#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:49:25 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179079 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/41/4304147.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_4304147
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 Se6'
_chemical_formula_weight         1357.55
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 114.051(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.156(4)
_cell_length_b                   13.517(2)
_cell_length_c                   20.325(4)
_cell_measurement_temperature    141(2)
_cell_volume                     5558.5(17)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.1303
_diffrn_reflns_av_sigmaI/netI    0.1204
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            42689
_diffrn_reflns_theta_full        23.29
_diffrn_reflns_theta_max         23.29
_diffrn_reflns_theta_min         1.81
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.897
_exptl_absorpt_correction_T_max  0.9084
_exptl_absorpt_correction_T_min  0.4727
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.03 (Sheldrick, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular plate'
_exptl_crystal_F_000             2688
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.201
_refine_diff_density_min         -0.984
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.834
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         7997
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.834
_refine_ls_R_factor_all          0.0904
_refine_ls_R_factor_gt           0.0457
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0501P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0932
_refine_ls_wR_factor_ref         0.1021
_reflns_number_gt                4624
_reflns_number_total             7997
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701618a_si_13.cif
_cod_data_source_block           apx159a
_cod_original_cell_volume        5558.4(17)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4304147
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
La1 La 0.25829(3) 0.11100(4) 0.23020(3) 0.02255(15) Uani 1 1 d . . .
Se1 Se 0.28205(5) -0.08219(6) 0.16649(5) 0.0274(2) Uani 1 1 d . . .
Se2 Se 0.21282(5) -0.00913(6) 0.32628(5) 0.0256(2) Uani 1 1 d . . .
Se3 Se 0.24761(4) 0.20415(7) 0.09280(5) 0.0258(2) Uani 1 1 d . . .
Se4 Se 0.12036(4) 0.18769(6) 0.20034(5) 0.0257(2) Uani 1 1 d . . .
Se5 Se 0.40300(4) 0.14841(6) 0.26479(5) 0.0266(2) Uani 1 1 d . . .
Se6 Se 0.27151(4) 0.24077(6) 0.35423(5) 0.0247(2) Uani 1 1 d . . .
P1 P 0.28468(12) -0.21421(16) 0.23046(12) 0.0237(6) Uani 1 1 d . . .
P2 P 0.18579(12) -0.16063(16) 0.29022(13) 0.0242(6) Uani 1 1 d . . .
P3 P 0.14776(12) 0.24188(17) 0.01613(12) 0.0239(6) Uani 1 1 d . . .
P4 P 0.08382(11) 0.29943(17) 0.11562(12) 0.0237(6) Uani 1 1 d . . .
P5 P 0.44708(12) 0.27191(16) 0.33883(13) 0.0257(6) Uani 1 1 d . . .
P6 P 0.37268(11) 0.26144(16) 0.43326(12) 0.0230(6) Uani 1 1 d . . .
N1 N 0.2347(3) -0.2246(5) 0.2670(4) 0.0241(18) Uani 1 1 d . . .
N2 N 0.0960(3) 0.2850(5) 0.0442(3) 0.0232(18) Uani 1 1 d . . .
N3 N 0.4273(3) 0.2919(5) 0.4047(4) 0.0269(18) Uani 1 1 d . . .
C1 C 0.2679(4) -0.3212(6) 0.1707(4) 0.025(2) Uani 1 1 d . . .
H1 H 0.2704 -0.3797 0.2002 0.030 Uiso 1 1 calc R . .
C2 C 0.1980(4) -0.3177(6) 0.1124(5) 0.037(3) Uani 1 1 d . . .
H2A H 0.1673 -0.3067 0.1341 0.055 Uiso 1 1 calc R . .
H2B H 0.1880 -0.3794 0.0867 0.055 Uiso 1 1 calc R . .
H2C H 0.1945 -0.2648 0.0795 0.055 Uiso 1 1 calc R . .
C3 C 0.3188(4) -0.3361(6) 0.1380(5) 0.032(2) Uani 1 1 d . . .
H3A H 0.3616 -0.3481 0.1758 0.049 Uiso 1 1 calc R . .
H3B H 0.3206 -0.2778 0.1118 0.049 Uiso 1 1 calc R . .
H3C H 0.3061 -0.3917 0.1058 0.049 Uiso 1 1 calc R . .
C4 C 0.3691(4) -0.2302(6) 0.2970(4) 0.029(2) Uani 1 1 d . . .
H4 H 0.3984 -0.2326 0.2717 0.035 Uiso 1 1 calc R . .
C5 C 0.3764(4) -0.3275(6) 0.3380(5) 0.037(3) Uani 1 1 d . . .
