#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:49:25 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179079 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/41/4304142.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_4304142
loop_
_publ_author_name
'Andrew J. Gaunt'
'Sean D. Reilly'
'Alejandro E. Enriquez'
'Brian L. Scott'
'James A. Ibers'
'Perumal Sekar'
'Kieran I. M. Ingram'
'Nikolas Kaltsoyannis'
'Mary P. Neu'
_publ_contact_author_address
;
Los Alamos National Laboratory
MS F629
Los Alamos, NM  87544
;
_publ_contact_author_email       gaunt@lanl.gov
_publ_contact_author_name        'Andrew J. Gaunt'
_publ_section_title
;
Experimental and Theoretical Comparison of Actinide and Lanthanide Bonding
in M[N(EPR2)2]3 Complexes (M = U, Pu, La, Ce; E = S, Se, Te; R = Ph,iPr, H)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              29
_journal_page_last               41
_journal_paper_doi               10.1021/ic701618a
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C36 H84 La N3 P6 S6'
_chemical_formula_weight         1076.15
_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           SHELXL-97
_cell_angle_alpha                91.1880(10)
_cell_angle_beta                 108.7370(10)
_cell_angle_gamma                117.2740(10)
_cell_formula_units_Z            2
_cell_length_a                   13.0101(11)
_cell_length_b                   13.3384(11)
_cell_length_c                   18.7969(15)
_cell_measurement_temperature    141(2)
_cell_volume                     2690.4(4)
_computing_cell_refinement       'SAINT+, v. 7.06 (Bruker AXS, 2001)'
_computing_data_collection       'APEX II, v. 1.08 (Bruker AXS, 2003)'
_computing_data_reduction        'SAINT+, v. 7.06 (Bruker AXS, 2001)'
_computing_molecular_graphics    'SHELXTL, v. 6.10, (Bruker AXS, 2000)'
_computing_publication_material  'SHELXTL, v. 6.10, (Bruker AXS, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      141(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker D8 with APEXII CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_av_sigmaI/netI    0.0818
_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       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            25456
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.39
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.232
_exptl_absorpt_correction_T_max  0.9297
_exptl_absorpt_correction_T_min  0.7400
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.03 (Sheldrick, 2001)'
_exptl_crystal_colour            rod
_exptl_crystal_density_diffrn    1.328
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       colorless
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.760
_refine_diff_density_min         -0.875
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         9816
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0412
_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)+(0.0338P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0924
_refine_ls_wR_factor_ref         0.0996
_reflns_number_gt                7334
_reflns_number_total             9816
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701618a_si_08.cif
_cod_data_source_block           apx201
_cod_database_code               4304142
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 0.85943(2) 0.75284(2) 0.746909(13) 0.01914(8) Uani 1 1 d . . .
S1 S 0.92645(9) 0.61401(9) 0.66928(6) 0.0235(2) Uani 1 1 d . . .
S2 S 1.12509(10) 0.89941(9) 0.82664(6) 0.0266(3) Uani 1 1 d . . .
S3 S 0.87871(10) 0.97289(9) 0.71747(6) 0.0286(3) Uani 1 1 d . . .
S4 S 0.64060(9) 0.64841(9) 0.60960(6) 0.0227(2) Uani 1 1 d . . .
S5 S 0.87358(9) 0.85230(9) 0.88868(6) 0.0220(2) Uani 1 1 d . . .
S6 S 0.70595(10) 0.53289(9) 0.77864(6) 0.0236(2) Uani 1 1 d . . .
P1 P 1.09208(10) 0.62390(9) 0.72702(6) 0.0203(2) Uani 1 1 d . . .
P2 P 1.24854(10) 0.87309(9) 0.79784(6) 0.0200(2) Uani 1 1 d . . .
P3 P 0.73911(10) 0.97186(9) 0.62893(6) 0.0219(2) Uani 1 1 d . . .
P4 P 0.63660(10) 0.74593(9) 0.52869(6) 0.0215(2) Uani 1 1 d . . .
P5 P 0.85112(10) 0.75244(9) 0.96826(6) 0.0202(2) Uani 1 1 d . . .
