#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:49:25 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179079 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/41/4304149.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_4304149
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 N3 P6 Pu Te6'
_chemical_formula_weight         1752.48
_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                 113.6330(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.348(2)
_cell_length_b                   13.7485(15)
_cell_length_c                   20.723(2)
_cell_measurement_temperature    141(2)
_cell_volume                     5833.2(10)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.1375
_diffrn_reflns_av_sigmaI/netI    0.1006
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            49226
_diffrn_reflns_theta_full        23.75
_diffrn_reflns_theta_max         23.75
_diffrn_reflns_theta_min         0.99
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.262
_exptl_absorpt_correction_T_max  0.7841
_exptl_absorpt_correction_T_min  0.6288
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.03 (Sheldrick, 2001)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.996
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             3268
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.392
_refine_diff_density_min         -1.663
_refine_diff_density_rms         0.245
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         8876
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1084
_refine_ls_R_factor_gt           0.0484
_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)+(0.0459P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0882
_refine_ls_wR_factor_ref         0.1084
_reflns_number_gt                5604
_reflns_number_total             8876
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701618a_si_15.cif
_cod_data_source_block           apx313a
_cod_original_cell_volume        5833.0(11)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4304149
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
Pu1 Pu 0.24559(2) 0.39827(4) 0.27002(2) 0.01619(14) Uani 1 1 d . . .
Te1 Te 0.22118(4) 0.58875(6) 0.34029(4) 0.0221(2) Uani 1 1 d . . .
Te2 Te 0.28694(4) 0.52004(6) 0.16785(4) 0.0204(2) Uani 1 1 d . . .
Te3 Te 0.09614(4) 0.37054(6) 0.23764(4) 0.0209(2) Uani 1 1 d . . .
Te4 Te 0.23420(4) 0.26139(6) 0.14680(4) 0.0188(2) Uani 1 1 d . . .
Te5 Te 0.25239(4) 0.30674(7) 0.40916(4) 0.0216(2) Uani 1 1 d . . .
Te6 Te 0.38910(4) 0.32814(6) 0.29932(4) 0.0200(2) Uani 1 1 d . . .
P1 P 0.21532(17) 0.7319(2) 0.26845(17) 0.0181(8) Uani 1 1 d . . .
P2 P 0.31398(17) 0.6861(3) 0.20830(17) 0.0198(8) Uani 1 1 d . . .
P3 P 0.05004(17) 0.2318(2) 0.15908(17) 0.0181(8) Uani 1 1 d . . .
P4 P 0.12182(17) 0.2423(3) 0.06403(17) 0.0191(8) Uani 1 1 d . . .
P5 P 0.36245(16) 0.2597(3) 0.48870(17) 0.0178(8) Uani 1 1 d . . .
P6 P 0.42479(16) 0.2024(2) 0.38922(16) 0.0164(8) Uani 1 1 d . . .
N1 N 0.2651(5) 0.7467(7) 0.2313(5) 0.016(2) Uani 1 1 d . . .
N2 N 0.0682(5) 0.2144(7) 0.0949(5) 0.024(3) Uani 1 1 d . . .
N3 N 0.4120(5) 0.2149(7) 0.4586(5) 0.018(3) Uani 1 1 d . . .
C1 C 0.2298(6) 0.8374(9) 0.3259(6) 0.023(3) Uani 1 1 d . . .
H1 H 0.2265 0.8950 0.2968 0.027 Uiso 1 1 calc R . .
C2 C 0.1786(6) 0.8494(9) 0.3581(7) 0.022(3) Uani 1 1 d . . .
H2A H 0.1356 0.8507 0.3211 0.033 Uiso 1 1 calc R . .
H2B H 0.1865 0.9091 0.3842 0.033 Uiso 1 1 calc R . .
H2C H 0.1819 0.7958 0.3891 0.033 Uiso 1 1 calc R . .
C3 C 0.2983(6) 0.8367(10) 0.3834(7) 0.028(4) Uani 1 1 d . . .
H3A H 0.3296 0.8309 0.3626 0.042 Uiso 1 1 calc R . .
H3B H 0.3029 0.7826 0.4144 0.042 Uiso 1 1 calc R . .
H3C H 0.3059 0.8962 0.4098 0.042 Uiso 1 1 calc R . .
C4 C 0.1323(6) 0.7436(9) 0.2014(6) 0.024(3) Uani 1 1 d . . .
H4 H 0.1027 0.7424 0.2258 0.029 Uiso 1 1 calc R . .
C5 C 0.1220(7) 0.8407(10) 0.1626(7) 0.037(4) Uani 1 1 d . . .
