1 118.46(15) . .
Si1 N1 La1 119.88(15) . .
Si3 N2 Si4 122.71(17) . .
Si3 N2 La1 116.01(14) . .
Si4 N2 La1 121.28(15) . .
Si1 C1 H1A 109.5 . .
Si1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
Si1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
Si1 C2 H2A 109.5 . .
Si1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
Si1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
Si1 C3 H3A 109.5 . .
Si1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
Si1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
Si2 C4 H4A 109.5 . .
Si2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
Si2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
Si2 C5 H5A 109.5 . .
Si2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
Si2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
Si2 C6 H6A 109.5 . .
Si2 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
Si2 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
Si3 C7 H7A 109.5 . .
Si3 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
Si3 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
Si3 C8 H8A 109.5 . .
Si3 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
Si3 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
Si3 C9 H9A 109.5 . .
Si3 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
Si3 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
Si4 C10 H10A 109.5 . .
Si4 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
Si4 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
Si4 C11 H11A 109.5 . .
Si4 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
Si4 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
Si4 C12 H12A 109.5 . .
Si4 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
Si4 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C14 C13 C14 118.7(5) . 2_655
C14 C13 S1 120.7(2) . .
C14 C13 S1 120.7(2) 2_655 .
C13 C14 C15 120.4(4) . .
C13 C14 H14 119.8 . .
C15 C14 H14 119.8 . .
C16 C15 C14 120.2(4) . .
C16 C15 H15 119.9 . .
C14 C15 H15 119.9 . .
C15 C16 C15 120.1(5) 2_655 .
C15 C16 H16 119.9 2_655 .
C15 C16 H16 119.9 . .
O1 C17 C18 105.2(5) . .
O1 C17 H17A 110.7 . .
C18 C17 H17A 110.7 . .
O1 C17 H17B 110.7 . .
C18 C17 H17B 110.7 . .
H17A C17 H17B 108.8 . .
C19 C18 C17 106.5(5) . .
C19 C18 H18A 110.4 . .
C17 C18 H18A 110.4 . .
C19 C18 H18B 110.4 . .
C17 C18 H18B 110.4 . .
H18A C18 H18B 108.6 . .
C18 C19 C20 106.0(5) . .
C18 C19 H19A 110.5 . .
C20 C19 H19A 110.5 . .
C18 C19 H19B 110.5 . .
C20 C19 H19B 110.5 . .
H19A C19 H19B 108.7 . .
O1 C20 C19 105.8(4) . .
O1 C20 H20A 110.6 . .
C19 C20 H20A 110.6 . .
O1 C20 H20B 110.6 . .
C19 C20 H20B 110.6 . .
H20A C20 H20B 108.7 . .
C22 C21 C23 116.0(11) . 5_565
C22 C21 H21 122.0 . .
C23 C21 H21 122.0 5_565 .
C21 C22 C23 125.2(9) . .
C21 C22 H22 117.4 . .
C23 C22 H22 117.4 . .
C24 C23 C22 128.9(15) . .
C24 C23 C21 112.2(15) . 5_565
C22 C23 C21 118.8(10) . 5_565
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 N1 2.352(3) .
La1 N2 2.358(3) .
La1 O1 2.573(3) .
La1 Cl1 2.8934(6) .
La1 S1 2.9332(7) .
La1 Si3 3.4701(11) .
La1 Si2 3.5100(11) .
La1 Si1 3.5366(11) .
Cl1 La1 2.8934(6) 2_655
S1 C13 1.768(5) .
S1 La1 2.9332(7) 2_655
Si1 N1 1.718(3) .
Si1 C2 1.868(5) .
Si1 C3 1.871(5) .
Si1 C1 1.874(5) .
Si2 N1 1.716(3) .
Si2 C5 1.855(5) .
Si2 C4 1.866(5) .
Si2 C6 1.876(5) .
Si3 N2 1.713(3) .
Si3 C8 1.874(5) .
Si3 C9 1.876(5) .
Si3 C7 1.886(4) .
Si4 N2 1.720(3) .
Si4 C11 1.871(5) .
Si4 C10 1.876(5) .
Si4 C12 1.878(5) .
O1 C20 1.452(5) .
O1 C17 1.459(5) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.386(4) .
C13 C14 1.386(4) 2_655
C14 C15 1.388(5) .
C14 H14 0.9500 .
C15 C16 1.368(6) .
C15 H15 0.9500 .
C16 C15 1.368(6) 2_655
C16 H16 0.9500 .
C17 C18 1.470(8) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.417(9) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.489(6) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.323(13) .
C21 C23 1.420(13) 5_565
C21 H21 0.9500 .
C22 C23 1.374(12) .
C22 H22 0.9500 .
C23 C24 1.219(19) .
C23 C21 1.420(13) 5_565
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C16 H16 Cl1 0.95 2.72 3.673(6) 180.0 1_545