P6 P 0.64442(10) 0.53209(9) 0.86489(6) 0.0195(2) Uani 1 1 d . . .
N1 N 1.2130(3) 0.7477(3) 0.76154(19) 0.0236(8) Uani 1 1 d . . .
N2 N 0.6668(3) 0.8736(3) 0.55461(19) 0.0230(8) Uani 1 1 d . . .
N3 N 0.7337(3) 0.6264(3) 0.94177(18) 0.0207(8) Uani 1 1 d . . .
C1 C 1.0795(4) 0.5441(3) 0.8054(2) 0.0246(10) Uani 1 1 d . . .
H1 H 1.0887 0.5966 0.8471 0.030 Uiso 1 1 calc R . .
C2 C 1.1891(4) 0.5204(4) 0.8375(3) 0.0322(11) Uani 1 1 d . . .
H2A H 1.2660 0.5901 0.8472 0.048 Uiso 1 1 calc R . .
H2B H 1.1804 0.4630 0.8010 0.048 Uiso 1 1 calc R . .
H2C H 1.1892 0.4934 0.8845 0.048 Uiso 1 1 calc R . .
C3 C 0.9553(4) 0.4351(4) 0.7895(3) 0.0361(12) Uani 1 1 d . . .
H3A H 0.8886 0.4524 0.7704 0.054 Uiso 1 1 calc R . .
H3B H 0.9548 0.4071 0.8361 0.054 Uiso 1 1 calc R . .
H3C H 0.9443 0.3774 0.7520 0.054 Uiso 1 1 calc R . .
C4 C 1.1282(4) 0.5559(3) 0.6600(2) 0.0244(10) Uani 1 1 d . . .
H4 H 1.2067 0.5577 0.6891 0.029 Uiso 1 1 calc R . .
C5 C 1.1506(4) 0.6268(4) 0.5981(3) 0.0342(11) Uani 1 1 d . . .
H5A H 1.2127 0.7053 0.6220 0.051 Uiso 1 1 calc R . .
H5B H 1.0744 0.6239 0.5668 0.051 Uiso 1 1 calc R . .
H5C H 1.1789 0.5958 0.5668 0.051 Uiso 1 1 calc R . .
C6 C 1.0300(4) 0.4294(4) 0.6246(3) 0.0360(12) Uani 1 1 d . . .
H6A H 1.0185 0.3872 0.6647 0.054 Uiso 1 1 calc R . .
H6B H 1.0575 0.3973 0.5933 0.054 Uiso 1 1 calc R . .
H6C H 0.9525 0.4246 0.5936 0.054 Uiso 1 1 calc R . .
C7 C 1.3843(4) 0.9218(4) 0.8873(2) 0.0251(10) Uani 1 1 d . . .
H7 H 1.4087 1.0001 0.9095 0.030 Uiso 1 1 calc R . .
C8 C 1.4948(4) 0.9252(4) 0.8746(3) 0.0367(12) Uani 1 1 d . . .
H8A H 1.5167 0.9749 0.8394 0.055 Uiso 1 1 calc R . .
H8B H 1.4737 0.8490 0.8536 0.055 Uiso 1 1 calc R . .
H8C H 1.5643 0.9539 0.9225 0.055 Uiso 1 1 calc R . .
C9 C 1.3485(4) 0.8448(4) 0.9442(2) 0.0348(11) Uani 1 1 d . . .
H9A H 1.2797 0.8454 0.9525 0.052 Uiso 1 1 calc R . .
H9B H 1.4183 0.8732 0.9920 0.052 Uiso 1 1 calc R . .
H9C H 1.3250 0.7675 0.9239 0.052 Uiso 1 1 calc R . .
C10 C 1.3005(4) 0.9696(4) 0.7347(2) 0.0278(10) Uani 1 1 d . . .
H10 H 1.3596 0.9549 0.7209 0.033 Uiso 1 1 calc R . .
C11 C 1.3685(4) 1.0969(4) 0.7728(3) 0.0379(12) Uani 1 1 d . . .
