#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/77/2217743.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2217743
loop_
_publ_author_name
'Hartung, Jens'
'Schneiders, Nina'
'Svoboda, Ingrid'
'Fuess, Hartmut'
_publ_section_title
;
 Poly[ethanolbis(μ₃-2-thioxo-1,2-dihydropyridin-1-olato)dilithium(I)]
;
_journal_coeditor_code           CV2377
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m462
_journal_page_last               m463
_journal_paper_doi               10.1107/S1600536808003619
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Li2 (C5 H4 N O S)2 (C2 H6 O)]'
_chemical_formula_moiety         'C12 H14 Li2 N2 O3 S2'
_chemical_formula_sum            'C12 H14 Li2 N2 O3 S2'
_chemical_formula_weight         312.25
_chemical_name_systematic
;
Poly[ethanolbis(μ₃-2-thioxo-1,2-dihydropyridine-1-olato)dilithium(I)]
;
_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                 119.31(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.492(7)
_cell_length_b                   7.047(2)
_cell_length_c                   20.881(7)
_cell_measurement_reflns_used    1033
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      20.584
_cell_measurement_theta_min      2.213
_cell_volume                     2886.0(19)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2006)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      300(2)
_diffrn_detector_area_resol_mean 8.4012
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type
;
Oxford Diffraction Xcalibur diffractometer with a Sapphire CCD detector
;
_diffrn_measurement_method
;
rotation method data acquisition using ω and φ
;
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0865
_diffrn_reflns_av_sigmaI/netI    0.2767
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            16998
_diffrn_reflns_theta_full        26.36
_diffrn_reflns_theta_max         26.36
_diffrn_reflns_theta_min         4.09
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.375
_exptl_absorpt_correction_T_max  0.9706
_exptl_absorpt_correction_T_min  0.8348
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[CrysAlis RED (Oxford Diffraction , 2006); analytical numeric absorption
correction using a multifaceted crystal model based on expressions derived by
Clark & Reid (1995)]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.439
_refine_diff_density_min         -0.316
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.707
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         5597
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.707
_refine_ls_R_factor_all          0.2049
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.073
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.039P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0802
_refine_ls_wR_factor_ref         0.0998
_reflns_number_gt                1539
_reflns_number_total             5597
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            cv2377.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     -P2ybc
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2217743
_cod_database_fobs_code          2217743
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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
C C1 0.3919(2) -0.1763(6) 0.4763(2) 0.0295(12) Uani d . 1
C C2 0.4254(2) -0.1700(6) 0.4334(3) 0.0386(14) Uani d . 1
H H2 0.4699 -0.1245 0.4558 0.046 Uiso calc R 1
C C3 0.3978(3) -0.2239(7) 0.3642(3) 0.0458(14) Uani d . 1
H H3 0.4214 -0.2175 0.3381 0.055 Uiso calc R 1
C C4 0.3336(3) -0.2888(7) 0.3338(3) 0.0447(15) Uani d . 1
H H4 0.3113 -0.3282 0.2851 0.054 Uiso calc R 1
C C5 0.3001(2) -0.2975(6) 0.3752(3) 0.0402(14) Uani d . 1
H H5 0.2557 -0.3438 0.3529 0.048 Uiso calc R 1
C C6 0.2170(2) 0.0318(6) 0.6268(3) 0.0319(12) Uani d . 1
C C7 0.1856(3) 0.0303(7) 0.6722(3) 0.0438(14) Uani d . 1
H H7 0.2122 0.0646 0.7212 0.053 Uiso calc R 1
C C8 0.1214(3) -0.0163(6) 0.6493(3) 0.0486(15) Uani d . 1
H H8 0.1028 -0.0120 0.6805 0.058 Uiso calc R 1
C C9 0.0846(3) -0.0697(6) 0.5797(3) 0.0407(14) Uani d . 1
H H9 0.0395 -0.1073 0.5609 0.049 Uiso calc R 1
C C10 0.1149(3) -0.0686(6) 0.5349(3) 0.0409(14) Uani d . 1
H H10 0.0887 -0.1059 0.4861 0.049 Uiso calc R 1
C C11 0.1076(2) 0.4132(6) 0.5198(2) 0.0330(13) Uani d . 1
C C12 0.0749(2) 0.4095(6) 0.5644(3) 0.0365(13) Uani d . 1