H5A H 0.3695 -0.3820 0.3054 0.056 Uiso 1 1 calc R . .
H5B H 0.3444 -0.3300 0.3585 0.056 Uiso 1 1 calc R . .
H5C H 0.4201 -0.3315 0.3758 0.056 Uiso 1 1 calc R . .
C6 C 0.3901(4) -0.1442(6) 0.3490(5) 0.037(3) Uani 1 1 d . . .
H6A H 0.3880 -0.0841 0.3229 0.056 Uiso 1 1 calc R . .
H6B H 0.4345 -0.1545 0.3838 0.056 Uiso 1 1 calc R . .
H6C H 0.3610 -0.1392 0.3732 0.056 Uiso 1 1 calc R . .
C7 C 0.1031(4) -0.1625(6) 0.2177(5) 0.031(2) Uani 1 1 d . . .
H7 H 0.0921 -0.2317 0.2033 0.037 Uiso 1 1 calc R . .
C8 C 0.0503(4) -0.1227(7) 0.2430(5) 0.043(3) Uani 1 1 d . . .
H8A H 0.0426 -0.1709 0.2734 0.064 Uiso 1 1 calc R . .
H8B H 0.0098 -0.1103 0.2018 0.064 Uiso 1 1 calc R . .
H8C H 0.0658 -0.0624 0.2694 0.064 Uiso 1 1 calc R . .
C9 C 0.0993(4) -0.1065(6) 0.1526(4) 0.029(2) Uani 1 1 d . . .
H9A H 0.1330 -0.1299 0.1382 0.044 Uiso 1 1 calc R . .
H9B H 0.1057 -0.0373 0.1638 0.044 Uiso 1 1 calc R . .
H9C H 0.0566 -0.1165 0.1140 0.044 Uiso 1 1 calc R . .
C10 C 0.1806(4) -0.2244(6) 0.3673(5) 0.029(2) Uani 1 1 d . . .
H10 H 0.1495 -0.1875 0.3811 0.034 Uiso 1 1 calc R . .
C11 C 0.1534(5) -0.3310(6) 0.3473(5) 0.044(3) Uani 1 1 d . . .
H11A H 0.1091 -0.3283 0.3108 0.065 Uiso 1 1 calc R . .
H11B H 0.1534 -0.3635 0.3893 0.065 Uiso 1 1 calc R . .
H11C H 0.1809 -0.3672 0.3295 0.065 Uiso 1 1 calc R . .
C12 C 0.2462(4) -0.2271(6) 0.4318(5) 0.039(3) Uani 1 1 d . . .
H12A H 0.2626 -0.1609 0.4443 0.059 Uiso 1 1 calc R . .
H12B H 0.2773 -0.2652 0.4204 0.059 Uiso 1 1 calc R . .
H12C H 0.2406 -0.2569 0.4718 0.059 Uiso 1 1 calc R . .
C13 C 0.1106(4) 0.1337(6) -0.0388(5) 0.029(2) Uani 1 1 d . . .
H13 H 0.0667 0.1534 -0.0738 0.035 Uiso 1 1 calc R . .
C14 C 0.1006(4) 0.0517(6) 0.0079(5) 0.037(3) Uani 1 1 d . . .
H14A H 0.0791 0.0786 0.0365 0.055 Uiso 1 1 calc R . .
H14B H 0.1428 0.0249 0.0390 0.055 Uiso 1 1 calc R . .
H14C H 0.0737 0.0002 -0.0225 0.055 Uiso 1 1 calc R . .
C15 C 0.1494(5) 0.0959(6) -0.0820(5) 0.039(3) Uani 1 1 d . . .
H15A H 0.1523 0.1476 -0.1130 0.058 Uiso 1 1 calc R . .
H15B H 0.1269 0.0400 -0.1106 0.058 Uiso 1 1 calc R . .
H15C H 0.1931 0.0766 -0.0493 0.058 Uiso 1 1 calc R . .
C16 C 0.1565(4) 0.3353(6) -0.0437(4) 0.025(2) Uani 1 1 d . . .
H16 H 0.1893 0.3118 -0.0608 0.030 Uiso 1 1 calc R . .
C17 C 0.0911(4) 0.3517(6) -0.1097(4) 0.035(3) Uani 1 1 d . . .
H17A H 0.0792 0.2923 -0.1380 0.052 Uiso 1 1 calc R . .
H17B H 0.0963 0.4048 -0.1383 0.052 Uiso 1 1 calc R . .
H17C H 0.0569 0.3683 -0.0940 0.052 Uiso 1 1 calc R . .