H11A H 1.4365 1.1118 0.8193 0.057 Uiso 1 1 calc R . .
H11B H 1.3116 1.1152 0.7843 0.057 Uiso 1 1 calc R . .
H11C H 1.4000 1.1436 0.7385 0.057 Uiso 1 1 calc R . .
C12 C 1.1912(4) 0.9432(4) 0.6605(3) 0.0378(12) Uani 1 1 d . . .
H12A H 1.1498 0.8631 0.6375 0.057 Uiso 1 1 calc R . .
H12B H 1.2215 0.9892 0.6257 0.057 Uiso 1 1 calc R . .
H12C H 1.1335 0.9607 0.6718 0.057 Uiso 1 1 calc R . .
C13 C 0.6256(4) 0.9762(3) 0.6646(2) 0.0269(10) Uani 1 1 d . . .
H13 H 0.5582 0.9735 0.6205 0.032 Uiso 1 1 calc R . .
C14 C 0.5684(4) 0.8695(4) 0.6982(3) 0.0346(11) Uani 1 1 d . . .
H14A H 0.5347 0.8015 0.6607 0.052 Uiso 1 1 calc R . .
H14B H 0.5031 0.8689 0.7118 0.052 Uiso 1 1 calc R . .
H14C H 0.6315 0.8713 0.7430 0.052 Uiso 1 1 calc R . .
C15 C 0.6795(4) 1.0873(4) 0.7232(3) 0.0334(11) Uani 1 1 d . . .
H15A H 0.7142 1.1530 0.7009 0.050 Uiso 1 1 calc R . .
H15B H 0.7435 1.0908 0.7682 0.050 Uiso 1 1 calc R . .
H15C H 0.6144 1.0870 0.7368 0.050 Uiso 1 1 calc R . .
C16 C 0.8084(4) 1.1073(3) 0.5977(2) 0.0265(10) Uani 1 1 d . . .
H16 H 0.8446 1.1707 0.6410 0.032 Uiso 1 1 calc R . .
C17 C 0.9112(4) 1.1182(4) 0.5709(3) 0.0319(11) Uani 1 1 d . . .
H17A H 0.9743 1.1128 0.6119 0.048 Uiso 1 1 calc R . .
H17B H 0.9474 1.1913 0.5562 0.048 Uiso 1 1 calc R . .
H17C H 0.8768 1.0575 0.5278 0.048 Uiso 1 1 calc R . .
C18 C 0.7070(4) 1.1173(4) 0.5317(3) 0.0394(12) Uani 1 1 d . . .
H18A H 0.6428 1.1115 0.5489 0.059 Uiso 1 1 calc R . .
H18B H 0.6716 1.0564 0.4885 0.059 Uiso 1 1 calc R . .
H18C H 0.7440 1.1903 0.5170 0.059 Uiso 1 1 calc R . .
C19 C 0.4795(4) 0.6700(4) 0.4571(2) 0.0292(11) Uani 1 1 d . . .
H19 H 0.4611 0.5920 0.4389 0.035 Uiso 1 1 calc R . .
C20 C 0.4665(5) 0.7291(4) 0.3876(3) 0.0414(13) Uani 1 1 d . . .
H20A H 0.5259 0.7343 0.3660 0.062 Uiso 1 1 calc R . .
H20B H 0.4819 0.8050 0.4039 0.062 Uiso 1 1 calc R . .
H20C H 0.3838 0.6848 0.3498 0.062 Uiso 1 1 calc R . .
C21 C 0.3856(4) 0.6603(4) 0.4925(3) 0.0370(12) Uani 1 1 d . . .
H21A H 0.3945 0.6230 0.5354 0.055 Uiso 1 1 calc R . .
H21B H 0.3026 0.6159 0.4549 0.055 Uiso 1 1 calc R . .
H21C H 0.4005 0.7359 0.5094 0.055 Uiso 1 1 calc R . .
C22 C 0.7402(4) 0.7503(4) 0.4815(3) 0.0317(11) Uani 1 1 d . . .
H22 H 0.7295 0.7909 0.4392 0.038 Uiso 1 1 calc R . .