H H12 0.0301 0.3665 0.5432 0.044 Uiso calc R 1
C C13 0.1047(3) 0.4630(7) 0.6326(3) 0.0492(15) Uani d . 1
H H13 0.0824 0.4585 0.6602 0.059 Uiso calc R 1
C C14 0.1692(3) 0.5252(7) 0.6615(3) 0.0461(15) Uani d . 1
H H14 0.1929 0.5617 0.7105 0.055 Uiso calc R 1
C C15 0.2008(2) 0.5354(6) 0.6187(3) 0.0383(13) Uani d . 1
H H15 0.2450 0.5824 0.6396 0.046 Uiso calc R 1
C C16 0.2826(2) 0.2062(6) 0.3712(3) 0.0328(12) Uani d . 1
C C17 0.3156(3) 0.2097(6) 0.3269(2) 0.0377(13) Uani d . 1
H H17 0.2897 0.1730 0.2781 0.045 Uiso calc R 1
C C18 0.3795(3) 0.2606(6) 0.3499(3) 0.0430(14) Uani d . 1
H H18 0.3982 0.2626 0.3189 0.052 Uiso calc R 1
C C19 0.4145(2) 0.3083(6) 0.4196(3) 0.0422(14) Uani d . 1
H H19 0.4598 0.3455 0.4390 0.051 Uiso calc R 1
C C20 0.3856(2) 0.3042(6) 0.4644(2) 0.0361(14) Uani d . 1
H H20 0.4122 0.3381 0.5134 0.043 Uiso calc R 1
C C21 0.4071(3) 0.5216(9) 0.6919(3) 0.104(2) Uani d . 1
H H21A 0.3826 0.4409 0.7088 0.125 Uiso calc R 1
H H21B 0.4172 0.6405 0.7186 0.125 Uiso calc R 1
C C22 0.4667(4) 0.4349(10) 0.7052(4) 0.189(4) Uani d . 1
H H22A 0.4565 0.3245 0.6747 0.227 Uiso calc R 1
H H22B 0.4918 0.3981 0.7559 0.227 Uiso calc R 1
H H22C 0.4935 0.5216 0.6944 0.227 Uiso calc R 1
C C23 0.0849(4) -0.2585(12) 0.3053(4) 0.145(3) Uani d . 1
H H23A 0.1082 -0.1707 0.2893 0.174 Uiso calc R 1
H H23B 0.0715 -0.3695 0.2738 0.174 Uiso calc R 1
C C24 0.0319(4) -0.1783(11) 0.3032(6) 0.220(6) Uani d . 1
H H24A 0.0463 -0.0711 0.3358 0.264 Uiso calc R 1
H H24B 0.0090 -0.2679 0.3184 0.264 Uiso calc R 1
H H24C 0.0013 -0.1367 0.2541 0.264 Uiso calc R 1
Li Li1 0.3025(4) 0.0014(11) 0.5407(4) 0.041(2) Uani d . 1
Li Li2 0.1956(4) 0.2363(11) 0.4551(4) 0.038(2) Uani d . 1
N N1 0.3283(2) -0.2435(5) 0.4436(2) 0.0319(10) Uani d . 1
N N2 0.1786(2) -0.0174(5) 0.5582(2) 0.0278(10) Uani d . 1
N N3 0.1707(2) 0.4819(5) 0.5507(2) 0.0324(10) Uani d . 1
N N4 0.3213(2) 0.2539(5) 0.4404(2) 0.0297(10) Uani d . 1
O O1 0.29231(15) -0.2565(4) 0.48172(16) 0.0402(9) Uani d . 1
O O2 0.20416(14) -0.0166(4) 0.51000(15) 0.0331(9) Uani d . 1
O O3 0.20569(14) 0.4927(4) 0.51171(15) 0.0340(9) Uani d . 1
O O4 0.29464(15) 0.2503(4) 0.48815(15) 0.0363(9) Uani d . 1
O O5 0.36826(15) 0.5544(5) 0.61947(16) 0.0843(12) Uani d . 1
H H5A 0.3835 0.6455 0.6078 0.101 Uiso calc R 1
O O6 0.12663(16) -0.3096(5) 0.37800(19) 0.1027(15) Uani d . 1
H H6A 0.1102 -0.4016 0.3878 0.123 Uiso calc R 1
Li Li3 0.1999(4) -0.2468(13) 0.4565(5) 0.060(3) Uani d . 1
Li Li4 0.2976(5) 0.4811(15) 0.5386(5) 0.082(4) Uani d . 1
S S1 0.42243(5) -0.10135(16) 0.56162(6) 0.0439(3) Uani d . 1
S S2 0.29818(6) 0.08162(19) 0.65231(6) 0.0561(4) Uani d . 1
S S3 0.07545(5) 0.33344(16) 0.43499(6) 0.0461(4) Uani d . 1
S S4 0.20225(6) 0.15195(19) 0.34460(6) 0.0591(4) Uani d . 1
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'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N1 C1 C2 . . 116.9(4)
N1 C1 S1 . . 116.2(4)
C2 C1 S1 . . 126.9(4)
N1 C1 C20 . . 108.7(3)
C2 C1 C20 . . 86.5(3)
S1 C1 C20 . . 74.97(17)
C3 C2 C1 . . 124.7(5)
C3 C2 C19 . . 102.6(3)
C1 C2 C19 . . 92.6(3)
C3 C2 H2 . . 117.6
C1 C2 H2 . . 117.6
C19 C2 H2 . . 73.4
C2 C3 C4 . . 115.9(5)
C2 C3 C18 . . 77.3(3)
C4 C3 C18 . . 104.0(3)
C2 C3 H3 . . 122.0
C4 C3 H3 . . 122.0
C18 C3 H3 . . 88.8
C3 C4 C5 . . 120.3(5)
C3 C4 C17 . . 75.9(3)
C5 C4 C17 . . 89.0(3)
C3 C4 H4 . . 119.9
C5 C4 H4 . . 119.9
C17 C4 H4 . . 105.2
N1 C5 C4 . . 122.9(5)
N1 C5 C16 . . 74.0(3)
C4 C5 C16 . . 91.6(3)
N1 C5 H5 . . 118.6
C4 C5 H5 . . 118.6
C16 C5 H5 . . 105.0
N2 C6 C7 . . 116.6(5)
N2 C6 S2 . . 116.0(4)
C7 C6 S2 . . 127.4(4)
N2 C6 C15 . . 102.4(3)
C7 C6 C15 . . 88.1(3)
S2 C6 C15 . . 82.90(18)
C8 C7 C6 . . 124.6(5)
C8 C7 C14 . . 99.4(3)
C6 C7 C14 . . 91.2(3)
C8 C7 H7 . . 117.7
C6 C7 H7 . . 117.7
C14 C7 H7 . . 78.6
C7 C8 C9 . . 116.8(5)
C7 C8 C13 . . 80.6(3)
C9 C8 C13 . . 101.0(3)
C7 C8 H8 . . 121.6
C9 C8 H8 . . 121.6
C13 C8 H8 . . 88.5
C8 C9 C10 . . 118.9(5)
C8 C9 C12 . . 78.3(3)
C10 C9 C12 . . 87.8(3)
C8 C9 H9 . . 120.5
C10 C9 H9 . . 120.5
C12 C9 H9 . . 103.7
N2 C10 C9 . . 123.4(5)
N2 C10 C11 . . 75.9(3)
C9 C10 C11 . . 92.9(3)
N2 C10 H10 . . 118.3
C9 C10 H10 . . 118.3
C11 C10 H10 . . 101.8
N3 C11 C12 . . 117.0(4)
N3 C11 S3 . . 116.6(4)
C12 C11 S3 . . 126.4(4)
N3 C11 C10 . . 109.0(3)
C12 C11 C10 . . 86.5(3)
S3 C11 C10 . . 74.68(17)
C13 C12 C11 . . 123.5(5)
C13 C12 C9 . . 102.2(3)
C11 C12 C9 . . 92.8(3)
C13 C12 H12 . . 118.3
C11 C12 H12 . . 118.3
