#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:38:12 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179254 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/74/4317431.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_4317431
loop_
_publ_author_name
'Robert P. Davies'
'M. Giovanna Martinelli'
_publ_section_title
;
 Synthetic and Structural Studies of Lithium Complexes of Selenophosphorus
 Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              348
_journal_page_last               352
_journal_paper_doi               10.1021/ic010835q
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C36 H52 Li2 N4 P2 Se2'
_chemical_formula_weight         774.56
_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                91.934(2)
_cell_angle_beta                 113.640(2)
_cell_angle_gamma                104.794(2)
_cell_formula_units_Z            2
_cell_length_a                   12.0608(4)
_cell_length_b                   13.8132(5)
_cell_length_c                   13.8828(4)
_cell_measurement_reflns_used    9757
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     2024.18(12)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 19'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_av_sigmaI/netI    0.0534
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13042
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    1.934
_exptl_absorpt_correction_T_max  0.6135
_exptl_absorpt_correction_T_min  0.5766
_exptl_crystal_density_diffrn    1.271
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.618
_refine_diff_density_min         -0.394
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         9178
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0642
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0547P)²+0.4282P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0890
_refine_ls_wR_factor_ref         0.1171
_reflns_number_gt                6872
_reflns_number_total             9178
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010835q_1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4317431
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
Li1 Li -0.0850(5) 0.6354(4) 0.2867(4) 0.0344(11) Uani 1 1 d . A .
Se1 Se -0.02275(3) 0.77088(2) 0.17512(2) 0.03494(10) Uani 1 1 d . A .
P1 P -0.16359(8) 0.70643(6) 0.00809(6) 0.03527(18) Uani 1 1 d . . .
N1 N -0.1818(2) 0.67527(18) 0.3744(2) 0.0355(6) Uani 1 1 d . A .
C1 C -0.0916(3) 0.7725(2) -0.0753(2) 0.0325(6) Uani 1 1 d . . .
Li2 Li 0.1995(4) 0.7537(4) 0.2249(4) 0.0347(11) Uani 1 1 d . . .
Se2 Se 0.11516(3) 0.58492(2) 0.40160(3) 0.03935(10) Uani 1 1 d . . .
P2 P 0.25052(7) 0.73109(6) 0.41492(6) 0.03075(17) Uani 1 1 d . A .
N2 N -0.2377(2) 0.50120(19) 0.22057(19) 0.0385(6) Uani 1 1 d . . .
C2 C -0.0777(3) 0.8744(2) -0.0842(3) 0.0398(7) Uani 1 1 d . . .
H2A H -0.1040 0.9134 -0.0445 0.048 Uiso 1 1 calc R . .
C3 C -0.0259(3) 0.9200(3) -0.1503(3) 0.0481(9) Uani 1 1 d . . .
H3A H -0.0158 0.9899 -0.1548 0.058 Uiso 1 1 calc R . .
N3 N 0.3144(3) 0.8667(2) 0.1844(2) 0.0493(7) Uani 1 1 d D A .
N4 N 0.2603(2) 0.6483(2) 0.1629(2) 0.0420(6) Uani 1 1 d . A .
C4 C 0.0106(3) 0.8639(3) -0.2091(3) 0.0536(10) Uani 1 1 d . . .
H4A H 0.0452 0.8952 -0.2548 0.064 Uiso 1 1 calc R . .
C5 C -0.0022(3) 0.7634(3) -0.2024(3) 0.0506(9) Uani 1 1 d . . .
H5A H 0.0239 0.7252 -0.2429 0.061 Uiso 1 1 calc R . .
C6 C -0.0540(3) 0.7171(3) -0.1356(2) 0.0410(7) Uani 1 1 d . . .
H6A H -0.0636 0.6472 -0.1315 0.049 Uiso 1 1 calc R . .
C7 C -0.2856(3) 0.7723(2) -0.0140(2) 0.0354(7) Uani 1 1 d . . .
C8 C -0.3820(3) 0.7560(3) -0.1168(3) 0.0501(9) Uani 1 1 d . . .
H8A H -0.3822 0.7132 -0.1719 0.060 Uiso 1 1 calc R . .
C9 C -0.4770(3) 0.8017(3) -0.1386(3) 0.0625(12) Uani 1 1 d . . .
H9A H -0.5414 0.7908 -0.2090 0.075 Uiso 1 1 calc R . .
C10 C -0.4795(3) 0.8627(4) -0.0599(4) 0.0667(13) Uani 1 1 d . . .
