LMucko/crystallography-open-database huggingface dataset:
Structural investigations of nickel(II) complexes. IX. Structure of tetrakis(imidazole)bis(isothiocyanato)nickel(II)
Koman, M.; Jóna, E.; Mašlejová, A.; Acta Crystallographica Section C 47 (1991) 1206–1208; doi:10.1107/S0108270190013920

data_2000302
_publ_section_title
;
 Structural investigations of nickel(II) complexes. IX. Structure of
 tetrakis(imidazole)bis(isothiocyanato)nickel(II)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1206
_journal_page_last               1208
_journal_paper_doi               10.1107/S0108270190013920
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C14 H16 N10 Ni S2'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_method           'IUCr CIFGEN early version'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.415(6)
_cell_length_b                   16.422(5)
_cell_length_c                   15.535(4)
_cell_volume                     3933(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_F_000             1840
_cod_data_source_file            mu0213.cif
_cod_data_source_block           mu0213a
_cod_original_cell_volume        3937.2
_cod_original_sg_symbol_H-M      Pbca
_cod_original_formula_sum        'C14 H16 N10 S2 Ni'
_cod_database_code               2000302
4,5-Dimethoxy-2-[3-(1,4-oxazinan-4-yl)-3-oxopropyl]-<i>N</i>-(2-pyridyl)benzenesulfonamide methanol solvate
Eliopoulos, E.; Sheldrick, B.; Hamodrakas, S.; Acta Crystallographica Section C 47 (1991) 1212–1215; doi:10.1107/S0108270190010174

data_2000303
_publ_section_title
;4,5-Dimethoxy-2-[3-(1,4-oxazinan-4-yl)-3-oxopropyl]-<i>N</i>-(2-pyridyl)benzenesulfonamide
 methanol solvate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1212
_journal_page_last               1215
_journal_paper_doi               10.1107/S0108270190010174
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C21 H29 N3 O7 S'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                76.302(8)
_cell_angle_beta                 78.320(4)
_cell_angle_gamma                78.227(8)
_cell_formula_units_Z            2
_cell_length_a                   8.429(6)
_cell_length_b                   11.271(3)
_cell_length_c                   12.606(3)
_cell_volume                     1124.0(9)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    1.54
_exptl_crystal_density_diffrn    1.34
_exptl_crystal_F_000             496
_cod_data_source_file            mu0168.cif
_cod_data_source_block           mu0168a
_cod_depositor_comments
;
 Correcting the space group by changing it from 'P 1' to 'P -1' after
 consulting the original publication.

 Antanas Vaitkus,
 2018-02-09
;
_cod_original_sg_symbol_H-M      P1
_cod_original_formula_sum        'C21 H29 N3 O7 S1'
_cod_database_code               2000303
Paucin methanolate
Sun, K.-L.; Chan, J. A.; Baures, P. W.; Eggleston, D. S.; Acta Crystallographica Section C 47 (1991) 1253–1256; doi:10.1107/S0108270190014068

data_2000304
_publ_section_title
;
 Paucin methanolate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1253
_journal_page_last               1256
_journal_paper_doi               10.1107/S0108270190014068
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C24 H36 O11'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.91(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.819(5)
_cell_length_b                   6.591(6)
_cell_length_c                   18.044(8)
_cell_volume                     1285.0(14)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5406
_exptl_absorpt_coefficient_mu    0.8198
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_F_000             536
_cod_data_source_file            st0487.cif
_cod_data_source_block           st0487a
_cod_original_cell_volume        1284.9(11)
_cod_original_sg_symbol_H-M      P21
_cod_original_formula_sum        C24H36O11
_cod_database_code               2000304
Structure of a chiral amide derived from a (vinylketenimine)tricarbonyliron(0) complex
Alcock, N. W.; Richards, C. J.; Thomas, S. E.; Acta Crystallographica Section C 47 (1991) 1261–1263; doi:10.1107/S0108270190011143

data_2000305
_publ_section_title
;
 Structure of a chiral amide derived from a
 (vinylketenimine)tricarbonyliron(0) complex
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1261
_journal_page_last               1263
_journal_paper_doi               10.1107/S0108270190011143
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C21 H25 N O'
_chemical_name_systematic
;
 (2R)-2-Ethyl-2-methyl-4-phenyl-N-[(S)-1-phenylethyl]-(E)-3-butenamide
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_audit_creation_method           'IUCr CIFGEN early version'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.071(7)
_cell_length_b                   19.218(15)
_cell_length_c                   19.406(14)
_cell_volume                     3756(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_crystal_density_diffrn    1.09
_cod_data_source_file            li0051.cif
_cod_data_source_block           li0051a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18

 Correcting the summary chemical formula by changing it from 'C42 H50 N2 O2' to
 'C21 H25 N O' and adding the systematic chemical name after consulting the
 original publication.

