#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:23:48 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180137 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/34/7103430.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_7103430
loop_
_publ_author_name
'Konu, Jari'
'Chivers, Tristram'
_publ_section_title
;
 Formation of a stable dicarbenoid and an unsaturated C2P2S2 ring from
 two-electron oxidation of the [C(PPh2S)2]2- dianion.
;
_journal_issue                   40
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4995
_journal_page_last               4997
_journal_paper_doi               10.1039/b810796c
_journal_year                    2008
_chemical_formula_moiety         'C54 H50 I2 Li2 O P4 S4'
_chemical_formula_sum            'C54 H50 I2 Li2 O P4 S4'
_chemical_formula_weight         1234.74
_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                 109.28(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.997(5)
_cell_length_b                   10.517(2)
_cell_length_c                   20.050(4)
_cell_measurement_reflns_used    8595
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      2.99
_cell_volume                     5373.3(19)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'DIAMOND (Brandenburg & Berndt, 1999)'
_computing_publication_material  'WinGX v1.70-01 (L. J. Farrugia)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'KappaCCD (Nonius, FR540C)'
_diffrn_measurement_method       'phiω scans'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'Enraf Nonius FR590D, fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0439
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            8595
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.99
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.483
_exptl_absorpt_correction_T_max  0.9710
_exptl_absorpt_correction_T_min  0.7973
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'SADABS (SHELXTL-NT v5.1, Bruker)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2472
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.532
_refine_diff_density_min         -0.447
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     304
_refine_ls_number_reflns         4707
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0312
_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)+(0.0141P)²+9.8864P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0571
_refine_ls_wR_factor_ref         0.0629
_reflns_number_gt                3694
_reflns_number_total             4707
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B810796C.txt
_cod_data_source_block           compound_5
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7103430
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
_atom_site_disorder_assembly
_atom_site_disorder_group
I1 I 0.123781(9) 0.06653(2) 0.304623(11) 0.03407(8) Uani 1 1 d . . .
S1 S 0.08011(3) 0.44834(8) 0.25527(4) 0.0352(2) Uani 1 1 d . . .
S2 S 0.00553(3) 0.18080(8) 0.34994(4) 0.02960(19) Uani 1 1 d . . .
P1 P 0.13860(3) 0.36911(8) 0.33293(4) 0.02575(19) Uani 1 1 d . . .
P2 P 0.08070(3) 0.20768(8) 0.41232(4) 0.02431(19) Uani 1 1 d . . .
O1 O 0.0000 -0.1395(4) 0.2500 0.0576(11) Uani 1 2 d S . .
Li1 Li 0.0000 0.3302(7) 0.2500 0.0322(18) Uani 1 2 d S . .
Li2 Li 0.0000 0.0392(8) 0.2500 0.051(2) Uani 1 2 d S . .
C1 C 0.12869(13) 0.2274(3) 0.37245(16) 0.0269(7) Uani 1 1 d . . .
C2 C 0.0044(3) -0.2070(5) 0.3131(3) 0.101(2) Uani 1 1 d . . .
H2A H 0.0067 -0.2990 0.3042 0.121 Uiso 1 1 calc R . .
H2B H 0.0376 -0.1818 0.3499 0.121 Uiso 1 1 calc R . .
C3 C -0.0366(3) -0.1876(6) 0.3390(3) 0.109(2) Uani 1 1 d . . .
H3A H -0.0303 -0.2363 0.3827 0.164 Uiso 1 1 calc R . .
H3B H -0.0695 -0.2157 0.3039 0.164 Uiso 1 1 calc R . .
H3C H -0.0390 -0.0969 0.3488 0.164 Uiso 1 1 calc R . .
C100 C 0.16487(13) 0.4836(3) 0.40420(16) 0.0285(7) Uani 1 1 d . . .
C101 C 0.19880(14) 0.4436(3) 0.47017(17) 0.0341(8) Uani 1 1 d . . .
H101 H 0.2082 0.3564 0.4781 0.041 Uiso 1 1 calc R . .
C102 C 0.21858(15) 0.5314(4) 0.52372(18) 0.0416(9) Uani 1 1 d . . .
H102 H 0.2419 0.5046 0.5682 0.050 Uiso 1 1 calc R . .