H10A H -0.5456 0.8934 -0.0754 0.080 Uiso 1 1 calc R . .
C11 C -0.3868(4) 0.8790(4) 0.0404(3) 0.0651(12) Uani 1 1 d . . .
H11A H -0.3881 0.9211 0.0952 0.078 Uiso 1 1 calc R . .
C12 C -0.2896(3) 0.8342(3) 0.0633(3) 0.0491(9) Uani 1 1 d . . .
H12A H -0.2249 0.8467 0.1337 0.059 Uiso 1 1 calc R . .
C13 C 0.2309(3) 0.8222(2) 0.5016(2) 0.0327(6) Uani 1 1 d . . .
C14 C 0.1938(4) 0.9053(3) 0.4619(3) 0.0503(9) Uani 1 1 d . A .
H14A H 0.1797 0.9144 0.3909 0.060 Uiso 1 1 calc R . .
C15 C 0.1772(4) 0.9753(3) 0.5252(3) 0.0646(11) Uani 1 1 d . . .
H15A H 0.1516 1.0318 0.4972 0.077 Uiso 1 1 calc R A .
C16 C 0.1976(4) 0.9630(3) 0.6283(3) 0.0536(9) Uani 1 1 d . A .
H16A H 0.1872 1.0114 0.6718 0.064 Uiso 1 1 calc R . .
C17 C 0.2331(3) 0.8805(3) 0.6682(2) 0.0431(8) Uani 1 1 d . . .
H17A H 0.2471 0.8718 0.7393 0.052 Uiso 1 1 calc R A .
C18 C 0.2484(3) 0.8106(2) 0.6056(2) 0.0372(7) Uani 1 1 d . A .
H18A H 0.2713 0.7532 0.6336 0.045 Uiso 1 1 calc R . .
C19 C 0.4086(3) 0.7230(2) 0.5037(2) 0.0360(7) Uani 1 1 d . . .
C20 C 0.4324(3) 0.6320(3) 0.5279(3) 0.0453(8) Uani 1 1 d . A .
H20A H 0.3647 0.5708 0.5028 0.054 Uiso 1 1 calc R . .
C21 C 0.5561(4) 0.6300(4) 0.5892(3) 0.0628(11) Uani 1 1 d . . .
H21A H 0.5720 0.5674 0.6059 0.075 Uiso 1 1 calc R A .
C22 C 0.6539(4) 0.7171(4) 0.6251(3) 0.0699(13) Uani 1 1 d . A .
H22A H 0.7375 0.7148 0.6668 0.084 Uiso 1 1 calc R . .
C23 C 0.6326(3) 0.8081(4) 0.6017(3) 0.0699(12) Uani 1 1 d . . .
H23A H 0.7013 0.8686 0.6268 0.084 Uiso 1 1 calc R A .
C24 C 0.5097(3) 0.8118(3) 0.5407(3) 0.0554(9) Uani 1 1 d . A .
H24A H 0.4950 0.8749 0.5244 0.066 Uiso 1 1 calc R . .
C25 C -0.1076(4) 0.6753(3) 0.4875(3) 0.0574(10) Uani 1 1 d . . .
H25A H -0.1570 0.6830 0.5271 0.086 Uiso 1 1 calc R . .
H25B H -0.0293 0.7318 0.5140 0.086 Uiso 1 1 calc R . .
H25C H -0.0866 0.6113 0.4971 0.086 Uiso 1 1 calc R . .
C26 C -0.2089(4) 0.7719(3) 0.3592(4) 0.0663(12) Uani 1 1 d . . .
H26A H -0.2585 0.7817 0.3980 0.100 Uiso 1 1 calc R . .
H26B H -0.2572 0.7721 0.2833 0.100 Uiso 1 1 calc R . .
H26C H -0.1292 0.8269 0.3863 0.100 Uiso 1 1 calc R . .
C27 C -0.3012(3) 0.5930(3) 0.3327(3) 0.0544(9) Uani 1 1 d . . .
H27A H -0.3643 0.6121 0.2708 0.065 Uiso 1 1 calc R A .
H27B H -0.3336 0.5851 0.3881 0.065 Uiso 1 1 calc R . .
C28 C -0.2889(4) 0.4935(3) 0.2995(3) 0.0523(9) Uani 1 1 d . A .
H28A H -0.2326 0.4706 0.3626 0.063 Uiso 1 1 calc R . .
H28B H -0.3731 0.4422 0.2696 0.063 Uiso 1 1 calc R . .