H5A H 0.1335 0.8930 0.1961 0.055 Uiso 1 1 calc R . .
H5B H 0.0770 0.8468 0.1308 0.055 Uiso 1 1 calc R . .
H5C H 0.1490 0.8433 0.1365 0.055 Uiso 1 1 calc R . .
C6 C 0.1137(7) 0.6622(11) 0.1511(7) 0.041(4) Uani 1 1 d . . .
H6A H 0.1203 0.6019 0.1763 0.061 Uiso 1 1 calc R . .
H6B H 0.1401 0.6634 0.1243 0.061 Uiso 1 1 calc R . .
H6C H 0.0685 0.6683 0.1199 0.061 Uiso 1 1 calc R . .
C7 C 0.3978(6) 0.6928(11) 0.2779(6) 0.026(3) Uani 1 1 d . . .
H7 H 0.4072 0.7610 0.2922 0.031 Uiso 1 1 calc R . .
C8 C 0.4002(7) 0.6349(11) 0.3416(7) 0.035(4) Uani 1 1 d . . .
H8A H 0.3676 0.6590 0.3567 0.053 Uiso 1 1 calc R . .
H8B H 0.4426 0.6416 0.3792 0.053 Uiso 1 1 calc R . .
H8C H 0.3920 0.5675 0.3290 0.053 Uiso 1 1 calc R . .
C9 C 0.4485(6) 0.6578(12) 0.2536(7) 0.042(4) Uani 1 1 d . . .
H9A H 0.4465 0.6957 0.2139 0.063 Uiso 1 1 calc R . .
H9B H 0.4408 0.5906 0.2403 0.063 Uiso 1 1 calc R . .
H9C H 0.4910 0.6647 0.2911 0.063 Uiso 1 1 calc R . .
C10 C 0.3178(6) 0.7501(9) 0.1316(6) 0.023(3) Uani 1 1 d . . .
H10 H 0.3485 0.7142 0.1175 0.028 Uiso 1 1 calc R . .
C11 C 0.3449(8) 0.8527(11) 0.1513(8) 0.048(5) Uani 1 1 d . . .
H11A H 0.3863 0.8498 0.1908 0.072 Uiso 1 1 calc R . .
H11B H 0.3150 0.8908 0.1636 0.072 Uiso 1 1 calc R . .
H11C H 0.3503 0.8821 0.1120 0.072 Uiso 1 1 calc R . .
C12 C 0.2524(8) 0.7512(11) 0.0685(7) 0.045(4) Uani 1 1 d . . .
H12A H 0.2366 0.6858 0.0572 0.068 Uiso 1 1 calc R . .
H12B H 0.2576 0.7798 0.0289 0.068 Uiso 1 1 calc R . .
H12C H 0.2215 0.7886 0.0798 0.068 Uiso 1 1 calc R . .
C13 C -0.0389(6) 0.2492(10) 0.1221(6) 0.023(3) Uani 1 1 d . . .
H13 H -0.0525 0.2596 0.1610 0.028 Uiso 1 1 calc R . .
C14 C -0.0570(7) 0.3415(10) 0.0742(7) 0.031(4) Uani 1 1 d . . .
H14A H -0.0349 0.3971 0.1014 0.046 Uiso 1 1 calc R . .
H14B H -0.1034 0.3518 0.0561 0.046 Uiso 1 1 calc R . .
H14C H -0.0440 0.3325 0.0358 0.046 Uiso 1 1 calc R . .
C15 C -0.0734(6) 0.1587(10) 0.0816(7) 0.029(4) Uani 1 1 d . . .
H15A H -0.0613 0.1035 0.1125 0.043 Uiso 1 1 calc R . .
H15B H -0.0609 0.1478 0.0430 0.043 Uiso 1 1 calc R . .
H15C H -0.1198 0.1680 0.0639 0.043 Uiso 1 1 calc R . .
C16 C 0.0655(6) 0.1224(10) 0.2108(7) 0.028(4) Uani 1 1 d . . .
H16 H 0.0472 0.0687 0.1776 0.033 Uiso 1 1 calc R . .
C17 C 0.0306(7) 0.1197(10) 0.2635(7) 0.033(4) Uani 1 1 d . . .
H17A H -0.0152 0.1322 0.2382 0.049 Uiso 1 1 calc R . .
H17B H 0.0492 0.1685 0.2991 0.049 Uiso 1 1 calc R . .
H17C H 0.0365 0.0568 0.2853 0.049 Uiso 1 1 calc R . .
C18 C 0.1379(6) 0.1008(10) 0.2502(7) 0.032(4) Uani 1 1 d . . .
H18A H 0.1588 0.1017 0.2179 0.048 Uiso 1 1 calc R . .