C103 C 0.20462(16) 0.6574(4) 0.5128(2) 0.0468(10) Uani 1 1 d . . .
H103 H 0.2174 0.7168 0.5503 0.056 Uiso 1 1 calc R . .
C104 C 0.17223(17) 0.6976(4) 0.4479(2) 0.0512(10) Uani 1 1 d . . .
H104 H 0.1635 0.7851 0.4403 0.061 Uiso 1 1 calc R . .
C105 C 0.15237(15) 0.6117(3) 0.3936(2) 0.0420(9) Uani 1 1 d . . .
H105 H 0.1301 0.6403 0.3488 0.050 Uiso 1 1 calc R . .
C106 C 0.19427(13) 0.3370(3) 0.30285(16) 0.0303(8) Uani 1 1 d . . .
C107 C 0.19741(18) 0.3904(5) 0.2417(2) 0.0633(13) Uani 1 1 d . . .
H107 H 0.1699 0.4434 0.2137 0.076 Uiso 1 1 calc R . .
C108 C 0.2409(2) 0.3670(6) 0.2208(3) 0.0855(17) Uani 1 1 d . . .
H108 H 0.2430 0.4059 0.1791 0.103 Uiso 1 1 calc R . .
C109 C 0.28039(19) 0.2894(5) 0.2592(3) 0.0680(13) Uani 1 1 d . . .
H109 H 0.3095 0.2727 0.2439 0.082 Uiso 1 1 calc R . .
C110 C 0.27773(16) 0.2358(4) 0.3201(2) 0.0539(11) Uani 1 1 d . . .
H110 H 0.3052 0.1819 0.3473 0.065 Uiso 1 1 calc R . .
C111 C 0.23521(14) 0.2597(4) 0.34233(18) 0.0401(9) Uani 1 1 d . . .
H111 H 0.2340 0.2228 0.3850 0.048 Uiso 1 1 calc R . .
C200 C 0.07953(12) 0.3434(3) 0.46824(16) 0.0259(7) Uani 1 1 d . . .
C201 C 0.09746(14) 0.3317(3) 0.54151(17) 0.0350(8) Uani 1 1 d . . .
H201 H 0.1122 0.2536 0.5628 0.042 Uiso 1 1 calc R . .
C202 C 0.09386(15) 0.4339(4) 0.58368(18) 0.0407(9) Uani 1 1 d . . .
H202 H 0.1054 0.4246 0.6336 0.049 Uiso 1 1 calc R . .
C203 C 0.07390(15) 0.5478(3) 0.5538(2) 0.0417(9) Uani 1 1 d . . .
H203 H 0.0722 0.6178 0.5829 0.050 Uiso 1 1 calc R . .
C204 C 0.05634(16) 0.5606(4) 0.4817(2) 0.0471(10) Uani 1 1 d . . .
H204 H 0.0429 0.6399 0.4609 0.056 Uiso 1 1 calc R . .
C205 C 0.05815(15) 0.4585(3) 0.43903(19) 0.0386(9) Uani 1 1 d . . .
H205 H 0.0446 0.4675 0.3891 0.046 Uiso 1 1 calc R . .
C206 C 0.10249(13) 0.0756(3) 0.47369(16) 0.0266(7) Uani 1 1 d . . .
C207 C 0.06661(15) 0.0005(3) 0.49120(18) 0.0366(8) Uani 1 1 d . . .
H207 H 0.0302 0.0084 0.4657 0.044 Uiso 1 1 calc R . .
C208 C 0.08385(17) -0.0866(3) 0.5462(2) 0.0463(10) Uani 1 1 d . . .
H208 H 0.0591 -0.1377 0.5583 0.056 Uiso 1 1 calc R . .
C209 C 0.13636(17) -0.0992(3) 0.5831(2) 0.0453(10) Uani 1 1 d . . .
H209 H 0.1477 -0.1583 0.6210 0.054 Uiso 1 1 calc R . .
C210 C 0.17301(16) -0.0263(3) 0.56547(18) 0.0407(9) Uani 1 1 d . . .
H210 H 0.2094 -0.0356 0.5908 0.049 Uiso 1 1 calc R . .