C9 C12 H12 . . 74.0
C12 C13 C14 . . 116.8(5)
C12 C13 C8 . . 78.2(3)
C14 C13 C8 . . 103.7(3)
C12 C13 H13 . . 121.6
C14 C13 H13 . . 121.6
C8 C13 H13 . . 88.2
C13 C14 C15 . . 120.6(5)
C13 C14 C7 . . 76.2(3)
C15 C14 C7 . . 91.3(3)
C13 C14 H14 . . 119.7
C15 C14 H14 . . 119.7
C7 C14 H14 . . 102.7
N3 C15 C14 . . 122.3(5)
N3 C15 C6 . . 75.4(3)
C14 C15 C6 . . 89.4(3)
N3 C15 H15 . . 118.9
C14 C15 H15 . . 118.9
C6 C15 H15 . . 105.7
N4 C16 C17 . . 115.5(4)
N4 C16 S4 . . 116.9(4)
C17 C16 S4 . . 127.5(4)
N4 C16 C5 . . 102.9(3)
C17 C16 C5 . . 87.0(3)
S4 C16 C5 . . 82.39(18)
C18 C17 C16 . . 125.5(5)
C18 C17 C4 . . 99.9(3)
C16 C17 C4 . . 92.4(3)
C18 C17 H17 . . 117.2
C16 C17 H17 . . 117.2
C4 C17 H17 . . 76.4
C19 C18 C17 . . 115.3(5)
C19 C18 C3 . . 100.1(3)
C17 C18 C3 . . 79.9(3)
C19 C18 H18 . . 122.4
C17 C18 H18 . . 122.4
C3 C18 H18 . . 90.0
C18 C19 C20 . . 121.3(5)
C18 C19 C2 . . 79.6(3)
C20 C19 C2 . . 87.7(3)
C18 C19 H19 . . 119.4
C20 C19 H19 . . 119.4
C2 C19 H19 . . 103.0
N4 C20 C19 . . 122.7(4)
N4 C20 C1 . . 76.1(3)
C19 C20 C1 . . 93.1(3)
N4 C20 H20 . . 118.6
C19 C20 H20 . . 118.6
C1 C20 H20 . . 101.2
O5 C21 C22 . . 109.6(6)
O5 C21 H21A . . 109.7
C22 C21 H21A . . 109.7
O5 C21 H21B . . 109.7
C22 C21 H21B . . 109.7
H21A C21 H21B . . 108.2
C21 C22 H22A . . 109.5
C21 C22 H22B . . 109.5
H22A C22 H22B . . 109.5
C21 C22 H22C . . 109.5
H22A C22 H22C . . 109.5
H22B C22 H22C . . 109.5
C24 C23 O6 . . 105.5(8)
C24 C23 H23A . . 110.7
O6 C23 H23A . . 110.7
C24 C23 H23B . . 110.6
O6 C23 H23B . . 110.6
H23A C23 H23B . . 108.8
C23 C24 H24A . . 109.4
C23 C24 H24B . . 109.5
H24A C24 H24B . . 109.5
C23 C24 H24C . . 109.5
H24A C24 H24C . . 109.5
H24B C24 H24C . . 109.5
O2 Li1 O4 . . 95.3(3)
O2 Li1 O1 . . 88.4(3)
O4 Li1 O1 . . 117.7(4)
O2 Li1 S2 . . 76.4(3)
O4 Li1 S2 . . 106.4(3)
O1 Li1 S2 . . 134.5(4)
O2 Li1 S1 . . 158.8(4)
O4 Li1 S1 . . 98.0(3)
O1 Li1 S1 . . 70.9(2)
S2 Li1 S1 . . 115.1(3)
O2 Li1 Li3 . . 45.2(2)
O4 Li1 Li3 . . 112.4(3)
O1 Li1 Li3 . . 43.2(2)
S2 Li1 Li3 . . 110.2(3)
S1 Li1 Li3 . . 114.0(3)
O2 Li1 Li2 . . 49.0(2)
O4 Li1 Li2 . . 46.3(2)
O1 Li1 Li2 . . 109.0(3)
S2 Li1 Li2 . . 92.9(3)
S1 Li1 Li2 . . 141.3(3)
Li3 Li1 Li2 . . 76.9(2)
O2 Li1 Li4 . . 92.1(3)
O4 Li1 Li4 . . 30.2(2)
O1 Li1 Li4 . . 147.8(3)
S2 Li1 Li4 . . 76.4(2)
S1 Li1 Li4 . . 107.7(2)
Li3 Li1 Li4 . . 128.2(3)
Li2 Li1 Li4 . . 51.3(2)
O4 Li2 O2 . . 93.8(3)
O4 Li2 O3 . . 88.2(3)
O2 Li2 O3 . . 118.1(4)
O4 Li2 S4 . . 76.4(3)
O2 Li2 S4 . . 106.2(3)
O3 Li2 S4 . . 134.0(4)
O4 Li2 S3 . . 159.8(4)
O2 Li2 S3 . . 97.0(3)
O3 Li2 S3 . . 71.6(2)
S4 Li2 S3 . . 116.5(3)
O4 Li2 Li4 . . 45.0(3)
O2 Li2 Li4 . . 111.7(3)
O3 Li2 Li4 . . 43.1(3)
S4 Li2 Li4 . . 109.7(3)
S3 Li2 Li4 . . 114.8(3)
O4 Li2 Li1 . . 47.7(2)
O2 Li2 Li1 . . 46.1(2)
O3 Li2 Li1 . . 109.4(3)
S4 Li2 Li1 . . 91.7(2)
S3 Li2 Li1 . . 140.4(3)
Li4 Li2 Li1 . . 76.7(3)
O4 Li2 Li3 . . 91.4(3)
O2 Li2 Li3 . . 31.0(2)
O3 Li2 Li3 . . 148.9(3)
S4 Li2 Li3 . . 75.6(2)
S3 Li2 Li3 . . 106.6(2)
Li4 Li2 Li3 . . 128.2(3)
Li1 Li2 Li3 . . 51.57(19)
C5 N1 C1 . . 119.3(4)
C5 N1 O1 . . 120.0(4)
C1 N1 O1 . . 120.6(4)
C5 N1 N4 . . 106.1(3)
C1 N1 N4 . . 71.5(2)
O1 N1 N4 . . 92.5(2)
C6 N2 C10 . . 119.5(4)
C6 N2 O2 . . 120.7(4)
C10 N2 O2 . . 119.7(4)
C6 N2 N3 . . 77.0(3)
C10 N2 N3 . . 103.6(3)
O2 N2 N3 . . 89.6(2)
C15 N3 C11 . . 119.9(4)
C15 N3 O3 . . 119.2(4)
C11 N3 O3 . . 120.9(4)
C15 N3 N2 . . 104.8(3)
C11 N3 N2 . . 71.1(3)
O3 N3 N2 . . 92.9(2)
C16 N4 C20 . . 119.6(4)
C16 N4 O4 . . 119.9(4)
C20 N4 O4 . . 120.5(4)
C16 N4 N1 . . 76.4(3)
C20 N4 N1 . . 103.2(3)
O4 N4 N1 . . 90.0(2)
N1 O1 Li3 . . 135.4(4)
N1 O1 Li1 . . 110.2(3)
Li3 O1 Li1 . . 85.6(3)
N1 O1 Li4 . 1_545 118.6(4)
Li3 O1 Li4 . 1_545 86.6(4)
Li1 O1 Li4 . 1_545 116.5(4)
N2 O2 Li3 . . 119.6(4)
N2 O2 Li1 . . 124.1(3)
Li3 O2 Li1 . . 88.5(4)
N2 O2 Li2 . . 116.5(3)
Li3 O2 Li2 . . 115.7(4)
Li1 O2 Li2 . . 84.9(3)
N3 O3 Li4 . . 133.4(4)
N3 O3 Li2 . . 110.3(3)
Li4 O3 Li2 . . 86.0(4)
N3 O3 Li3 . 1_565 117.6(3)
Li4 O3 Li3 . 1_565 88.1(4)
Li2 O3 Li3 . 1_565 118.1(3)
N4 O4 Li4 . . 117.8(4)
N4 O4 Li2 . . 123.7(3)
Li4 O4 Li2 . . 88.0(4)
N4 O4 Li1 . . 116.6(3)
Li4 O4 Li1 . . 117.7(4)
Li2 O4 Li1 . . 86.0(3)
C21 O5 Li4 . . 145.4(5)
C21 O5 H5A . . 109.5
Li4 O5 H5A . . 105.1
C23 O6 Li3 . . 142.8(5)
C23 O6 H6A . . 109.5
Li3 O6 H6A . . 107.7
O6 Li3 O1 . . 132.1(5)
O6 Li3 O2 . . 121.2(5)
O1 Li3 O2 . . 97.6(4)
O6 Li3 O3 . 1_545 94.0(4)