H18B H 0.1432 0.0378 0.2719 0.048 Uiso 1 1 calc R . .
H18C H 0.1573 0.1493 0.2859 0.048 Uiso 1 1 calc R . .
C19 C 0.0951(7) 0.3490(9) 0.0074(6) 0.023(3) Uani 1 1 d . . .
H19 H 0.0507 0.3354 -0.0269 0.027 Uiso 1 1 calc R . .
C20 C 0.0911(6) 0.4403(9) 0.0480(6) 0.024(3) Uani 1 1 d . . .
H20A H 0.0641 0.4272 0.0732 0.036 Uiso 1 1 calc R . .
H20B H 0.0725 0.4927 0.0155 0.036 Uiso 1 1 calc R . .
H20C H 0.1341 0.4580 0.0807 0.036 Uiso 1 1 calc R . .
C21 C 0.1363(7) 0.3681(10) -0.0343(7) 0.036(4) Uani 1 1 d . . .
H21A H 0.1378 0.3105 -0.0599 0.055 Uiso 1 1 calc R . .
H21B H 0.1798 0.3855 -0.0027 0.055 Uiso 1 1 calc R . .
H21C H 0.1174 0.4204 -0.0669 0.055 Uiso 1 1 calc R . .
C22 C 0.1244(6) 0.1410(9) 0.0079(6) 0.019(3) Uani 1 1 d . . .
H22 H 0.1574 0.1561 -0.0106 0.022 Uiso 1 1 calc R . .
C23 C 0.0590(7) 0.1267(11) -0.0549(7) 0.038(4) Uani 1 1 d . . .
H23A H 0.0468 0.1860 -0.0814 0.057 Uiso 1 1 calc R . .
H23B H 0.0261 0.1094 -0.0381 0.057 Uiso 1 1 calc R . .
H23C H 0.0631 0.0757 -0.0845 0.057 Uiso 1 1 calc R . .
C24 C 0.1447(7) 0.0460(10) 0.0501(7) 0.036(4) Uani 1 1 d . . .
H24A H 0.1859 0.0551 0.0892 0.054 Uiso 1 1 calc R . .
H24B H 0.1488 -0.0047 0.0202 0.054 Uiso 1 1 calc R . .
H24C H 0.1122 0.0281 0.0673 0.054 Uiso 1 1 calc R . .
C25 C 0.4021(6) 0.3624(9) 0.5444(7) 0.023(3) Uani 1 1 d . . .
H25 H 0.4454 0.3403 0.5769 0.028 Uiso 1 1 calc R . .
C26 C 0.3661(7) 0.3961(11) 0.5896(7) 0.040(4) Uani 1 1 d . . .
H26A H 0.3606 0.3420 0.6160 0.060 Uiso 1 1 calc R . .
H26B H 0.3240 0.4214 0.5597 0.060 Uiso 1 1 calc R . .
H26C H 0.3910 0.4460 0.6214 0.060 Uiso 1 1 calc R . .
C27 C 0.4127(7) 0.4460(10) 0.5021(7) 0.034(4) Uani 1 1 d . . .
H27A H 0.4363 0.4230 0.4753 0.051 Uiso 1 1 calc R . .
H27B H 0.4374 0.4965 0.5336 0.051 Uiso 1 1 calc R . .
H27C H 0.3712 0.4714 0.4707 0.051 Uiso 1 1 calc R . .
C28 C 0.3514(6) 0.1665(9) 0.5449(6) 0.016(3) Uani 1 1 d . . .
H28 H 0.3205 0.1904 0.5639 0.019 Uiso 1 1 calc R . .
C29 C 0.3234(6) 0.0723(9) 0.5023(7) 0.028(4) Uani 1 1 d . . .
H29A H 0.2828 0.0866 0.4637 0.041 Uiso 1 1 calc R . .
H29B H 0.3163 0.0248 0.5324 0.041 Uiso 1 1 calc R . .
H29C H 0.3539 0.0471 0.4845 0.041 Uiso 1 1 calc R . .
C30 C 0.4162(7) 0.1398(10) 0.6072(7) 0.036(4) Uani 1 1 d . . .
H30A H 0.4344 0.1969 0.6348 0.055 Uiso 1 1 calc R . .
H30B H 0.4466 0.1143 0.5893 0.055 Uiso 1 1 calc R . .
H30C H 0.4079 0.0917 0.6362 0.055 Uiso 1 1 calc R . .
C31 C 0.5136(6) 0.1965(9) 0.4204(6) 0.021(3) Uani 1 1 d . . .
H31 H 0.5238 0.1824 0.3795 0.025 Uiso 1 1 calc R . .