C211 C 0.15588(14) 0.0605(3) 0.51039(17) 0.0340(8) Uani 1 1 d . . .
H211 H 0.1808 0.1100 0.4976 0.041 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'
Li Li -0.0003 0.0001 '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'
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'
I I -0.4742 1.8119 '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
C1 I1 Li2 97.35(15) . . ?
P1 S1 Li1 106.24(12) . . ?
P2 S2 Li2 111.53(5) . . ?
P2 S2 Li1 100.90(7) . . ?
Li2 S2 Li1 76.0(2) . . ?
C1 P1 C100 106.59(15) . . ?
C1 P1 C106 104.93(15) . . ?
C100 P1 C106 103.37(15) . . ?
C1 P1 S1 120.59(12) . . ?
C100 P1 S1 109.78(12) . . ?
C106 P1 S1 110.17(11) . . ?
C1 P2 C206 106.10(15) . . ?
C1 P2 C200 110.81(14) . . ?
C206 P2 C200 104.45(14) . . ?
C1 P2 S2 118.60(11) . . ?
C206 P2 S2 110.24(11) . . ?
C200 P2 S2 105.81(11) . . ?
C2 O1 C2 120.0(6) . 2 ?
C2 O1 Li2 120.0(3) . . ?
C2 O1 Li2 120.0(3) 2 . ?
S1 Li1 S1 119.5(3) 2 . ?
S1 Li1 S2 117.44(5) 2 2 ?
S1 Li1 S2 99.76(5) . 2 ?
S1 Li1 S2 99.76(5) 2 . ?
S1 Li1 S2 117.44(5) . . ?
S2 Li1 S2 102.5(3) 2 . ?
S1 Li1 Li2 120.25(16) 2 . ?
S1 Li1 Li2 120.25(16) . . ?
S2 Li1 Li2 51.27(14) 2 . ?
S2 Li1 Li2 51.27(14) . . ?
O1 Li2 S2 127.23(16) . . ?
O1 Li2 S2 127.23(16) . 2 ?
S2 Li2 S2 105.5(3) . 2 ?
O1 Li2 Li1 180.000(1) . . ?
S2 Li2 Li1 52.77(16) . . ?
S2 Li2 Li1 52.77(16) 2 . ?
O1 Li2 I1 95.20(16) . 2 ?
S2 Li2 I1 90.00(12) . 2 ?
S2 Li2 I1 83.70(10) 2 2 ?
Li1 Li2 I1 84.80(16) . 2 ?
O1 Li2 I1 95.20(16) . . ?
S2 Li2 I1 83.70(10) . . ?
S2 Li2 I1 90.00(12) 2 . ?
Li1 Li2 I1 84.80(16) . . ?
I1 Li2 I1 169.6(3) 2 . ?
P2 C1 P1 123.80(19) . . ?
P2 C1 I1 107.26(15) . . ?
P1 C1 I1 111.78(15) . . ?
C3 C2 O1 114.7(5) . . ?
C3 C2 H2A 108.6 . . ?
O1 C2 H2A 108.6 . . ?
C3 C2 H2B 108.6 . . ?
O1 C2 H2B 108.6 . . ?
H2A C2 H2B 107.6 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C105 C100 C101 119.1(3) . . ?
C105 C100 P1 120.6(3) . . ?
C101 C100 P1 120.3(2) . . ?
C102 C101 C100 119.8(3) . . ?
C102 C101 H101 120.1 . . ?
C100 C101 H101 120.1 . . ?
C103 C102 C101 120.3(4) . . ?
C103 C102 H102 119.8 . . ?
C101 C102 H102 119.8 . . ?
C104 C103 C102 120.2(3) . . ?
C104 C103 H103 119.9 . . ?
C102 C103 H103 119.9 . . ?
C103 C104 C105 120.4(4) . . ?
C103 C104 H104 119.8 . . ?
C105 C104 H104 119.8 . . ?
C104 C105 C100 120.2(3) . . ?
C104 C105 H105 119.9 . . ?
C100 C105 H105 119.9 . . ?
C107 C106 C111 118.4(3) . . ?
C107 C106 P1 121.2(3) . . ?
C111 C106 P1 120.4(2) . . ?