C29 C -0.1942(4) 0.4115(3) 0.2140(3) 0.0628(10) Uani 1 1 d . A .
H29A H -0.2670 0.3504 0.1872 0.094 Uiso 1 1 calc R . .
H29B H -0.1339 0.4062 0.2848 0.094 Uiso 1 1 calc R . .
H29C H -0.1528 0.4184 0.1655 0.094 Uiso 1 1 calc R . .
C30 C -0.3322(3) 0.5041(3) 0.1140(3) 0.0554(9) Uani 1 1 d . A .
H30A H -0.4044 0.4428 0.0916 0.083 Uiso 1 1 calc R . .
H30B H -0.2940 0.5076 0.0634 0.083 Uiso 1 1 calc R . .
H30C H -0.3613 0.5639 0.1161 0.083 Uiso 1 1 calc R . .
C31 C 0.4385(7) 0.9141(8) 0.2628(9) 0.076(3) Uani 0.639(9) 1 d PDU A 1
H31A H 0.4857 0.9614 0.2318 0.114 Uiso 0.639(9) 1 calc PR A 1
H31B H 0.4814 0.8626 0.2888 0.114 Uiso 0.639(9) 1 calc PR A 1
H31C H 0.4345 0.9512 0.3221 0.114 Uiso 0.639(9) 1 calc PR A 1
C31' C 0.4027(16) 0.9478(13) 0.2769(12) 0.080(6) Uani 0.361(9) 1 d PDU A 2
H31D H 0.4715 0.9880 0.2614 0.120 Uiso 0.361(9) 1 calc PR A 2
H31E H 0.4380 0.9166 0.3404 0.120 Uiso 0.361(9) 1 calc PR A 2
H31F H 0.3563 0.9918 0.2897 0.120 Uiso 0.361(9) 1 calc PR A 2
C32 C 0.2500(8) 0.9458(6) 0.1390(8) 0.065(2) Uani 0.639(9) 1 d PDU A 1
H32A H 0.2970 0.9888 0.1049 0.098 Uiso 0.639(9) 1 calc PR A 1
H32B H 0.2481 0.9876 0.1964 0.098 Uiso 0.639(9) 1 calc PR A 1
H32C H 0.1633 0.9123 0.0863 0.098 Uiso 0.639(9) 1 calc PR A 1
C32' C 0.2546(16) 0.9072(13) 0.0927(10) 0.078(5) Uani 0.361(9) 1 d PDU A 2
H32D H 0.3185 0.9487 0.0725 0.116 Uiso 0.361(9) 1 calc PR A 2
H32E H 0.2072 0.9494 0.1073 0.116 Uiso 0.361(9) 1 calc PR A 2
H32F H 0.1962 0.8519 0.0344 0.116 Uiso 0.361(9) 1 calc PR A 2
C33 C 0.3085(6) 0.8057(5) 0.0895(5) 0.062(2) Uani 0.639(9) 1 d PDU A 1
H33A H 0.2222 0.7893 0.0313 0.074 Uiso 0.639(9) 1 calc PR A 1
H33B H 0.3685 0.8465 0.0638 0.074 Uiso 0.639(9) 1 calc PR A 1
C33' C 0.4049(10) 0.8110(8) 0.1750(10) 0.069(4) Uani 0.361(9) 1 d PDU A 2
H33C H 0.4537 0.8502 0.1390 0.083 Uiso 0.361(9) 1 calc PR A 2
H33D H 0.4657 0.8072 0.2472 0.083 Uiso 0.361(9) 1 calc PR A 2
C34 C 0.3404(4) 0.7110(3) 0.1169(3) 0.0667(11) Uani 1 1 d D . .
H34A H 0.4302 0.7280 0.1687 0.080 Uiso 0.639(9) 1 calc PR A 1
H34B H 0.3305 0.6710 0.0520 0.080 Uiso 0.639(9) 1 calc PR A 1
H34C H 0.4035 0.6776 0.1160 0.080 Uiso 0.361(9) 1 calc PR A 2
H34D H 0.2865 0.7153 0.0424 0.080 Uiso 0.361(9) 1 calc PR A 2
C35 C 0.3292(4) 0.5870(3) 0.2355(3) 0.0647(11) Uani 1 1 d . . .
H35A H 0.3501 0.5400 0.1957 0.097 Uiso 1 1 calc R A .
H35B H 0.2760 0.5484 0.2673 0.097 Uiso 1 1 calc R . .