C32 C 0.5472(7) 0.2910(9) 0.4521(7) 0.028(4) Uani 1 1 d . . .
H32A H 0.5294 0.3427 0.4188 0.042 Uiso 1 1 calc R . .
H32B H 0.5931 0.2853 0.4637 0.042 Uiso 1 1 calc R . .
H32C H 0.5403 0.3049 0.4941 0.042 Uiso 1 1 calc R . .
C33 C 0.5421(6) 0.1133(9) 0.4737(7) 0.027(3) Uani 1 1 d . . .
H33A H 0.5208 0.0534 0.4534 0.040 Uiso 1 1 calc R . .
H33B H 0.5352 0.1271 0.5156 0.040 Uiso 1 1 calc R . .
H33C H 0.5881 0.1077 0.4853 0.040 Uiso 1 1 calc R . .
C34 C 0.3941(6) 0.0827(10) 0.3491(6) 0.024(3) Uani 1 1 d . . .
H34 H 0.4078 0.0353 0.3876 0.029 Uiso 1 1 calc R . .
C35 C 0.3210(7) 0.0806(9) 0.3161(7) 0.032(4) Uani 1 1 d . . .
H35A H 0.3043 0.1001 0.3502 0.047 Uiso 1 1 calc R . .
H35B H 0.3064 0.0158 0.3002 0.047 Uiso 1 1 calc R . .
H35C H 0.3054 0.1245 0.2768 0.047 Uiso 1 1 calc R . .
C36 C 0.4227(7) 0.0497(11) 0.2983(7) 0.040(4) Uani 1 1 d . . .
H36A H 0.4695 0.0505 0.3213 0.061 Uiso 1 1 calc R . .
H36B H 0.4087 0.0926 0.2584 0.061 Uiso 1 1 calc R . .
H36C H 0.4081 -0.0152 0.2827 0.061 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'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pu Pu -9.4100 4.3056 '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
Te5 Pu1 Te4 118.56(3) . . ?
Te5 Pu1 Te2 159.20(3) . . ?
Te4 Pu1 Te2 73.45(2) . . ?
Te5 Pu1 Te1 81.96(3) . . ?
Te4 Pu1 Te1 156.05(3) . . ?
Te2 Pu1 Te1 91.20(3) . . ?
Te5 Pu1 Te3 78.54(2) . . ?
Te4 Pu1 Te3 91.21(3) . . ?
Te2 Pu1 Te3 119.83(3) . . ?
Te1 Pu1 Te3 80.44(2) . . ?
Te5 Pu1 Te6 91.71(3) . . ?
Te4 Pu1 Te6 73.46(2) . . ?
Te2 Pu1 Te6 74.95(2) . . ?
Te1 Pu1 Te6 120.97(3) . . ?
Te3 Pu1 Te6 155.32(3) . . ?
P1 Te1 Pu1 111.44(8) . . ?
P2 Te2 Pu1 111.83(8) . . ?
P3 Te3 Pu1 111.26(8) . . ?
P4 Te4 Pu1 111.64(8) . . ?
P5 Te5 Pu1 113.44(8) . . ?
P6 Te6 Pu1 111.08(8) . . ?
N1 P1 C4 108.3(6) . . ?
N1 P1 C1 103.7(5) . . ?
C4 P1 C1 106.7(6) . . ?
N1 P1 Te1 121.2(4) . . ?
C4 P1 Te1 109.0(4) . . ?
C1 P1 Te1 107.0(4) . . ?
N1 P2 C10 106.4(6) . . ?
N1 P2 C7 110.0(5) . . ?
C10 P2 C7 105.4(6) . . ?
N1 P2 Te2 119.4(4) . . ?
C10 P2 Te2 104.0(4) . . ?
C7 P2 Te2 110.5(5) . . ?
N2 P3 C16 109.1(6) . . ?
N2 P3 C13 105.8(6) . . ?
C16 P3 C13 106.0(6) . . ?
N2 P3 Te3 120.2(4) . . ?
C16 P3 Te3 109.0(5) . . ?
C13 P3 Te3 105.8(4) . . ?
N2 P4 C22 106.8(6) . . ?
N2 P4 C19 110.0(6) . . ?
C22 P4 C19 106.8(6) . . ?
N2 P4 Te4 118.0(4) . . ?
C22 P4 Te4 104.1(4) . . ?
C19 P4 Te4 110.3(5) . . ?
N3 P5 C28 105.8(5) . . ?
N3 P5 C25 108.1(6) . . ?
C28 P5 C25 107.4(6) . . ?
N3 P5 Te5 120.6(4) . . ?