C18 C 0.1824(4) 0.4318(6) -0.0019(5) 0.031(2) Uani 1 1 d . . .
H18A H 0.2227 0.4189 0.0394 0.047 Uiso 1 1 calc R . .
H18B H 0.1501 0.4579 0.0137 0.047 Uiso 1 1 calc R . .
H18C H 0.1906 0.4791 -0.0325 0.047 Uiso 1 1 calc R . .
C19 C 0.1128(4) 0.4232(6) 0.1541(5) 0.027(2) Uani 1 1 d . . .
H19 H 0.0978 0.4708 0.1143 0.032 Uiso 1 1 calc R . .
C20 C 0.0838(4) 0.4546(6) 0.2072(5) 0.035(3) Uani 1 1 d . . .
H20A H 0.0372 0.4658 0.1817 0.052 Uiso 1 1 calc R . .
H20B H 0.1048 0.5144 0.2310 0.052 Uiso 1 1 calc R . .
H20C H 0.0910 0.4033 0.2422 0.052 Uiso 1 1 calc R . .
C21 C 0.1882(4) 0.4270(6) 0.1893(4) 0.028(2) Uani 1 1 d . . .
H21A H 0.2053 0.4122 0.1540 0.042 Uiso 1 1 calc R . .
H21B H 0.2044 0.3793 0.2275 0.042 Uiso 1 1 calc R . .
H21C H 0.2022 0.4920 0.2085 0.042 Uiso 1 1 calc R . .
C22 C -0.0049(4) 0.3010(6) 0.0859(4) 0.028(2) Uani 1 1 d . . .
H22 H -0.0142 0.3136 0.1284 0.034 Uiso 1 1 calc R . .
C23 C -0.0358(4) 0.2026(6) 0.0550(4) 0.033(2) Uani 1 1 d . . .
H23A H -0.0164 0.1515 0.0901 0.049 Uiso 1 1 calc R . .
H23B H -0.0283 0.1884 0.0127 0.049 Uiso 1 1 calc R . .
H23C H -0.0825 0.2053 0.0425 0.049 Uiso 1 1 calc R . .
C24 C -0.0367(4) 0.3837(6) 0.0325(5) 0.036(3) Uani 1 1 d . . .
H24A H -0.0212 0.4464 0.0554 0.055 Uiso 1 1 calc R . .
H24B H -0.0839 0.3803 0.0163 0.055 Uiso 1 1 calc R . .
H24C H -0.0252 0.3769 -0.0080 0.055 Uiso 1 1 calc R . .
C25 C 0.5353(4) 0.2495(6) 0.3772(4) 0.025(2) Uani 1 1 d . . .
H25 H 0.5491 0.2396 0.3376 0.029 Uiso 1 1 calc R . .
C26 C 0.5539(4) 0.1562(6) 0.4250(4) 0.028(2) Uani 1 1 d . . .
H26A H 0.5309 0.1001 0.3971 0.042 Uiso 1 1 calc R . .
H26B H 0.5418 0.1652 0.4648 0.042 Uiso 1 1 calc R . .
H26C H 0.6007 0.1453 0.4427 0.042 Uiso 1 1 calc R . .
C27 C 0.5740(4) 0.3385(6) 0.4226(5) 0.038(3) Uani 1 1 d . . .
H27A H 0.5702 0.3937 0.3915 0.056 Uiso 1 1 calc R . .
H27B H 0.6197 0.3209 0.4478 0.056 Uiso 1 1 calc R . .
H27C H 0.5560 0.3561 0.4568 0.056 Uiso 1 1 calc R . .
C28 C 0.4341(4) 0.3862(6) 0.2852(5) 0.027(2) Uani 1 1 d . . .
H28 H 0.4526 0.4405 0.3196 0.033 Uiso 1 1 calc R . .
C29 C 0.3607(4) 0.4067(6) 0.2458(5) 0.032(2) Uani 1 1 d . . .
H29A H 0.3396 0.3990 0.2785 0.048 Uiso 1 1 calc R . .
H29B H 0.3417 0.3610 0.2066 0.048 Uiso 1 1 calc R . .
H29C H 0.3542 0.4731 0.2274 0.048 Uiso 1 1 calc R . .
C30 C 0.4699(5) 0.3871(6) 0.2357(5) 0.040(3) Uani 1 1 d . . .
H30A H 0.5164 0.3790 0.2636 0.061 Uiso 1 1 calc R . .
H30B H 0.4620 0.4489 0.2103 0.061 Uiso 1 1 calc R . .
H30C H 0.4539 0.3338 0.2017 0.061 Uiso 1 1 calc R . .