C106 C107 C108 120.1(4) . . ?
C106 C107 H107 119.9 . . ?
C108 C107 H107 119.9 . . ?
C109 C108 C107 121.1(4) . . ?
C109 C108 H108 119.5 . . ?
C107 C108 H108 119.5 . . ?
C108 C109 C110 119.3(4) . . ?
C108 C109 H109 120.3 . . ?
C110 C109 H109 120.3 . . ?
C109 C110 C111 120.4(4) . . ?
C109 C110 H110 119.8 . . ?
C111 C110 H110 119.8 . . ?
C110 C111 C106 120.7(3) . . ?
C110 C111 H111 119.7 . . ?
C106 C111 H111 119.7 . . ?
C205 C200 C201 118.4(3) . . ?
C205 C200 P2 120.9(2) . . ?
C201 C200 P2 120.6(2) . . ?
C202 C201 C200 120.2(3) . . ?
C202 C201 H201 119.9 . . ?
C200 C201 H201 119.9 . . ?
C203 C202 C201 120.5(3) . . ?
C203 C202 H202 119.8 . . ?
C201 C202 H202 119.8 . . ?
C202 C203 C204 119.8(3) . . ?
C202 C203 H203 120.1 . . ?
C204 C203 H203 120.1 . . ?
C203 C204 C205 120.4(3) . . ?
C203 C204 H204 119.8 . . ?
C205 C204 H204 119.8 . . ?
C204 C205 C200 120.8(3) . . ?
C204 C205 H205 119.6 . . ?
C200 C205 H205 119.6 . . ?
C207 C206 C211 119.3(3) . . ?
C207 C206 P2 120.7(3) . . ?
C211 C206 P2 119.4(2) . . ?
C206 C207 C208 119.9(3) . . ?
C206 C207 H207 120.0 . . ?
C208 C207 H207 120.0 . . ?
C209 C208 C207 120.5(4) . . ?
C209 C208 H208 119.8 . . ?
C207 C208 H208 119.8 . . ?
C208 C209 C210 120.4(3) . . ?
C208 C209 H209 119.8 . . ?
C210 C209 H209 119.8 . . ?
C209 C210 C211 119.2(3) . . ?
C209 C210 H210 120.4 . . ?
C211 C210 H210 120.4 . . ?
C210 C211 C206 120.6(3) . . ?
C210 C211 H211 119.7 . . ?
C206 C211 H211 119.7 . . ?
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
I1 C1 2.147(3) . ?
I1 Li2 3.1672(12) . ?
S1 P1 1.9971(13) . ?
S1 Li1 2.466(4) . ?
S2 P2 2.0216(14) . ?
S2 Li2 2.461(5) . ?
S2 Li1 2.512(5) . ?
P1 C1 1.750(3) . ?
P1 C100 1.823(3) . ?
P1 C106 1.826(3) . ?
P2 C1 1.745(3) . ?
P2 C206 1.820(3) . ?
P2 C200 1.822(3) . ?
O1 C2 1.422(6) . ?
O1 C2 1.422(6) 2 ?
O1 Li2 1.880(10) . ?
Li1 S1 2.466(4) 2 ?
Li1 S2 2.512(5) 2 ?
Li2 S2 2.461(5) 2 ?
Li2 I1 3.1672(12) 2 ?
C2 C3 1.383(8) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C100 C105 1.388(5) . ?
C100 C101 1.402(5) . ?
C101 C102 1.383(5) . ?
C101 H101 0.9500 . ?
C102 C103 1.375(5) . ?
C102 H102 0.9500 . ?
C103 C104 1.374(5) . ?
C103 H103 0.9500 . ?
C104 C105 1.380(5) . ?
C104 H104 0.9500 . ?
C105 H105 0.9500 . ?
C106 C107 1.376(5) . ?
C106 C111 1.390(5) . ?
C107 C108 1.392(6) . ?
C107 H107 0.9500 . ?
C108 C109 1.362(7) . ?
C108 H108 0.9500 . ?
C109 C110 1.367(6) . ?
C109 H109 0.9500 . ?
C110 C111 1.385(5) . ?
C110 H110 0.9500 . ?
C111 H111 0.9500 . ?