C23 C 0.7095(5) 0.6298(4) 0.4466(3) 0.0405(12) Uani 1 1 d . . .
H23A H 0.6241 0.5884 0.4119 0.061 Uiso 1 1 calc R . .
H23B H 0.7225 0.5886 0.4868 0.061 Uiso 1 1 calc R . .
H23C H 0.7628 0.6373 0.4193 0.061 Uiso 1 1 calc R . .
C24 C 0.8766(4) 0.8194(4) 0.5364(3) 0.0337(11) Uani 1 1 d . . .
H24A H 0.8941 0.8943 0.5570 0.051 Uiso 1 1 calc R . .
H24B H 0.9300 0.8271 0.5090 0.051 Uiso 1 1 calc R . .
H24C H 0.8913 0.7800 0.5774 0.051 Uiso 1 1 calc R . .
C25 C 0.9917(4) 0.7412(4) 1.0142(2) 0.0248(10) Uani 1 1 d . . .
H25 H 0.9786 0.6968 1.0545 0.030 Uiso 1 1 calc R . .
C26 C 1.0112(4) 0.6742(4) 0.9572(2) 0.0283(10) Uani 1 1 d . . .
H26A H 0.9370 0.6011 0.9338 0.042 Uiso 1 1 calc R . .
H26B H 1.0798 0.6622 0.9838 0.042 Uiso 1 1 calc R . .
H26C H 1.0288 0.7173 0.9184 0.042 Uiso 1 1 calc R . .
C27 C 1.1087(4) 0.8585(4) 1.0530(3) 0.0322(11) Uani 1 1 d . . .
H27A H 1.0946 0.8986 1.0886 0.048 Uiso 1 1 calc R . .
H27B H 1.1268 0.9029 1.0148 0.048 Uiso 1 1 calc R . .
H27C H 1.1778 0.8472 1.0799 0.048 Uiso 1 1 calc R . .
C28 C 0.8358(4) 0.8306(3) 1.0416(2) 0.0200(9) Uani 1 1 d . . .
H28 H 0.9078 0.9085 1.0585 0.024 Uiso 1 1 calc R . .
C29 C 0.7190(4) 0.8406(4) 1.0065(2) 0.0261(10) Uani 1 1 d . . .
H29A H 0.7225 0.8767 0.9630 0.039 Uiso 1 1 calc R . .
H29B H 0.7137 0.8863 1.0439 0.039 Uiso 1 1 calc R . .
H29C H 0.6471 0.7653 0.9904 0.039 Uiso 1 1 calc R . .
C30 C 0.8349(4) 0.7736(4) 1.1121(2) 0.0308(11) Uani 1 1 d . . .
H30A H 0.9100 0.7691 1.1333 0.046 Uiso 1 1 calc R . .
H30B H 0.7642 0.6975 1.0970 0.046 Uiso 1 1 calc R . .
H30C H 0.8299 0.8187 1.1500 0.046 Uiso 1 1 calc R . .
C31 C 0.4960(4) 0.5332(3) 0.8271(2) 0.0224(9) Uani 1 1 d . . .
H31 H 0.4701 0.5374 0.8701 0.027 Uiso 1 1 calc R . .
C32 C 0.5142(4) 0.6409(3) 0.7926(2) 0.0275(10) Uani 1 1 d . . .
H32A H 0.5789 0.7085 0.8305 0.041 Uiso 1 1 calc R . .
H32B H 0.4379 0.6438 0.7764 0.041 Uiso 1 1 calc R . .
H32C H 0.5372 0.6377 0.7492 0.041 Uiso 1 1 calc R . .
C33 C 0.3924(4) 0.4240(4) 0.7678(2) 0.0298(10) Uani 1 1 d . . .
H33A H 0.3814 0.3577 0.7904 0.045 Uiso 1 1 calc R . .
H33B H 0.4148 0.4190 0.7244 0.045 Uiso 1 1 calc R . .
H33C H 0.3160 0.4268 0.7514 0.045 Uiso 1 1 calc R . .