O1 Li3 O3 . 1_545 92.9(4)
O2 Li3 O3 . 1_545 115.7(4)
O6 Li3 Li1 . . 152.8(5)
O1 Li3 Li1 . . 51.3(3)
O2 Li3 Li1 . . 46.3(3)
O3 Li3 Li1 1_545 . 113.1(3)
O6 Li3 Li4 . 1_545 120.6(4)
O1 Li3 Li4 . 1_545 51.0(3)
O2 Li3 Li4 . 1_545 114.7(4)
O3 Li3 Li4 1_545 1_545 41.9(3)
Li1 Li3 Li4 . 1_545 83.2(3)
O6 Li3 Li2 . . 103.9(4)
O1 Li3 Li2 . . 93.5(3)
O2 Li3 Li2 . . 33.3(2)
O3 Li3 Li2 1_545 . 149.0(3)
Li1 Li3 Li2 . . 51.57(19)
Li4 Li3 Li2 1_545 . 134.7(3)
O5 Li4 O3 . . 129.3(6)
O5 Li4 O4 . . 123.7(5)
O3 Li4 O4 . . 97.9(4)
O5 Li4 O1 . 1_565 93.3(5)
O3 Li4 O1 . 1_565 92.4(4)
O4 Li4 O1 . 1_565 116.3(5)
O5 Li4 Li2 . . 153.8(6)
O3 Li4 Li2 . . 50.9(3)
O4 Li4 Li2 . . 47.0(3)
O1 Li4 Li2 1_565 . 112.8(4)
O5 Li4 Li3 . 1_565 117.7(5)
O3 Li4 Li3 . 1_565 50.1(3)
O4 Li4 Li3 . 1_565 116.1(4)
O1 Li4 Li3 1_565 1_565 42.4(3)
Li2 Li4 Li3 . 1_565 83.0(3)
O5 Li4 Li1 . . 106.0(4)
O3 Li4 Li1 . . 94.1(4)
O4 Li4 Li1 . . 32.1(3)
O1 Li4 Li1 1_565 . 148.4(4)
Li2 Li4 Li1 . . 52.0(2)
Li3 Li4 Li1 1_565 . 135.0(3)
C1 S1 Li1 . . 93.3(2)
C6 S2 Li1 . . 101.2(2)
C11 S3 Li2 . . 92.4(2)
C16 S4 Li2 . . 100.8(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 N1 . 1.335(5)
C1 C2 . 1.427(6)
C1 S1 . 1.651(5)
C2 C3 . 1.318(6)
C2 H2 . 0.9300
C3 C4 . 1.342(6)
C3 H3 . 0.9300
C4 C5 . 1.399(6)
C4 H4 . 0.9300
C5 N1 . 1.304(5)
C5 H5 . 0.9300
C6 N2 . 1.306(5)
C6 C7 . 1.433(6)
C6 S2 . 1.670(5)
C7 C8 . 1.321(6)
C7 H7 . 0.9300
C8 C9 . 1.328(6)
C8 H8 . 0.9300
C9 C10 . 1.401(6)
C9 H9 . 0.9300
C10 N2 . 1.318(5)
C10 H10 . 0.9300
C11 N3 . 1.331(5)
C11 C12 . 1.441(6)
C11 S3 . 1.649(5)
C12 C13 . 1.299(5)
C12 H12 . 0.9300
C13 C14 . 1.343(6)
C13 H13 . 0.9300
C14 C15 . 1.389(6)
C14 H14 . 0.9300
C15 N3 . 1.293(5)
C15 H15 . 0.9300
C16 N4 . 1.314(5)
C16 C17 . 1.439(6)
C16 S4 . 1.656(5)
C17 C18 . 1.323(5)
C17 H17 . 0.9300
C18 C19 . 1.315(5)
C18 H18 . 0.9300
C19 C20 . 1.377(6)
C19 H19 . 0.9300
C20 N4 . 1.326(5)
C20 H20 . 0.9300
C21 O5 . 1.346(5)
C21 C22 . 1.372(7)
C21 H21A . 0.9700
C21 H21B . 0.9700
C22 H22A . 0.9600
C22 H22B . 0.9600
C22 H22C . 0.9600
C23 C24 . 1.301(8)
C23 O6 . 1.386(7)
C23 H23A . 0.9700
C23 H23B . 0.9700
C24 H24A . 0.9600
C24 H24B . 0.9600
C24 H24C . 0.9600
Li1 O2 . 1.982(8)
Li1 O4 . 2.030(8)
Li1 O1 . 2.144(8)
Li1 S2 . 2.446(8)
Li1 S1 . 2.616(8)
Li1 Li3 . 2.740(9)
Li1 Li2 . 2.740(8)
Li1 Li4 . 3.382(12)
Li2 O4 . 1.986(8)
Li2 O2 . 2.077(8)
Li2 O3 . 2.110(8)
Li2 S4 . 2.457(8)
Li2 S3 . 2.615(8)
Li2 Li4 . 2.713(11)
Li2 Li3 . 3.406(10)
N1 O1 . 1.389(5)
N2 O2 . 1.382(4)
N3 O3 . 1.384(4)
N4 O4 . 1.392(4)
O1 Li3 . 1.880(9)
O1 Li4 1_545 2.170(11)
O2 Li3 . 1.945(9)
O3 Li4 . 1.860(10)
O3 Li3 1_565 2.137(10)
O4 Li4 . 1.921(10)
O5 Li4 . 1.737(9)
O5 H5A . 0.8200
O6 Li3 . 1.718(8)
O6 H6A . 0.8200
Li3 O3 1_545 2.137(10)
Li3 Li4 1_545 2.785(11)
Li4 O1 1_565 2.170(11)
Li4 Li3 1_565 2.785(11)
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Cg1 Cg2 3.470(6) . y
Cg1 Cg2 3.596(6) 1_565 y
Cg2 Cg1 3.596(6) 1_545 n
Cg3 Cg4 3.461(6) . y
Cg3 Cg4 3.607(6) 1_565 y
Cg4 Cg3 3.607(6) 1_545 n
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O5 H5A S1 1_565 0.82 2.39 3.205(3) 174.3
O6 H6A S3 1_545 0.82 2.41 3.226(4) 171.6
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
N1 C1 C2 C3 . . 0.6(7)
S1 C1 C2 C3 . . -176.9(4)
C20 C1 C2 C3 . . -108.6(5)
N1 C1 C2 C19 . . 108.0(4)
S1 C1 C2 C19 . . -69.5(4)
C20 C1 C2 C19 . . -1.25(14)
C1 C2 C3 C4 . . -0.1(8)
C19 C2 C3 C4 . . -102.3(4)
C1 C2 C3 C18 . . 99.5(5)
C19 C2 C3 C18 . . -2.76(16)
C2 C3 C4 C5 . . -0.4(7)
C18 C3 C4 C5 . . -83.0(5)
C2 C3 C4 C17 . . 79.9(4)
C18 C3 C4 C17 . . -2.60(16)
C3 C4 C5 N1 . . 0.4(8)
C17 C4 C5 N1 . . -72.6(5)
C3 C4 C5 C16 . . 72.4(5)
C17 C4 C5 C16 . . -0.62(14)
N2 C6 C7 C8 . . -0.2(8)
S2 C6 C7 C8 . . -177.7(4)
C15 C6 C7 C8 . . 102.7(5)
N2 C6 C7 C14 . . -102.4(4)
S2 C6 C7 C14 . . 80.1(4)
C15 C6 C7 C14 . . 0.49(14)
C6 C7 C8 C9 . . 1.7(8)
C14 C7 C8 C9 . . 99.8(4)
C6 C7 C8 C13 . . -95.9(5)
C14 C7 C8 C13 . . 2.11(16)
C7 C8 C9 C10 . . -1.7(7)
C13 C8 C9 C10 . . 83.2(5)
C7 C8 C9 C12 . . -82.5(4)
C13 C8 C9 C12 . . 2.41(15)
C8 C9 C10 N2 . . 0.2(8)
C12 C9 C10 N2 . . 75.5(5)
C8 C9 C10 C11 . . -74.8(4)
C12 C9 C10 C11 . . 0.57(14)
N2 C10 C11 N3 . . -7.8(3)
C9 C10 C11 N3 . . 116.0(4)
N2 C10 C11 C12 . . -125.1(4)
C9 C10 C11 C12 . . -1.3(3)
N2 C10 C11 S3 . . 105.6(3)
C9 C10 C11 S3 . . -130.6(4)
N3 C11 C12 C13 . . -2.4(7)
S3 C11 C12 C13 . . 175.2(4)
C10 C11 C12 C13 . . 107.2(5)
N3 C11 C12 C9 . . -109.0(4)