C200 C205 1.385(4) . ?
C200 C201 1.392(4) . ?
C201 C202 1.391(5) . ?
C201 H201 0.9500 . ?
C202 C203 1.367(5) . ?
C202 H202 0.9500 . ?
C203 C204 1.372(5) . ?
C203 H203 0.9500 . ?
C204 C205 1.383(5) . ?
C204 H204 0.9500 . ?
C205 H205 0.9500 . ?
C206 C207 1.382(4) . ?
C206 C211 1.394(5) . ?
C207 C208 1.390(5) . ?
C207 H207 0.9500 . ?
C208 C209 1.372(6) . ?
C208 H208 0.9500 . ?
C209 C210 1.387(5) . ?
C209 H209 0.9500 . ?
C210 C211 1.389(5) . ?
C210 H210 0.9500 . ?
C211 H211 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Li1 S1 P1 C1 9.52(18) . . . . ?
Li1 S1 P1 C100 -114.89(17) . . . . ?
Li1 S1 P1 C106 131.92(17) . . . . ?
Li2 S2 P2 C1 40.4(2) . . . . ?
Li1 S2 P2 C1 -38.71(18) . . . . ?
Li2 S2 P2 C206 -82.2(2) . . . . ?
Li1 S2 P2 C206 -161.23(17) . . . . ?
Li2 S2 P2 C200 165.5(2) . . . . ?
Li1 S2 P2 C200 86.39(17) . . . . ?
P1 S1 Li1 S1 132.30(6) . . . 2 ?
P1 S1 Li1 S2 -98.31(12) . . . 2 ?
P1 S1 Li1 S2 11.4(3) . . . . ?
P1 S1 Li1 Li2 -47.70(6) . . . . ?
P2 S2 Li1 S1 -129.16(13) . . . 2 ?
Li2 S2 Li1 S1 121.15(15) . . . 2 ?
P2 S2 Li1 S1 1.6(3) . . . . ?
Li2 S2 Li1 S1 -108.1(2) . . . . ?
P2 S2 Li1 S2 109.69(5) . . . 2 ?
Li2 S2 Li1 S2 0.0 . . . 2 ?
P2 S2 Li1 Li2 109.69(5) . . . . ?
C2 O1 Li2 S2 -1.1(4) . . . . ?
C2 O1 Li2 S2 178.9(4) 2 . . . ?
C2 O1 Li2 S2 178.9(4) . . . 2 ?
C2 O1 Li2 S2 -1.1(4) 2 . . 2 ?
C2 O1 Li2 I1 -95.1(4) . . . 2 ?
C2 O1 Li2 I1 84.9(4) 2 . . 2 ?
C2 O1 Li2 I1 84.9(4) . . . . ?
C2 O1 Li2 I1 -95.1(4) 2 . . . ?
P2 S2 Li2 O1 83.63(8) . . . . ?
Li1 S2 Li2 O1 180.0 . . . . ?
P2 S2 Li2 S2 -96.37(8) . . . 2 ?
Li1 S2 Li2 S2 0.0 . . . 2 ?
P2 S2 Li2 Li1 -96.37(8) . . . . ?
P2 S2 Li2 I1 -179.83(7) . . . 2 ?
Li1 S2 Li2 I1 -83.46(13) . . . 2 ?
P2 S2 Li2 I1 -8.13(18) . . . . ?
Li1 S2 Li2 I1 88.24(11) . . . . ?
C1 I1 Li2 O1 -141.81(8) . . . . ?
C1 I1 Li2 S2 -14.86(18) . . . . ?
C1 I1 Li2 S2 90.78(17) . . . 2 ?
C1 I1 Li2 Li1 38.19(8) . . . . ?
C1 I1 Li2 I1 38.19(8) . . . 2 ?
C206 P2 C1 P1 -157.7(2) . . . . ?
C200 P2 C1 P1 -44.9(3) . . . . ?
S2 P2 C1 P1 77.7(2) . . . . ?
C206 P2 C1 I1 69.80(17) . . . . ?
C200 P2 C1 I1 -177.41(14) . . . . ?
S2 P2 C1 I1 -54.78(16) . . . . ?
C100 P1 C1 P2 69.1(2) . . . . ?