C34 C 0.6053(4) 0.3920(3) 0.8919(2) 0.0231(9) Uani 1 1 d . . .
H34 H 0.5446 0.3325 0.8458 0.028 Uiso 1 1 calc R . .
C35 C 0.5443(4) 0.3751(4) 0.9517(3) 0.0317(11) Uani 1 1 d . . .
H35A H 0.4722 0.3847 0.9321 0.048 Uiso 1 1 calc R . .
H35B H 0.6028 0.4310 0.9980 0.048 Uiso 1 1 calc R . .
H35C H 0.5199 0.2991 0.9622 0.048 Uiso 1 1 calc R . .
C36 C 0.7195(4) 0.3759(4) 0.9207(3) 0.0313(11) Uani 1 1 d . . .
H36A H 0.7553 0.3858 0.8822 0.047 Uiso 1 1 calc R . .
H36B H 0.6952 0.2999 0.9313 0.047 Uiso 1 1 calc R . .
H36C H 0.7797 0.4319 0.9667 0.047 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 0.0000 0.0000 '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'
P P 0.1023 0.0942 '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
_geom_angle_publ_flag
S4 La1 S5 124.64(3) . . ?
S4 La1 S2 151.61(3) . . ?
S5 La1 S2 77.74(3) . . ?
S4 La1 S6 76.92(3) . . ?
S5 La1 S6 85.79(3) . . ?
S2 La1 S6 126.06(3) . . ?
S4 La1 S3 86.85(3) . . ?
S5 La1 S3 77.98(3) . . ?
S2 La1 S3 80.93(3) . . ?
S6 La1 S3 144.73(3) . . ?
S4 La1 S1 81.38(3) . . ?
S5 La1 S1 147.87(3) . . ?
S2 La1 S1 85.41(3) . . ?
S6 La1 S1 82.32(3) . . ?
S3 La1 S1 126.34(3) . . ?
P1 S1 La1 115.99(5) . . ?
P2 S2 La1 121.31(5) . . ?
P3 S3 La1 118.17(5) . . ?
P4 S4 La1 115.72(5) . . ?
P5 S5 La1 117.16(5) . . ?
P6 S6 La1 118.51(5) . . ?
N1 P1 C4 103.54(18) . . ?
N1 P1 C1 108.16(19) . . ?
C4 P1 C1 108.95(19) . . ?
N1 P1 S1 118.79(13) . . ?
C4 P1 S1 107.72(15) . . ?
C1 P1 S1 109.26(14) . . ?
N1 P2 C10 108.51(19) . . ?
N1 P2 C7 107.10(18) . . ?
C10 P2 C7 106.18(19) . . ?
N1 P2 S2 120.38(13) . . ?
C10 P2 S2 108.67(15) . . ?
C7 P2 S2 105.11(14) . . ?
N2 P3 C16 106.39(19) . . ?
N2 P3 C13 108.65(19) . . ?
C16 P3 C13 106.00(19) . . ?
N2 P3 S3 119.75(13) . . ?
C16 P3 S3 106.17(15) . . ?
C13 P3 S3 109.03(15) . . ?
N2 P4 C19 107.34(18) . . ?
N2 P4 C22 108.89(19) . . ?
C19 P4 C22 106.8(2) . . ?
N2 P4 S4 117.82(13) . . ?
C19 P4 S4 106.02(15) . . ?
C22 P4 S4 109.38(15) . . ?
N3 P5 C28 107.14(18) . . ?
N3 P5 C25 108.45(18) . . ?
C28 P5 C25 107.15(19) . . ?
N3 P5 S5 117.92(13) . . ?
C28 P5 S5 105.35(13) . . ?
C25 P5 S5 110.26(14) . . ?
N3 P6 C34 106.61(18) . . ?
N3 P6 C31 109.32(18) . . ?
C34 P6 C31 105.30(18) . . ?
N3 P6 S6 119.64(13) . . ?
C34 P6 S6 106.00(14) . . ?
C31 P6 S6 108.99(14) . . ?
P2 N1 P1 138.4(2) . . ?
P3 N2 P4 140.1(2) . . ?