S3 C11 C12 C9 . . 68.6(4)
C10 C11 C12 C9 . . 0.55(14)
C8 C9 C12 C13 . . -6.4(4)
C10 C9 C12 C13 . . -126.5(5)
C8 C9 C12 C11 . . 118.8(5)
C10 C9 C12 C11 . . -1.3(3)
C11 C12 C13 C14 . . 0.3(8)
C9 C12 C13 C14 . . 102.0(4)
C11 C12 C13 C8 . . -99.2(5)
C9 C12 C13 C8 . . 2.48(16)
C7 C8 C13 C12 . . 109.4(5)
C9 C8 C13 C12 . . -6.3(4)
C7 C8 C13 C14 . . -5.6(4)
C9 C8 C13 C14 . . -121.3(5)
C12 C13 C14 C15 . . 1.8(8)
C8 C13 C14 C15 . . 85.3(5)
C12 C13 C14 C7 . . -81.4(4)
C8 C13 C14 C7 . . 2.15(16)
C8 C7 C14 C13 . . -5.4(4)
C6 C7 C14 C13 . . 120.0(5)
C8 C7 C14 C15 . . -126.7(5)
C6 C7 C14 C15 . . -1.2(4)
C13 C14 C15 N3 . . -1.8(8)
C7 C14 C15 N3 . . 72.8(5)
C13 C14 C15 C6 . . -74.1(5)
C7 C14 C15 C6 . . 0.50(14)
N2 C6 C15 N3 . . -8.0(3)
C7 C6 C15 N3 . . -124.9(4)
S2 C6 C15 N3 . . 107.1(4)
N2 C6 C15 C14 . . 115.6(4)
C7 C6 C15 C14 . . -1.2(4)
S2 C6 C15 C14 . . -129.3(4)
N1 C5 C16 N4 . . 9.9(4)
C4 C5 C16 N4 . . -114.0(4)
N1 C5 C16 C17 . . 125.4(4)
C4 C5 C16 C17 . . 1.5(3)
N1 C5 C16 S4 . . -106.1(4)
C4 C5 C16 S4 . . 130.0(4)
N4 C16 C17 C18 . . -1.8(8)
S4 C16 C17 C18 . . 177.4(4)
C5 C16 C17 C18 . . -104.6(5)
N4 C16 C17 C4 . . 102.2(4)
S4 C16 C17 C4 . . -78.6(4)
C5 C16 C17 C4 . . -0.60(14)
C3 C4 C17 C18 . . 6.7(4)
C5 C4 C17 C18 . . 128.3(4)
C3 C4 C17 C16 . . -120.1(5)
C5 C4 C17 C16 . . 1.5(3)
C16 C17 C18 C19 . . 1.1(8)
C4 C17 C18 C19 . . -99.1(4)
C16 C17 C18 C3 . . 97.7(5)
C4 C17 C18 C3 . . -2.56(16)
C2 C3 C18 C19 . . 7.1(4)
C4 C3 C18 C19 . . 121.0(5)
C2 C3 C18 C17 . . -107.1(5)
C4 C3 C18 C17 . . 6.8(4)
C17 C18 C19 C20 . . 0.0(7)
C3 C18 C19 C20 . . -83.5(5)
C17 C18 C19 C2 . . 80.8(4)
C3 C18 C19 C2 . . -2.72(15)
C3 C2 C19 C18 . . 7.2(4)
C1 C2 C19 C18 . . -119.3(5)
C3 C2 C19 C20 . . 129.6(5)
C1 C2 C19 C20 . . 3.1(3)
C18 C19 C20 N4 . . -0.4(8)
C2 C19 C20 N4 . . -76.8(4)
C18 C19 C20 C1 . . 75.0(5)
C2 C19 C20 C1 . . -1.30(14)
N1 C1 C20 N4 . . 8.8(3)
C2 C1 C20 N4 . . 126.1(4)
S1 C1 C20 N4 . . -104.2(3)
N1 C1 C20 C19 . . -114.2(4)
C2 C1 C20 C19 . . 3.1(3)
S1 C1 C20 C19 . . 132.8(4)
O2 Li1 Li2 O4 . . 179.1(5)
O1 Li1 Li2 O4 . . -110.6(4)
S2 Li1 Li2 O4 . . 110.0(4)
S1 Li1 Li2 O4 . . -27.8(4)
Li3 Li1 Li2 O4 . . -139.9(3)
Li4 Li1 Li2 O4 . . 40.0(3)
O4 Li1 Li2 O2 . . -179.1(5)
O1 Li1 Li2 O2 . . 70.2(3)
S2 Li1 Li2 O2 . . -69.1(3)
S1 Li1 Li2 O2 . . 153.0(6)
Li3 Li1 Li2 O2 . . 40.9(3)
Li4 Li1 Li2 O2 . . -139.1(3)
O2 Li1 Li2 O3 . . 110.7(4)
O4 Li1 Li2 O3 . . -68.5(3)
O1 Li1 Li2 O3 . . -179.1(4)
S2 Li1 Li2 O3 . . 41.5(3)
S1 Li1 Li2 O3 . . -96.3(5)
Li3 Li1 Li2 O3 . . 151.6(3)
Li4 Li1 Li2 O3 . . -28.5(3)
O2 Li1 Li2 S4 . . -111.0(3)
O4 Li1 Li2 S4 . . 69.8(3)
O1 Li1 Li2 S4 . . -40.8(3)
S2 Li1 Li2 S4 . . 179.8(3)
S1 Li1 Li2 S4 . . 42.0(5)
Li3 Li1 Li2 S4 . . -70.1(2)
Li4 Li1 Li2 S4 . . 109.8(3)
O2 Li1 Li2 S3 . . 26.3(4)
O4 Li1 Li2 S3 . . -152.9(6)
O1 Li1 Li2 S3 . . 96.5(5)
S2 Li1 Li2 S3 . . -42.9(5)
S1 Li1 Li2 S3 . . 179.3(4)
Li3 Li1 Li2 S3 . . 67.2(5)
Li4 Li1 Li2 S3 . . -112.9(5)
O2 Li1 Li2 Li4 . . 139.1(3)
O4 Li1 Li2 Li4 . . -40.0(3)
O1 Li1 Li2 Li4 . . -150.6(3)
S2 Li1 Li2 Li4 . . 70.0(3)
S1 Li1 Li2 Li4 . . -67.8(5)
Li3 Li1 Li2 Li4 . . -179.9(3)
O2 Li1 Li2 Li3 . . -40.9(3)
O4 Li1 Li2 Li3 . . 139.9(3)
O1 Li1 Li2 Li3 . . 29.3(3)
S2 Li1 Li2 Li3 . . -110.1(3)
S1 Li1 Li2 Li3 . . 112.1(5)
Li4 Li1 Li2 Li3 . . 179.9(3)
C4 C5 N1 C1 . . 0.1(7)
C16 C5 N1 C1 . . -81.2(4)
C4 C5 N1 O1 . . -179.8(4)
C16 C5 N1 O1 . . 98.9(4)
C4 C5 N1 N4 . . 77.6(5)
C16 C5 N1 N4 . . -3.73(13)
C2 C1 N1 C5 . . -0.6(6)
S1 C1 N1 C5 . . 177.1(3)
C20 C1 N1 C5 . . 95.1(4)
C2 C1 N1 O1 . . 179.3(4)
S1 C1 N1 O1 . . -3.0(6)
C20 C1 N1 O1 . . -85.0(4)
C2 C1 N1 N4 . . -99.1(4)
S1 C1 N1 N4 . . 78.6(3)
C20 C1 N1 N4 . . -3.40(13)
C7 C6 N2 C10 . . -1.4(7)
S2 C6 N2 C10 . . 176.4(3)
C15 C6 N2 C10 . . -95.5(4)
C7 C6 N2 O2 . . 178.8(4)
S2 C6 N2 O2 . . -3.4(6)
C15 C6 N2 O2 . . 84.6(4)
C7 C6 N2 N3 . . 97.1(4)
S2 C6 N2 N3 . . -85.1(3)
C15 C6 N2 N3 . . 2.92(12)
C9 C10 N2 C6 . . 1.4(7)
C11 C10 N2 C6 . . 85.5(4)
C9 C10 N2 O2 . . -178.7(4)
C11 C10 N2 O2 . . -94.7(4)
C9 C10 N2 N3 . . -81.2(5)
C11 C10 N2 N3 . . 2.85(12)
C14 C15 N3 C11 . . -0.4(7)
C6 C15 N3 C11 . . 79.5(4)
C14 C15 N3 O3 . . -178.8(4)
C6 C15 N3 O3 . . -99.0(4)
C14 C15 N3 N2 . . -76.8(5)
C6 C15 N3 N2 . . 3.00(13)
C12 C11 N3 C15 . . 2.3(7)
S3 C11 N3 C15 . . -175.5(3)
C10 C11 N3 C15 . . -93.6(4)
C12 C11 N3 O3 . . -179.3(4)
S3 C11 N3 O3 . . 2.9(6)
C10 C11 N3 O3 . . 84.8(4)