H35C H 0.4074 0.6317 0.2918 0.097 Uiso 1 1 calc R . .
C36 C 0.1440(4) 0.5805(3) 0.0801(3) 0.0585(10) Uani 1 1 d . . .
H36A H 0.1649 0.5312 0.0431 0.088 Uiso 1 1 calc R A .
H36B H 0.0992 0.6200 0.0292 0.088 Uiso 1 1 calc R . .
H36C H 0.0898 0.5448 0.1126 0.088 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'
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 '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
N2 Li1 N1 86.4(2) . . ?
N2 Li1 Se2 107.7(2) . . ?
N1 Li1 Se2 113.9(2) . . ?
N2 Li1 Se1 124.0(2) . . ?
N1 Li1 Se1 115.6(2) . . ?
Se2 Li1 Se1 108.03(17) . . ?
P1 Se1 Li2 115.59(12) . . ?
P1 Se1 Li1 103.60(11) . . ?
Li2 Se1 Li1 95.66(15) . . ?
C1 P1 C7 98.14(12) . . ?
C1 P1 Se1 104.72(10) . . ?
C7 P1 Se1 103.22(11) . . ?
C26 N1 C25 109.7(3) . . ?
C26 N1 C27 109.3(3) . . ?
C25 N1 C27 110.9(3) . . ?
C26 N1 Li1 115.0(2) . . ?
C25 N1 Li1 108.8(2) . . ?
C27 N1 Li1 103.0(2) . . ?
C6 C1 C2 118.1(3) . . ?
C6 C1 P1 118.6(2) . . ?
C2 C1 P1 123.2(2) . . ?
N3 Li2 N4 88.5(2) . . ?
N3 Li2 P2 121.8(2) . . ?
N4 Li2 P2 106.9(2) . . ?
N3 Li2 Se1 114.0(2) . . ?
N4 Li2 Se1 130.9(2) . . ?
P2 Li2 Se1 97.30(17) . . ?
N3 Li2 C33 33.36(18) . . ?
N4 Li2 C33 60.1(2) . . ?
P2 Li2 C33 142.4(2) . . ?
Se1 Li2 C33 118.0(2) . . ?
N3 Li2 C33' 33.0(3) . . ?
N4 Li2 C33' 57.8(3) . . ?
P2 Li2 C33' 115.7(3) . . ?
Se1 Li2 C33' 142.4(3) . . ?
C33 Li2 C33' 26.8(3) . . ?
P2 Se2 Li1 95.52(11) . . ?
C13 P2 C19 99.84(13) . . ?
C13 P2 Se2 106.05(9) . . ?
C19 P2 Se2 106.46(10) . . ?
C13 P2 Li2 119.63(15) . . ?
C19 P2 Li2 120.27(14) . . ?
Se2 P2 Li2 103.39(12) . . ?
C28 N2 C30 112.5(3) . . ?
C28 N2 C29 108.5(3) . . ?
C30 N2 C29 108.0(3) . . ?
C28 N2 Li1 101.9(2) . . ?
C30 N2 Li1 113.9(2) . . ?
C29 N2 Li1 111.9(2) . . ?
C3 C2 C1 120.9(3) . . ?
C4 C3 C2 119.9(3) . . ?
C32' N3 C31 123.8(9) . . ?
C32' N3 C31' 111.9(10) . . ?
C31 N3 C31' 30.9(7) . . ?
C32' N3 C33 71.2(8) . . ?
C31 N3 C33 114.3(6) . . ?
C31' N3 C33 142.1(8) . . ?
C32' N3 C32 33.6(7) . . ?
C31 N3 C32 109.9(6) . . ?
C31' N3 C32 86.0(9) . . ?
C33 N3 C32 104.7(5) . . ?
C32' N3 C33' 113.7(9) . . ?
C31 N3 C33' 70.2(6) . . ?
C31' N3 C33' 101.1(9) . . ?
C33 N3 C33' 49.4(5) . . ?
C32 N3 C33' 142.8(6) . . ?
C32' N3 Li2 116.7(7) . . ?
C31 N3 Li2 117.5(6) . . ?
C31' N3 Li2 112.1(8) . . ?
C33 N3 Li2 97.8(3) . . ?
C32 N3 Li2 111.4(4) . . ?
C33' N3 Li2 99.8(4) . . ?
C36 N4 C35 108.6(3) . . ?
C36 N4 C34 111.5(3) . . ?
C35 N4 C34 110.8(3) . . ?