P6 N3 P5 137.9(2) . . ?
C3 C1 C2 111.1(3) . . ?
C3 C1 P1 116.6(3) . . ?
C2 C1 P1 111.7(3) . . ?
C5 C4 C6 111.4(4) . . ?
C5 C4 P1 110.0(3) . . ?
C6 C4 P1 113.6(3) . . ?
C8 C7 C9 110.8(4) . . ?
C8 C7 P2 112.5(3) . . ?
C9 C7 P2 109.7(3) . . ?
C11 C10 C12 110.7(4) . . ?
C11 C10 P2 113.1(3) . . ?
C12 C10 P2 110.6(3) . . ?
C14 C13 C15 110.8(3) . . ?
C14 C13 P3 110.4(3) . . ?
C15 C13 P3 113.4(3) . . ?
C17 C16 C18 109.5(4) . . ?
C17 C16 P3 111.5(3) . . ?
C18 C16 P3 110.2(3) . . ?
C21 C19 C20 110.5(4) . . ?
C21 C19 P4 110.3(3) . . ?
C20 C19 P4 111.6(3) . . ?
C24 C22 C23 110.8(4) . . ?
C24 C22 P4 110.8(3) . . ?
C23 C22 P4 113.0(3) . . ?
C26 C25 C27 110.9(3) . . ?
C26 C25 P5 111.1(3) . . ?
C27 C25 P5 113.0(3) . . ?
C29 C28 C30 111.4(3) . . ?
C29 C28 P5 109.2(3) . . ?
C30 C28 P5 112.0(3) . . ?
C33 C31 C32 110.5(3) . . ?
C33 C31 P6 112.4(3) . . ?
C32 C31 P6 110.0(3) . . ?
C36 C34 C35 110.9(3) . . ?
C36 C34 P6 111.3(3) . . ?
C35 C34 P6 111.3(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
La1 S4 2.8640(11) . ?
La1 S5 2.8652(11) . ?
La1 S2 2.8934(11) . ?
La1 S6 2.9015(11) . ?
La1 S3 2.9095(11) . ?
La1 S1 2.9162(11) . ?
S1 P1 2.0174(15) . ?
S2 P2 2.0159(15) . ?
S3 P3 2.0255(15) . ?
S4 P4 2.0250(15) . ?
S5 P5 2.0257(15) . ?
S6 P6 2.0239(15) . ?
P1 N1 1.594(3) . ?
P1 C4 1.832(4) . ?
P1 C1 1.841(4) . ?
P2 N1 1.586(3) . ?
P2 C10 1.818(4) . ?
P2 C7 1.834(4) . ?
P3 N2 1.583(3) . ?
P3 C16 1.820(4) . ?
P3 C13 1.830(4) . ?
P4 N2 1.587(3) . ?
P4 C19 1.815(4) . ?
P4 C22 1.819(4) . ?
P5 N3 1.591(3) . ?
P5 C28 1.825(4) . ?
P5 C25 1.832(4) . ?
P6 N3 1.590(3) . ?
P6 C34 1.828(4) . ?
P6 C31 1.838(4) . ?
C1 C3 1.527(6) . ?
C1 C2 1.537(6) . ?
C4 C5 1.530(6) . ?
C4 C6 1.534(6) . ?
C7 C8 1.513(6) . ?
C7 C9 1.532(6) . ?
C10 C11 1.531(6) . ?
C10 C12 1.529(6) . ?
C13 C14 1.531(6) . ?
C13 C15 1.543(6) . ?
C16 C17 1.524(6) . ?
C16 C18 1.553(6) . ?
C19 C21 1.528(6) . ?
C19 C20 1.541(6) . ?
C22 C24 1.532(6) . ?
C22 C23 1.540(6) . ?
C25 C26 1.534(6) . ?
C25 C27 1.534(6) . ?
C28 C29 1.519(5) . ?
C28 C30 1.544(5) . ?
C31 C33 1.533(6) . ?
C31 C32 1.538(5) . ?
C34 C36 1.524(5) . ?
C34 C35 1.537(5) . ?