C28 P5 Te5 105.2(4) . . ?
C25 P5 Te5 109.1(5) . . ?
N3 P6 C31 104.5(6) . . ?
N3 P6 C34 109.6(5) . . ?
C31 P6 C34 105.9(6) . . ?
N3 P6 Te6 119.7(4) . . ?
C31 P6 Te6 106.2(4) . . ?
C34 P6 Te6 109.9(4) . . ?
P2 N1 P1 140.5(7) . . ?
P3 N2 P4 142.3(7) . . ?
P5 N3 P6 143.4(7) . . ?
C3 C1 C2 110.5(10) . . ?
C3 C1 P1 111.5(9) . . ?
C2 C1 P1 113.5(8) . . ?
C6 C4 C5 110.6(11) . . ?
C6 C4 P1 112.6(10) . . ?
C5 C4 P1 111.7(9) . . ?
C9 C7 C8 110.8(11) . . ?
C9 C7 P2 112.9(9) . . ?
C8 C7 P2 108.8(9) . . ?
C12 C10 C11 111.3(12) . . ?
C12 C10 P2 112.5(9) . . ?
C11 C10 P2 111.1(8) . . ?
C15 C13 C14 111.7(10) . . ?
C15 C13 P3 110.4(9) . . ?
C14 C13 P3 109.4(9) . . ?
C18 C16 C17 109.8(11) . . ?
C18 C16 P3 113.1(9) . . ?
C17 C16 P3 113.7(9) . . ?
C21 C19 C20 110.7(11) . . ?
C21 C19 P4 112.9(9) . . ?
C20 C19 P4 112.5(8) . . ?
C23 C22 C24 109.8(11) . . ?
C23 C22 P4 112.0(9) . . ?
C24 C22 P4 111.3(8) . . ?
C27 C25 C26 111.5(11) . . ?
C27 C25 P5 111.8(9) . . ?
C26 C25 P5 112.5(9) . . ?
C30 C28 C29 107.8(10) . . ?
C30 C28 P5 112.4(9) . . ?
C29 C28 P5 110.7(8) . . ?
C32 C31 C33 109.6(10) . . ?
C32 C31 P6 113.3(9) . . ?
C33 C31 P6 111.4(9) . . ?
C36 C34 C35 111.5(11) . . ?
C36 C34 P6 113.5(9) . . ?
C35 C34 P6 111.3(9) . . ?
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
Pu1 Te5 3.0934(10) . ?
Pu1 Te4 3.0992(10) . ?
Pu1 Te2 3.1158(10) . ?
Pu1 Te1 3.1485(10) . ?
Pu1 Te3 3.1550(11) . ?
Pu1 Te6 3.1660(10) . ?
Te1 P1 2.439(3) . ?
Te2 P2 2.424(4) . ?
Te3 P3 2.450(3) . ?
Te4 P4 2.422(4) . ?
Te5 P5 2.436(4) . ?
Te6 P6 2.430(3) . ?
P1 N1 1.600(9) . ?
P1 C4 1.826(12) . ?
P1 C1 1.822(12) . ?
P2 N1 1.590(10) . ?
P2 C10 1.848(12) . ?
P2 C7 1.853(13) . ?
P3 N2 1.558(10) . ?
P3 C16 1.798(13) . ?
P3 C13 1.837(12) . ?
P4 N2 1.613(10) . ?
P4 C22 1.831(12) . ?
P4 C19 1.823(13) . ?
P5 N3 1.596(9) . ?
P5 C28 1.813(12) . ?
P5 C25 1.814(13) . ?
P6 N3 1.584(9) . ?
P6 C31 1.826(12) . ?
P6 C34 1.847(13) . ?
C1 C3 1.518(16) . ?
C1 C2 1.548(15) . ?
C4 C6 1.471(17) . ?
C4 C5 1.528(17) . ?
C7 C9 1.493(16) . ?
C7 C8 1.523(17) . ?
C10 C12 1.522(18) . ?
C10 C11 1.524(18) . ?
C13 C15 1.525(16) . ?
C13 C14 1.561(17) . ?
C16 C18 1.520(17) . ?
C16 C17 1.577(16) . ?
C19 C21 1.519(17) . ?
C19 C20 1.533(16) . ?
C22 C23 1.531(17) . ?
C22 C24 1.535(17) . ?
C25 C27 1.522(16) . ?
C25 C26 1.530(17) . ?
C28 C30 1.549(17) . ?
C28 C29 1.551(16) . ?
C31 C32 1.512(17) . ?
C31 C33 1.540(16) . ?
C34 C36 1.504(16) . ?
C34 C35 1.497(17) . ?