C12 C11 N3 N2 . . 98.9(4)
S3 C11 N3 N2 . . -79.0(3)
C10 C11 N3 N2 . . 2.98(13)
C6 N2 N3 C15 . . -8.2(3)
C10 N2 N3 C15 . . 109.5(4)
O2 N2 N3 C15 . . -129.9(4)
C6 N2 N3 C11 . . -125.2(4)
C10 N2 N3 C11 . . -7.5(3)
O2 N2 N3 C11 . . 113.1(4)
C6 N2 N3 O3 . . 113.1(4)
C10 N2 N3 O3 . . -129.2(4)
O2 N2 N3 O3 . . -8.6(2)
C17 C16 N4 C20 . . 1.3(6)
S4 C16 N4 C20 . . -178.0(3)
C5 C16 N4 C20 . . 94.1(4)
C17 C16 N4 O4 . . -178.4(4)
S4 C16 N4 O4 . . 2.3(6)
C5 C16 N4 O4 . . -85.6(4)
C17 C16 N4 N1 . . -96.4(4)
S4 C16 N4 N1 . . 84.3(3)
C5 C16 N4 N1 . . -3.61(13)
C19 C20 N4 C16 . . -0.3(7)
C1 C20 N4 C16 . . -85.0(4)
C19 C20 N4 O4 . . 179.4(4)
C1 C20 N4 O4 . . 94.7(4)
C19 C20 N4 N1 . . 81.4(5)
C1 C20 N4 N1 . . -3.25(12)
C5 N1 N4 C16 . . 10.1(4)
C1 N1 N4 C16 . . 126.2(4)
O1 N1 N4 C16 . . -112.2(4)
C5 N1 N4 C20 . . -107.7(4)
C1 N1 N4 C20 . . 8.5(3)
O1 N1 N4 C20 . . 130.1(4)
C5 N1 N4 O4 . . 130.9(4)
C1 N1 N4 O4 . . -112.9(4)
O1 N1 N4 O4 . . 8.7(2)
C5 N1 O1 Li3 . . -28.9(8)
C1 N1 O1 Li3 . . 151.2(5)
N4 N1 O1 Li3 . . 81.3(5)
C5 N1 O1 Li1 . . -133.7(4)
C1 N1 O1 Li1 . . 46.4(5)
N4 N1 O1 Li1 . . -23.5(3)
C5 N1 O1 Li4 . 1_545 88.3(5)
C1 N1 O1 Li4 . 1_545 -91.6(5)
N4 N1 O1 Li4 . 1_545 -161.4(3)
O2 Li1 O1 N1 . . 138.3(3)
O4 Li1 O1 N1 . . 43.1(5)
S2 Li1 O1 N1 . . -152.7(4)
S1 Li1 O1 N1 . . -46.0(3)
Li3 Li1 O1 N1 . . 137.1(4)
Li2 Li1 O1 N1 . . 93.0(3)
Li4 Li1 O1 N1 . . 47.0(6)
O2 Li1 O1 Li3 . . 1.1(4)
O4 Li1 O1 Li3 . . -94.0(5)
S2 Li1 O1 Li3 . . 70.2(5)
S1 Li1 O1 Li3 . . 176.9(3)
Li2 Li1 O1 Li3 . . -44.2(4)
Li4 Li1 O1 Li3 . . -90.1(6)
O2 Li1 O1 Li4 . 1_545 -82.8(4)
O4 Li1 O1 Li4 . 1_545 -178.0(3)
S2 Li1 O1 Li4 . 1_545 -13.8(7)
S1 Li1 O1 Li4 . 1_545 92.9(4)
Li3 Li1 O1 Li4 . 1_545 -84.0(4)
Li2 Li1 O1 Li4 . 1_545 -128.1(4)
Li4 Li1 O1 Li4 . 1_545 -174.1(6)
C6 N2 O2 Li3 . . 124.1(5)
C10 N2 O2 Li3 . . -55.7(6)
N3 N2 O2 Li3 . . -161.2(3)
C6 N2 O2 Li1 . . 13.8(6)
C10 N2 O2 Li1 . . -166.0(4)
N3 N2 O2 Li1 . . 88.5(4)
C6 N2 O2 Li2 . . -88.7(5)
C10 N2 O2 Li2 . . 91.4(5)
N3 N2 O2 Li2 . . -14.1(3)
O4 Li1 O2 N2 . . -118.1(4)
O1 Li1 O2 N2 . . 124.2(3)
S2 Li1 O2 N2 . . -12.5(4)
S1 Li1 O2 N2 . . 113.1(10)
Li3 Li1 O2 N2 . . 125.3(5)
Li2 Li1 O2 N2 . . -118.7(4)
Li4 Li1 O2 N2 . . -88.0(4)
O4 Li1 O2 Li3 . . 116.6(3)
O1 Li1 O2 Li3 . . -1.1(4)
S2 Li1 O2 Li3 . . -137.8(3)
S1 Li1 O2 Li3 . . -12.2(11)
Li2 Li1 O2 Li3 . . 116.0(4)
Li4 Li1 O2 Li3 . . 146.7(3)
O4 Li1 O2 Li2 . . 0.6(4)
O1 Li1 O2 Li2 . . -117.1(3)
S2 Li1 O2 Li2 . . 106.2(2)
S1 Li1 O2 Li2 . . -128.2(10)
Li3 Li1 O2 Li2 . . -116.0(4)
Li4 Li1 O2 Li2 . . 30.7(3)
O4 Li2 O2 N2 . . 125.1(3)
O3 Li2 O2 N2 . . 35.2(5)
S4 Li2 O2 N2 . . -158.0(3)
S3 Li2 O2 N2 . . -37.8(4)
Li4 Li2 O2 N2 . . 82.5(4)
Li1 Li2 O2 N2 . . 125.7(4)
Li3 Li2 O2 N2 . . -148.4(5)
O4 Li2 O2 Li3 . . -86.5(4)
O3 Li2 O2 Li3 . . -176.4(3)
S4 Li2 O2 Li3 . . -9.6(5)
S3 Li2 O2 Li3 . . 110.7(4)
Li4 Li2 O2 Li3 . . -129.1(4)
Li1 Li2 O2 Li3 . . -85.8(4)
O4 Li2 O2 Li1 . . -0.7(4)
O3 Li2 O2 Li1 . . -90.6(4)
S4 Li2 O2 Li1 . . 76.3(3)
S3 Li2 O2 Li1 . . -163.5(3)
Li4 Li2 O2 Li1 . . -43.3(4)
Li3 Li2 O2 Li1 . . 85.8(4)
C15 N3 O3 Li4 . . 27.9(8)
C11 N3 O3 Li4 . . -150.5(6)
N2 N3 O3 Li4 . . -80.8(6)
C15 N3 O3 Li2 . . 132.2(4)
C11 N3 O3 Li2 . . -46.2(5)
N2 N3 O3 Li2 . . 23.6(3)
C15 N3 O3 Li3 . 1_565 -88.3(5)
C11 N3 O3 Li3 . 1_565 93.3(5)
N2 N3 O3 Li3 . 1_565 163.0(3)
O4 Li2 O3 N3 . . -135.9(3)
O2 Li2 O3 N3 . . -42.6(5)
S4 Li2 O3 N3 . . 155.1(4)
S3 Li2 O3 N3 . . 45.7(3)
Li4 Li2 O3 N3 . . -135.1(4)
Li1 Li2 O3 N3 . . -92.4(3)
Li3 Li2 O3 N3 . . -46.2(6)
O4 Li2 O3 Li4 . . -0.7(4)
O2 Li2 O3 Li4 . . 92.6(5)
S4 Li2 O3 Li4 . . -69.8(6)
S3 Li2 O3 Li4 . . -179.2(3)
Li1 Li2 O3 Li4 . . 42.7(4)
Li3 Li2 O3 Li4 . . 89.0(6)
O4 Li2 O3 Li3 . 1_565 84.9(4)
O2 Li2 O3 Li3 . 1_565 178.2(3)
S4 Li2 O3 Li3 . 1_565 15.9(7)
S3 Li2 O3 Li3 . 1_565 -93.5(4)
Li4 Li2 O3 Li3 . 1_565 85.7(5)
Li1 Li2 O3 Li3 . 1_565 128.4(4)
Li3 Li2 O3 Li3 . 1_565 174.6(5)
C16 N4 O4 Li4 . . -122.7(5)
C20 N4 O4 Li4 . . 57.7(6)
N1 N4 O4 Li4 . . 163.1(3)
C16 N4 O4 Li2 . . -15.0(6)
C20 N4 O4 Li2 . . 165.3(4)
N1 N4 O4 Li2 . . -89.3(4)
C16 N4 O4 Li1 . . 88.9(5)
C20 N4 O4 Li1 . . -90.7(5)
N1 N4 O4 Li1 . . 14.7(3)
O2 Li2 O4 N4 . . 120.2(4)
O3 Li2 O4 N4 . . -121.8(3)
S4 Li2 O4 N4 . . 14.5(4)
S3 Li2 O4 N4 . . -117.5(10)
Li4 Li2 O4 N4 . . -122.5(5)
Li1 Li2 O4 N4 . . 119.6(4)
Li3 Li2 O4 N4 . . 89.3(4)
O2 Li2 O4 Li4 . . -117.3(4)
O3 Li2 O4 Li4 . . 0.7(4)
S4 Li2 O4 Li4 . . 137.0(3)