C31 C 0.3999(4) 0.1519(6) 0.4914(5) 0.027(2) Uani 1 1 d . . .
H31 H 0.4448 0.1657 0.5271 0.032 Uiso 1 1 calc R . .
C32 C 0.4046(4) 0.0633(6) 0.4490(5) 0.032(2) Uani 1 1 d . . .
H32A H 0.4271 0.0815 0.4192 0.048 Uiso 1 1 calc R . .
H32B H 0.3610 0.0402 0.4192 0.048 Uiso 1 1 calc R . .
H32C H 0.4287 0.0117 0.4815 0.048 Uiso 1 1 calc R . .
C33 C 0.3580(5) 0.1302(6) 0.5329(5) 0.036(3) Uani 1 1 d . . .
H33A H 0.3573 0.1872 0.5607 0.055 Uiso 1 1 calc R . .
H33B H 0.3764 0.0751 0.5646 0.055 Uiso 1 1 calc R . .
H33C H 0.3138 0.1145 0.4997 0.055 Uiso 1 1 calc R . .
C34 C 0.3679(4) 0.3622(6) 0.4907(4) 0.025(2) Uani 1 1 d . . .
H34 H 0.3336 0.3451 0.5075 0.030 Uiso 1 1 calc R . .
C35 C 0.4319(5) 0.3763(6) 0.5565(5) 0.043(3) Uani 1 1 d . . .
H35A H 0.4445 0.3150 0.5823 0.064 Uiso 1 1 calc R . .
H35B H 0.4258 0.4258 0.5872 0.064 Uiso 1 1 calc R . .
H35C H 0.4659 0.3972 0.5418 0.064 Uiso 1 1 calc R . .
C36 C 0.3464(4) 0.4564(6) 0.4466(5) 0.037(3) Uani 1 1 d . . .
H36A H 0.3073 0.4436 0.4039 0.056 Uiso 1 1 calc R . .
H36B H 0.3811 0.4784 0.4333 0.056 Uiso 1 1 calc R . .
H36C H 0.3374 0.5067 0.4747 0.056 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'
Se Se -0.0929 2.2259 '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
Se3 La1 Se6 119.04(3) . . ?
Se3 La1 Se2 156.16(3) . . ?
Se6 La1 Se2 73.31(3) . . ?
Se3 La1 Se5 79.61(3) . . ?
Se6 La1 Se5 88.61(3) . . ?
Se2 La1 Se5 122.76(3) . . ?
Se3 La1 Se4 88.82(3) . . ?
Se6 La1 Se4 73.35(3) . . ?
Se2 La1 Se4 74.87(3) . . ?
Se5 La1 Se4 150.47(3) . . ?
Se3 La1 Se1 85.73(3) . . ?
Se6 La1 Se1 152.33(3) . . ?
Se2 La1 Se1 88.56(3) . . ?
Se5 La1 Se1 83.81(3) . . ?
Se4 La1 Se1 122.62(3) . . ?
P1 Se1 La1 114.30(7) . . ?
P2 Se2 La1 114.08(7) . . ?
P3 Se3 La1 115.92(7) . . ?
P4 Se4 La1 114.35(7) . . ?
P5 Se5 La1 114.79(7) . . ?
P6 Se6 La1 114.53(7) . . ?
N1 P1 C1 104.6(4) . . ?
N1 P1 C4 110.3(4) . . ?
C1 P1 C4 105.6(4) . . ?
N1 P1 Se1 119.9(3) . . ?
C1 P1 Se1 107.5(3) . . ?
C4 P1 Se1 108.0(3) . . ?
N1 P2 C10 106.5(4) . . ?
N1 P2 C7 109.4(4) . . ?
C10 P2 C7 107.0(4) . . ?
N1 P2 Se2 118.8(3) . . ?
C10 P2 Se2 105.0(3) . . ?
C7 P2 Se2 109.5(3) . . ?
N2 P3 C16 105.9(4) . . ?
N2 P3 C13 107.7(4) . . ?
C16 P3 C13 107.1(4) . . ?
N2 P3 Se3 120.0(3) . . ?
C16 P3 Se3 106.7(3) . . ?
C13 P3 Se3 108.8(3) . . ?
N2 P4 C22 105.2(4) . . ?
N2 P4 C19 109.7(4) . . ?
C22 P4 C19 105.9(4) . . ?
N2 P4 Se4 119.2(3) . . ?
C22 P4 Se4 106.0(3) . . ?
C19 P4 Se4 109.8(3) . . ?
N3 P5 C25 106.6(4) . . ?
N3 P5 C28 108.9(4) . . ?
C25 P5 C28 106.0(4) . . ?
N3 P5 Se5 120.5(3) . . ?