C106 P1 C1 P2 178.3(2) . . . . ?
S1 P1 C1 P2 -56.8(2) . . . . ?
C100 P1 C1 I1 -160.19(15) . . . . ?
C106 P1 C1 I1 -50.97(19) . . . . ?
S1 P1 C1 I1 73.92(18) . . . . ?
Li2 I1 C1 P2 37.78(17) . . . . ?
Li2 I1 C1 P1 -100.94(18) . . . . ?
C2 O1 C2 C3 -117.0(7) 2 . . . ?
Li2 O1 C2 C3 63.0(7) . . . . ?
C1 P1 C100 C105 -146.1(3) . . . . ?
C106 P1 C100 C105 103.5(3) . . . . ?
S1 P1 C100 C105 -14.0(3) . . . . ?
C1 P1 C100 C101 35.0(3) . . . . ?
C106 P1 C100 C101 -75.3(3) . . . . ?
S1 P1 C100 C101 167.2(2) . . . . ?
C105 C100 C101 C102 1.0(5) . . . . ?
P1 C100 C101 C102 179.8(3) . . . . ?
C100 C101 C102 C103 0.8(5) . . . . ?
C101 C102 C103 C104 -2.1(6) . . . . ?
C102 C103 C104 C105 1.6(6) . . . . ?
C103 C104 C105 C100 0.2(6) . . . . ?
C101 C100 C105 C104 -1.4(5) . . . . ?
P1 C100 C105 C104 179.7(3) . . . . ?
C1 P1 C106 C107 145.5(3) . . . . ?
C100 P1 C106 C107 -102.9(3) . . . . ?
S1 P1 C106 C107 14.3(4) . . . . ?
C1 P1 C106 C111 -35.9(3) . . . . ?
C100 P1 C106 C111 75.7(3) . . . . ?
S1 P1 C106 C111 -167.1(3) . . . . ?
C111 C106 C107 C108 -0.2(7) . . . . ?
P1 C106 C107 C108 178.4(4) . . . . ?
C106 C107 C108 C109 1.4(8) . . . . ?
C107 C108 C109 C110 -1.4(9) . . . . ?
C108 C109 C110 C111 0.3(7) . . . . ?
C109 C110 C111 C106 0.8(6) . . . . ?
C107 C106 C111 C110 -0.8(6) . . . . ?
P1 C106 C111 C110 -179.5(3) . . . . ?
C1 P2 C200 C205 74.7(3) . . . . ?
C206 P2 C200 C205 -171.4(3) . . . . ?
S2 P2 C200 C205 -55.1(3) . . . . ?
C1 P2 C200 C201 -108.9(3) . . . . ?
C206 P2 C200 C201 4.9(3) . . . . ?
S2 P2 C200 C201 121.3(3) . . . . ?
C205 C200 C201 C202 -0.2(5) . . . . ?
P2 C200 C201 C202 -176.6(3) . . . . ?
C200 C201 C202 C203 -1.6(6) . . . . ?
C201 C202 C203 C204 1.3(6) . . . . ?
C202 C203 C204 C205 0.8(6) . . . . ?
C203 C204 C205 C200 -2.6(6) . . . . ?
C201 C200 C205 C204 2.2(5) . . . . ?
P2 C200 C205 C204 178.6(3) . . . . ?
C1 P2 C206 C207 -152.3(3) . . . . ?
C200 P2 C206 C207 90.6(3) . . . . ?
S2 P2 C206 C207 -22.7(3) . . . . ?
C1 P2 C206 C211 36.2(3) . . . . ?
C200 P2 C206 C211 -80.9(3) . . . . ?
S2 P2 C206 C211 165.8(2) . . . . ?
C211 C206 C207 C208 1.7(5) . . . . ?
P2 C206 C207 C208 -169.8(3) . . . . ?
C206 C207 C208 C209 -0.4(5) . . . . ?
C207 C208 C209 C210 -0.7(6) . . . . ?
C208 C209 C210 C211 0.6(5) . . . . ?
C209 C210 C211 C206 0.8(5) . . . . ?
C207 C206 C211 C210 -1.9(5) . . . . ?
P2 C206 C211 C210 169.7(3) . . . . ?