S3 Li2 O4 Li4 . . 5.0(12)
Li1 Li2 O4 Li4 . . -117.9(4)
Li3 Li2 O4 Li4 . . -148.2(4)
O2 Li2 O4 Li1 . . 0.6(4)
O3 Li2 O4 Li1 . . 118.6(3)
S4 Li2 O4 Li1 . . -105.1(2)
S3 Li2 O4 Li1 . . 122.9(11)
Li4 Li2 O4 Li1 . . 117.9(4)
Li3 Li2 O4 Li1 . . -30.3(3)
O2 Li1 O4 N4 . . -126.6(3)
O1 Li1 O4 N4 . . -35.7(5)
S2 Li1 O4 N4 . . 156.0(3)
S1 Li1 O4 N4 . . 36.9(4)
Li3 Li1 O4 N4 . . -83.3(4)
Li2 Li1 O4 N4 . . -126.0(4)
Li4 Li1 O4 N4 . . 148.4(5)
O2 Li1 O4 Li4 . . 84.9(4)
O1 Li1 O4 Li4 . . 175.9(3)
S2 Li1 O4 Li4 . . 7.6(6)
S1 Li1 O4 Li4 . . -111.6(4)
Li3 Li1 O4 Li4 . . 128.3(4)
Li2 Li1 O4 Li4 . . 85.6(5)
O2 Li1 O4 Li2 . . -0.7(4)
O1 Li1 O4 Li2 . . 90.3(4)
S2 Li1 O4 Li2 . . -78.0(3)
S1 Li1 O4 Li2 . . 162.8(2)
Li3 Li1 O4 Li2 . . 42.7(4)
Li4 Li1 O4 Li2 . . -85.6(5)
C22 C21 O5 Li4 . . 103.7(9)
C24 C23 O6 Li3 . . -104.1(9)
C23 O6 Li3 O1 . . -69.8(12)
C23 O6 Li3 O2 . . 69.2(11)
C23 O6 Li3 O3 . 1_545 -167.4(8)
C23 O6 Li3 Li1 . . 15.3(16)
C23 O6 Li3 Li4 . 1_545 -133.0(9)
C23 O6 Li3 Li2 . . 38.2(10)
N1 O1 Li3 O6 . . 29.8(11)
Li1 O1 Li3 O6 . . 144.3(7)
Li4 O1 Li3 O6 1_545 . -98.7(7)
N1 O1 Li3 O2 . . -115.7(5)
Li1 O1 Li3 O2 . . -1.2(4)
Li4 O1 Li3 O2 1_545 . 115.8(4)
N1 O1 Li3 O3 . 1_545 127.9(5)
Li1 O1 Li3 O3 . 1_545 -117.6(3)
Li4 O1 Li3 O3 1_545 1_545 -0.6(4)
N1 O1 Li3 Li1 . . -114.5(6)
Li4 O1 Li3 Li1 1_545 . 116.9(3)
N1 O1 Li3 Li4 . 1_545 128.6(6)
Li1 O1 Li3 Li4 . 1_545 -116.9(3)
N1 O1 Li3 Li2 . . -82.4(5)
Li1 O1 Li3 Li2 . . 32.1(3)
Li4 O1 Li3 Li2 1_545 . 149.0(3)
N2 O2 Li3 O6 . . 81.6(7)
Li1 O2 Li3 O6 . . -149.3(5)
Li2 O2 Li3 O6 . . -65.8(7)
N2 O2 Li3 O1 . . -127.8(4)
Li1 O2 Li3 O1 . . 1.3(5)
Li2 O2 Li3 O1 . . 84.8(5)
N2 O2 Li3 O3 . 1_545 -30.8(6)
Li1 O2 Li3 O3 . 1_545 98.2(4)
Li2 O2 Li3 O3 . 1_545 -178.2(3)
N2 O2 Li3 Li1 . . -129.0(4)
Li2 O2 Li3 Li1 . . 83.6(4)
N2 O2 Li3 Li4 . 1_545 -77.3(4)
Li1 O2 Li3 Li4 . 1_545 51.7(4)
Li2 O2 Li3 Li4 . 1_545 135.3(4)
N2 O2 Li3 Li2 . . 147.4(5)
Li1 O2 Li3 Li2 . . -83.6(4)
O2 Li1 Li3 O6 . . 72.9(9)
O4 Li1 Li3 O6 . . -1.5(10)
O1 Li1 Li3 O6 . . -108.7(10)
S2 Li1 Li3 O6 . . 117.0(9)
S1 Li1 Li3 O6 . . -111.9(9)
Li2 Li1 Li3 O6 . . 28.8(9)
Li4 Li1 Li3 O6 . . 28.7(11)
O2 Li1 Li3 O1 . . -178.4(6)
O4 Li1 Li3 O1 . . 107.2(4)
S2 Li1 Li3 O1 . . -134.3(4)
S1 Li1 Li3 O1 . . -3.2(3)
Li2 Li1 Li3 O1 . . 137.4(4)
Li4 Li1 Li3 O1 . . 137.3(4)
O4 Li1 Li3 O2 . . -74.4(4)
O1 Li1 Li3 O2 . . 178.4(6)
S2 Li1 Li3 O2 . . 44.1(3)
S1 Li1 Li3 O2 . . 175.2(5)
Li2 Li1 Li3 O2 . . -44.2(3)
Li4 Li1 Li3 O2 . . -44.3(4)
O2 Li1 Li3 O3 . 1_545 -104.1(5)
O4 Li1 Li3 O3 . 1_545 -178.6(4)
O1 Li1 Li3 O3 . 1_545 74.2(4)
S2 Li1 Li3 O3 . 1_545 -60.1(4)
S1 Li1 Li3 O3 . 1_545 71.0(4)
Li2 Li1 Li3 O3 . 1_545 -148.3(4)
Li4 Li1 Li3 O3 . 1_545 -148.4(3)
O2 Li1 Li3 Li4 . 1_545 -134.1(4)
O4 Li1 Li3 Li4 . 1_545 151.5(3)
O1 Li1 Li3 Li4 . 1_545 44.3(3)
S2 Li1 Li3 Li4 . 1_545 -90.0(3)
S1 Li1 Li3 Li4 . 1_545 41.1(3)
Li2 Li1 Li3 Li4 . 1_545 -178.3(3)
Li4 Li1 Li3 Li4 . 1_545 -178.4(4)
O2 Li1 Li3 Li2 . . 44.2(3)
O4 Li1 Li3 Li2 . . -30.2(3)
O1 Li1 Li3 Li2 . . -137.4(4)
S2 Li1 Li3 Li2 . . 88.3(3)
S1 Li1 Li3 Li2 . . -140.6(3)
Li4 Li1 Li3 Li2 . . -0.1(3)
O4 Li2 Li3 O6 . . -138.5(5)
O2 Li2 Li3 O6 . . 126.5(6)
O3 Li2 Li3 O6 . . 132.7(7)
S4 Li2 Li3 O6 . . -62.9(3)
S3 Li2 Li3 O6 . . 50.9(4)
Li4 Li2 Li3 O6 . . -166.8(4)
Li1 Li2 Li3 O6 . . -166.9(4)
O4 Li2 Li3 O1 . . -3.5(3)
O2 Li2 Li3 O1 . . -98.5(5)
O3 Li2 Li3 O1 . . -92.3(6)
S4 Li2 Li3 O1 . . 72.1(3)
S3 Li2 Li3 O1 . . -174.1(4)
Li4 Li2 Li3 O1 . . -31.8(5)
Li1 Li2 Li3 O1 . . -31.9(3)
O4 Li2 Li3 O2 . . 95.0(4)
O3 Li2 Li3 O2 . . 6.2(5)
S4 Li2 Li3 O2 . . 170.5(5)
S3 Li2 Li3 O2 . . -75.7(4)
Li4 Li2 Li3 O2 . . 66.6(5)
Li1 Li2 Li3 O2 . . 66.5(4)
O4 Li2 Li3 O3 . 1_545 98.0(6)
O2 Li2 Li3 O3 . 1_545 3.1(5)
O3 Li2 Li3 O3 . 1_545 9.2(9)
S4 Li2 Li3 O3 . 1_545 173.6(7)
S3 Li2 Li3 O3 . 1_545 -72.6(7)
Li4 Li2 Li3 O3 . 1_545 69.7(8)
Li1 Li2 Li3 O3 . 1_545 69.6(6)
O4 Li2 Li3 Li1 . . 28.4(3)
O2 Li2 Li3 Li1 . . -66.5(4)
O3 Li2 Li3 Li1 . . -60.4(6)
S4 Li2 Li3 Li1 . . 104.0(3)
S3 Li2 Li3 Li1 . . -142.2(3)
Li4 Li2 Li3 Li1 . . 0.1(4)
O4 Li2 Li3 Li4 . 1_545 30.8(5)
O2 Li2 Li3 Li4 . 1_545 -64.2(5)
O3 Li2 Li3 Li4 . 1_545 -58.0(7)
S4 Li2 Li3 Li4 . 1_545 106.4(4)
S3 Li2 Li3 Li4 . 1_545 -139.8(4)
Li4 Li2 Li3 Li4 . 1_545 2.5(5)
Li1 Li2 Li3 Li4 . 1_545 2.4(4)
C21 O5 Li4 O3 . . 68.5(13)
C21 O5 Li4 O4 . . -70.7(11)
C21 O5 Li4 O1 . 1_565 164.4(7)
C21 O5 Li4 Li2 . . -10.9(17)
C21 O5 Li4 Li3 . 1_565 128.1(8)