 Antanas Vaitkus,
 2018-06-17
;
_cod_original_cell_volume        3756
_cod_original_sg_symbol_H-M      P212121
_cod_database_code               2000305
Structure of <i>catena</i>-poly{bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-κ^2^<i>O</i>,<i>O</i>']copper-μ-(4,4'-bipyridine)-κ<i>N</i>:κ<i>N</i>'}–<i>N</i>,<i>N</i>-dimethylformamide (1/2)
Gou, S.-H.; You, X.-Z.; Xu, Z.; Zhou, Z.-Y.; Yu, K.-B.; Yu, Y.-P.; Zhu, D.-L.; Acta Crystallographica Section C 47 (1991) 1303–1305; doi:10.1107/S0108270190011672

data_2000306
_publ_section_title
;Structure of
 <i>catena</i>-poly{bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-\k^2^<i>O</i>,<i>O</i>']copper-\m-(4,4'-bipyridine)-\k<i>N</i>:\k<i>N</i>'}--<i>N</i>,<i>N</i>-dimethylformamide
 (1/2)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1303
_journal_page_last               1305
_journal_paper_doi               10.1107/S0108270190011672
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C32 H30 Cu F6 N4 O6 S2'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.400(10)
_cell_angle_beta                 65.410(10)
_cell_angle_gamma                69.290(10)
_cell_formula_units_Z            1
_cell_length_a                   9.637(2)
_cell_length_b                   9.820(2)
_cell_length_c                   11.505(2)
_cell_volume                     913.7(3)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    .782
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_F_000             413
_cod_data_source_file            li0049.cif
_cod_data_source_block           li0049a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-06-16
;
_cod_original_cell_volume        913.76(3)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'Cu1 C32 H30 F6 O6 S2 N4'
_cod_database_code               2000306
Structure of a second polymorph of [Al(CH~3~)]~2~[14]aneN~4~[Al(CH~3~)~3~]~2~
Self, M. F.; Pennington, W. T.; Robinson, G. H.; Acta Crystallographica Section C 47 (1991) 1309–1310; doi:10.1107/S0108270190013130

data_2000307
_publ_section_title
;
 Structure of a second polymorph of
 [Al(CH~3~)]~2~[14]aneN~4~[Al(CH~3~)~3~]~2~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1309
_journal_page_last               1310
_journal_paper_doi               10.1107/S0108270190013130
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C18 H44 Al4 N4'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                75.46(2)
_cell_angle_beta                 67.86(2)
_cell_angle_gamma                73.84(2)
_cell_formula_units_Z            1
_cell_length_a                   7.978(2)
_cell_length_b                   9.428(2)
_cell_length_c                   9.627(2)
_cell_volume                     635.5(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.188
_exptl_crystal_density_diffrn    1.11
_exptl_crystal_F_000             232
_cod_data_source_file            st0480.cif
_cod_data_source_block           st0480a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Marking three disorder assemblies after consulting the original publication.
 Atoms 'H(10)', 'H(11)', 'H(12)' and 'H(11A)', 'H(12A)', 'H(13A)' were marked
 as belonging to disorder groups '1' and '2' of the disorder assembly 'A' with
 the occupancies of 0.5 respectively; atoms 'H(14)', 'H(15)', 'H(16)' and
 'H(14A)', 'H(15A)', 'H(16A)' were marked as belonging to disorder groups '1'
 and '2' of the disorder assembly 'B' with the occupancies of 0.5 respectively;
 atoms 'H(17)', 'H(18)', 'H(19)' and 'H(17A)', 'H(18A)', 'H(19A)' were marked
 as belonging to disorder groups '1' and '2' of the disorder assembly 'C' with
 the occupancies of 0.5 respectively.