C25 P5 Se5 105.6(3) . . ?
C28 P5 Se5 108.3(3) . . ?
N3 P6 C34 106.9(4) . . ?
N3 P6 C31 110.1(4) . . ?
C34 P6 C31 106.2(4) . . ?
N3 P6 Se6 118.0(3) . . ?
C34 P6 Se6 104.9(3) . . ?
C31 P6 Se6 109.9(3) . . ?
P1 N1 P2 141.6(4) . . ?
P3 N2 P4 142.1(5) . . ?
P6 N3 P5 140.5(5) . . ?
C2 C1 C3 111.1(7) . . ?
C2 C1 P1 111.2(6) . . ?
C3 C1 P1 113.8(6) . . ?
C6 C4 C5 110.3(7) . . ?
C6 C4 P1 111.0(6) . . ?
C5 C4 P1 110.9(6) . . ?
C9 C7 C8 109.8(7) . . ?
C9 C7 P2 112.6(6) . . ?
C8 C7 P2 111.8(6) . . ?
C12 C10 C11 109.8(7) . . ?
C12 C10 P2 112.4(6) . . ?
C11 C10 P2 111.5(6) . . ?
C14 C13 C15 111.5(7) . . ?
C14 C13 P3 110.2(6) . . ?
C15 C13 P3 113.4(6) . . ?
C17 C16 C18 111.6(7) . . ?
C17 C16 P3 111.4(6) . . ?
C18 C16 P3 109.8(6) . . ?
C20 C19 C21 110.9(7) . . ?
C20 C19 P4 112.1(6) . . ?
C21 C19 P4 110.8(6) . . ?
C23 C22 C24 110.6(7) . . ?
C23 C22 P4 112.1(6) . . ?
C24 C22 P4 111.9(6) . . ?
C26 C25 C27 108.6(7) . . ?
C26 C25 P5 111.9(6) . . ?
C27 C25 P5 111.4(6) . . ?
C30 C28 C29 112.7(7) . . ?
C30 C28 P5 113.6(6) . . ?
C29 C28 P5 109.9(6) . . ?
C32 C31 C33 111.5(7) . . ?
C32 C31 P6 110.7(6) . . ?
C33 C31 P6 113.5(6) . . ?
C35 C34 C36 111.8(7) . . ?
C35 C34 P6 112.5(6) . . ?
C36 C34 P6 109.5(6) . . ?
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 Se3 2.9833(11) . ?
La1 Se6 2.9859(11) . ?
La1 Se2 3.0115(10) . ?
La1 Se5 3.0319(12) . ?
La1 Se4 3.0446(12) . ?
La1 Se1 3.0543(11) . ?
Se1 P1 2.195(2) . ?
Se2 P2 2.175(2) . ?
Se3 P3 2.185(3) . ?
Se4 P4 2.183(2) . ?
Se5 P5 2.193(2) . ?
Se6 P6 2.179(2) . ?
P1 N1 1.571(7) . ?
P1 C1 1.826(8) . ?
P1 C4 1.821(9) . ?
P2 N1 1.600(7) . ?
P2 C10 1.831(8) . ?
P2 C7 1.825(9) . ?
P3 N2 1.584(7) . ?
P3 C16 1.817(8) . ?
P3 C13 1.819(8) . ?
P4 N2 1.594(7) . ?
P4 C22 1.806(9) . ?
P4 C19 1.848(8) . ?
P5 N3 1.594(7) . ?
P5 C25 1.810(8) . ?
P5 C28 1.844(8) . ?
P6 N3 1.594(7) . ?
P6 C34 1.825(8) . ?
P6 C31 1.837(8) . ?
C1 C2 1.519(11) . ?
C1 C3 1.541(11) . ?
C4 C6 1.511(11) . ?
C4 C5 1.528(11) . ?
C7 C9 1.496(11) . ?
C7 C8 1.554(11) . ?
C10 C12 1.510(11) . ?
C10 C11 1.551(11) . ?
C13 C14 1.534(11) . ?
C13 C15 1.545(11) . ?
C16 C17 1.538(11) . ?
C16 C18 1.534(11) . ?
C19 C20 1.524(11) . ?
C19 C21 1.525(11) . ?
C22 C23 1.511(11) . ?
C22 C24 1.518(11) . ?
C25 C26 1.542(11) . ?
C25 C27 1.546(11) . ?
C28 C30 1.516(11) . ?
C28 C29 1.517(11) . ?
C31 C32 1.504(10) . ?
C31 C33 1.516(11) . ?
C34 C35 1.513(11) . ?
C34 C36 1.518(11) . ?