C36 N4 Li2 104.2(2) . . ?
C35 N4 Li2 118.3(3) . . ?
C34 N4 Li2 103.2(3) . . ?
C5 C4 C3 120.6(3) . . ?
C4 C5 C6 119.8(3) . . ?
C1 C6 C5 120.6(3) . . ?
C12 C7 C8 117.8(3) . . ?
C12 C7 P1 124.9(2) . . ?
C8 C7 P1 117.3(3) . . ?
C9 C8 C7 120.4(4) . . ?
C10 C9 C8 120.8(3) . . ?
C11 C10 C9 119.5(3) . . ?
C10 C11 C12 120.3(4) . . ?
C7 C12 C11 121.2(3) . . ?
C14 C13 C18 117.9(3) . . ?
C14 C13 P2 119.2(2) . . ?
C18 C13 P2 122.9(2) . . ?
C13 C14 C15 120.6(3) . . ?
C16 C15 C14 120.2(3) . . ?
C15 C16 C17 119.7(3) . . ?
C18 C17 C16 120.2(3) . . ?
C17 C18 C13 121.3(3) . . ?
C20 C19 C24 119.0(3) . . ?
C20 C19 P2 122.7(2) . . ?
C24 C19 P2 118.1(2) . . ?
C19 C20 C21 120.0(4) . . ?
C22 C21 C20 120.6(4) . . ?
C21 C22 C23 120.4(3) . . ?
C22 C23 C24 120.0(4) . . ?
C19 C24 C23 120.1(4) . . ?
N1 C27 C28 113.5(3) . . ?
N2 C28 C27 111.4(3) . . ?
C34 C33 N3 111.0(4) . . ?
C34 C33 Li2 78.7(3) . . ?
N3 C33 Li2 48.8(2) . . ?
C34 C33' N3 112.5(7) . . ?
C34 C33' Li2 77.4(4) . . ?
N3 C33' Li2 47.3(3) . . ?
C33' C34 C33 51.8(6) . . ?
C33' C34 N4 112.7(5) . . ?
C33 C34 N4 113.0(4) . . ?
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
Li1 N2 2.111(6) . ?
Li1 N1 2.138(5) . ?
Li1 Se2 2.589(5) . ?
Li1 Se1 2.623(4) . ?
Se1 P1 2.2326(9) . ?
Se1 Li2 2.564(5) . ?
P1 C1 1.844(3) . ?
P1 C7 1.851(3) . ?
N1 C26 1.456(4) . ?
N1 C25 1.462(4) . ?
N1 C27 1.467(4) . ?
C1 C6 1.389(4) . ?
C1 C2 1.391(4) . ?
Li2 N3 2.062(5) . ?
Li2 N4 2.088(6) . ?
Li2 P2 2.508(5) . ?
Li2 C33 2.713(7) . ?
Li2 C33' 2.766(10) . ?
Se2 P2 2.1966(8) . ?
P2 C13 1.834(3) . ?
P2 C19 1.844(3) . ?
N2 C28 1.453(4) . ?
N2 C30 1.472(4) . ?
N2 C29 1.477(4) . ?
C2 C3 1.387(4) . ?
C3 C4 1.370(5) . ?
N3 C32' 1.405(11) . ?
N3 C31 1.414(8) . ?
N3 C31' 1.495(13) . ?
N3 C33 1.506(7) . ?
N3 C32 1.511(7) . ?
N3 C33' 1.528(11) . ?
N4 C36 1.459(4) . ?
N4 C35 1.474(4) . ?
N4 C34 1.481(5) . ?
C4 C5 1.368(5) . ?
C5 C6 1.400(4) . ?
C7 C12 1.373(5) . ?
C7 C8 1.398(4) . ?
C8 C9 1.381(5) . ?
C9 C10 1.373(6) . ?
C10 C11 1.357(6) . ?
C11 C12 1.394(5) . ?
C13 C14 1.389(4) . ?
C13 C18 1.394(4) . ?
C14 C15 1.389(5) . ?
C15 C16 1.376(5) . ?
C16 C17 1.376(5) . ?
C17 C18 1.372(4) . ?
C19 C20 1.383(4) . ?
C19 C24 1.396(5) . ?
C20 C21 1.398(5) . ?
C21 C22 1.360(6) . ?
C22 C23 1.370(6) . ?
C23 C24 1.397(5) . ?
C27 C28 1.498(5) . ?
C33 C34 1.475(7) . ?
C33' C34 1.427(10) . ?