C21 O5 Li4 Li1 . . -40.9(9)
N3 O3 Li4 O5 . . -31.6(11)
Li2 O3 Li4 O5 . . -146.0(8)
Li3 O3 Li4 O5 1_565 . 95.6(8)
N3 O3 Li4 O4 . . 115.1(5)
Li2 O3 Li4 O4 . . 0.8(5)
Li3 O3 Li4 O4 1_565 . -117.6(4)
N3 O3 Li4 O1 . 1_565 -127.9(4)
Li2 O3 Li4 O1 . 1_565 117.8(3)
Li3 O3 Li4 O1 1_565 1_565 -0.6(4)
N3 O3 Li4 Li2 . . 114.3(6)
Li3 O3 Li4 Li2 1_565 . -118.4(3)
N3 O3 Li4 Li3 . 1_565 -127.3(6)
Li2 O3 Li4 Li3 . 1_565 118.4(3)
N3 O3 Li4 Li1 . . 83.0(5)
Li2 O3 Li4 Li1 . . -31.3(3)
Li3 O3 Li4 Li1 1_565 . -149.7(3)
N4 O4 Li4 O5 . . -84.0(8)
Li2 O4 Li4 O5 . . 148.5(6)
Li1 O4 Li4 O5 . . 64.1(8)
N4 O4 Li4 O3 . . 126.7(4)
Li2 O4 Li4 O3 . . -0.8(5)
Li1 O4 Li4 O3 . . -85.2(5)
N4 O4 Li4 O1 . 1_565 30.0(6)
Li2 O4 Li4 O1 . 1_565 -97.5(5)
Li1 O4 Li4 O1 . 1_565 178.1(3)
N4 O4 Li4 Li2 . . 127.5(4)
Li1 O4 Li4 Li2 . . -84.4(4)
N4 O4 Li4 Li3 . 1_565 77.5(5)
Li2 O4 Li4 Li3 . 1_565 -50.0(4)
Li1 O4 Li4 Li3 . 1_565 -134.4(4)
N4 O4 Li4 Li1 . . -148.1(5)
Li2 O4 Li4 Li1 . . 84.4(4)
O4 Li2 Li4 O5 . . -79.7(11)
O2 Li2 Li4 O5 . . -7.0(11)
O3 Li2 Li4 O5 . . 101.3(12)
S4 Li2 Li4 O5 . . -124.5(11)
S3 Li2 Li4 O5 . . 102.2(11)
Li1 Li2 Li4 O5 . . -37.5(11)
Li3 Li2 Li4 O5 . . -37.6(12)
O4 Li2 Li4 O3 . . 179.0(6)
O2 Li2 Li4 O3 . . -108.4(5)
S4 Li2 Li4 O3 . . 134.2(4)
S3 Li2 Li4 O3 . . 0.8(3)
Li1 Li2 Li4 O3 . . -138.9(4)
Li3 Li2 Li4 O3 . . -139.0(4)
O2 Li2 Li4 O4 . . 72.7(4)
O3 Li2 Li4 O4 . . -179.0(6)
S4 Li2 Li4 O4 . . -44.8(3)
S3 Li2 Li4 O4 . . -178.1(5)
Li1 Li2 Li4 O4 . . 42.2(3)
Li3 Li2 Li4 O4 . . 42.1(5)
O4 Li2 Li4 O1 . 1_565 105.4(5)
O2 Li2 Li4 O1 . 1_565 178.1(4)
O3 Li2 Li4 O1 . 1_565 -73.6(4)
S4 Li2 Li4 O1 . 1_565 60.6(4)
S3 Li2 Li4 O1 . 1_565 -72.7(4)
Li1 Li2 Li4 O1 . 1_565 147.6(4)
Li3 Li2 Li4 O1 . 1_565 147.5(3)
O4 Li2 Li4 Li3 . 1_565 136.1(4)
O2 Li2 Li4 Li3 . 1_565 -151.2(3)
O3 Li2 Li4 Li3 . 1_565 -42.8(3)
S4 Li2 Li4 Li3 . 1_565 91.3(3)
S3 Li2 Li4 Li3 . 1_565 -42.0(3)
Li1 Li2 Li4 Li3 . 1_565 178.3(3)
Li3 Li2 Li4 Li3 . 1_565 178.2(4)
O4 Li2 Li4 Li1 . . -42.2(3)
O2 Li2 Li4 Li1 . . 30.5(3)
O3 Li2 Li4 Li1 . . 138.9(4)
S4 Li2 Li4 Li1 . . -87.0(3)
S3 Li2 Li4 Li1 . . 139.7(3)
Li3 Li2 Li4 Li1 . . -0.1(3)
O2 Li1 Li4 O5 . . 134.1(5)
O4 Li1 Li4 O5 . . -128.8(7)
O1 Li1 Li4 O5 . . -135.7(7)
S2 Li1 Li4 O5 . . 58.7(4)
S1 Li1 Li4 O5 . . -53.7(4)
Li3 Li1 Li4 O5 . . 163.8(4)
Li2 Li1 Li4 O5 . . 163.7(5)
O2 Li1 Li4 O3 . . 1.1(3)
O4 Li1 Li4 O3 . . 98.2(5)
O1 Li1 Li4 O3 . . 91.4(6)
S2 Li1 Li4 O3 . . -74.3(4)
S1 Li1 Li4 O3 . . 173.3(4)
Li3 Li1 Li4 O3 . . 30.9(5)
Li2 Li1 Li4 O3 . . 30.8(3)
O2 Li1 Li4 O4 . . -97.1(5)
O1 Li1 Li4 O4 . . -6.8(5)
S2 Li1 Li4 O4 . . -172.5(6)
S1 Li1 Li4 O4 . . 75.1(4)
Li3 Li1 Li4 O4 . . -67.3(5)
Li2 Li1 Li4 O4 . . -67.4(4)
O2 Li1 Li4 O1 . 1_565 -100.3(7)
O4 Li1 Li4 O1 . 1_565 -3.3(5)
O1 Li1 Li4 O1 . 1_565 -10.1(9)
S2 Li1 Li4 O1 . 1_565 -175.8(7)
S1 Li1 Li4 O1 . 1_565 71.9(7)
Li3 Li1 Li4 O1 . 1_565 -70.6(8)
Li2 Li1 Li4 O1 . 1_565 -70.7(7)
O2 Li1 Li4 Li2 . . -29.6(3)
O4 Li1 Li4 Li2 . . 67.4(4)
O1 Li1 Li4 Li2 . . 60.6(6)
S2 Li1 Li4 Li2 . . -105.1(3)
S1 Li1 Li4 Li2 . . 142.6(3)
Li3 Li1 Li4 Li2 . . 0.1(4)
O2 Li1 Li4 Li3 . 1_565 -32.0(5)
O4 Li1 Li4 Li3 . 1_565 65.1(5)
O1 Li1 Li4 Li3 . 1_565 58.2(8)
S2 Li1 Li4 Li3 . 1_565 -107.5(4)
S1 Li1 Li4 Li3 . 1_565 140.2(4)
Li3 Li1 Li4 Li3 . 1_565 -2.3(6)
Li2 Li1 Li4 Li3 . 1_565 -2.4(4)
N1 C1 S1 Li1 . . -30.4(4)
C2 C1 S1 Li1 . . 147.1(4)
C20 C1 S1 Li1 . . 73.35(19)
O2 Li1 S1 C1 . . 49.8(10)
O4 Li1 S1 C1 . . -78.6(3)
O1 Li1 S1 C1 . . 38.0(2)
S2 Li1 S1 C1 . . 169.1(3)
Li3 Li1 S1 C1 . . 40.4(3)
Li2 Li1 S1 C1 . . -58.7(5)
Li4 Li1 S1 C1 . . -108.0(3)
N2 C6 S2 Li1 . . -5.1(4)
C7 C6 S2 Li1 . . 172.4(5)
C15 C6 S2 Li1 . . -105.5(2)
O2 Li1 S2 C6 . . 8.3(3)
O4 Li1 S2 C6 . . 99.9(3)
O1 Li1 S2 C6 . . -65.5(5)
S1 Li1 S2 C6 . . -152.8(3)
Li3 Li1 S2 C6 . . -22.2(3)
Li2 Li1 S2 C6 . . 54.8(3)
Li4 Li1 S2 C6 . . 103.8(2)
N3 C11 S3 Li2 . . 29.8(4)
C12 C11 S3 Li2 . . -147.8(4)
C10 C11 S3 Li2 . . -74.09(19)
O4 Li2 S3 C11 . . -42.1(11)
O2 Li2 S3 C11 . . 79.6(3)
O3 Li2 S3 C11 . . -37.7(2)
S4 Li2 S3 C11 . . -168.3(3)
Li4 Li2 S3 C11 . . -38.3(3)
Li1 Li2 S3 C11 . . 60.9(5)
Li3 Li2 S3 C11 . . 109.8(2)
N4 C16 S4 Li2 . . 7.4(4)
C17 C16 S4 Li2 . . -171.9(5)
C5 C16 S4 Li2 . . 108.0(2)
O4 Li2 S4 C16 . . -10.4(3)
O2 Li2 S4 C16 . . -100.4(3)
O3 Li2 S4 C16 . . 63.4(5)
S3 Li2 S4 C16 . . 152.9(3)
Li4 Li2 S4 C16 . . 20.5(3)
Li1 Li2 S4 C16 . . -55.9(2)
Li3 Li2 S4 C16 . . -105.4(2)