 Antanas Vaitkus,
 2017-03-23
;
_cod_original_cell_volume        635.4(2)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'Al4 C18 H44 N4'
_cod_database_code               2000307
Structure of 1,2,2,2,3,3,3,4,4,4-decacarbonyl-1,2:3,4-di-μ-hydrido-1-tricyclohexylphosphine-3-triisopropylphosphineplatinumtriosmium(2 <i>Pt</i>‒<i>Os</i>)(3 <i>Os</i>‒<i>Os</i>)
Farrugia, L. J.; Acta Crystallographica Section C 47 (1991) 1310–1312; doi:10.1107/S0108270190013944

data_2000308
_publ_section_title
;Structure of
 1,2,2,2,3,3,3,4,4,4-decacarbonyl-1,2:3,4-di-\m-hydrido-1-tricyclohexylphosphine-3-triisopropylphosphineplatinumtriosmium(2
 <i>Pt</i>--<i>Os</i>)(3 <i>Os</i>--<i>Os</i>)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1310
_journal_page_last               1312
_journal_paper_doi               10.1107/S0108270190013944
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         Os3Pt(H)2(CO)10,P(C6H11)3,P(C3H7)3
_chemical_formula_sum            'C37 H56 O10 Os3 P2 Pt'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_audit_creation_method           'IUCr CIFGEN early version'
_cell_angle_alpha                90
_cell_angle_beta                 100.92(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.678(2)
_cell_length_b                   15.924(4)
_cell_length_c                   27.237(5)
_cell_volume                     4547.4(17)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_crystal_density_diffrn    2.17
_exptl_crystal_F_000             2776
_cod_data_source_file            mu0219.cif
_cod_data_source_block           mu0219a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        4547(2)
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        'C37 H56 O10 P2 Os3 Pt1'
_cod_database_code               2000308
Structure of 1,4,7-tris[(2<i>S</i>)-2-hydroxypropyl]-1,4,7-triazacyclononanenickel(II) dibromide monohydrate
Farrugia, L. J.; Peacock, R. D.; Acta Crystallographica Section C 47 (1991) 1312–1313; doi:10.1107/S0108270190014007

data_2000309
_publ_section_title
;
 Structure of
 1,4,7-tris[(2<i>S</i>)-2-hydroxypropyl]-1,4,7-triazacyclononanenickel(II)
 dibromide monohydrate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1312
_journal_page_last               1313
_journal_paper_doi               10.1107/S0108270190014007
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C15 H35 Br2 N3 Ni O4'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7046(9)
_cell_length_b                   13.742(3)
_cell_length_c                   16.2850(10)
_cell_volume                     2171.8(5)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.565
_exptl_crystal_density_diffrn    1.65
_exptl_crystal_F_000             1104
_cod_data_source_file            mu0222.cif
_cod_data_source_block           mu0222a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_sg_symbol_H-M      P212121
_cod_original_formula_sum        'C15 H35 Br2 N3 Ni1 O4'
_cod_database_code               2000309
Structure of ethyl 3'-ethyl-6-methoxy-5'-oxo-1,2-cyclopent-1',3'-dienonaphthalene-4'-acetate
Mullica, D. F.; Belew, J. S.; Sappenfield, E. L.; Leschnitzer, D. H.; Acta Crystallographica Section C 47 (1991) 1330–1332; doi:10.1107/S0108270190013063

data_2000310
_publ_section_title
;
 Structure of ethyl
 3'-ethyl-6-methoxy-5'-oxo-1,2-cyclopent-1',3'-dienonaphthalene-4'-acetate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1330
_journal_page_last               1332
_journal_paper_doi               10.1107/S0108270190013063
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C20 H20 O4'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.470(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5140(10)
_cell_length_b                   15.0670(10)
_cell_length_c                   9.5880(10)
_cell_volume                     1724.4(3)
_diffrn_radiation_type           cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    .665
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_F_000             688
_cod_data_source_file            st0481.cif
_cod_data_source_block           st0481a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        C20H20O4
_cod_database_code               2000310
Structure of (±)-3-benzyloxy-2,3,3a,7a-tetrahydrobenzo[<i>b</i>]thiophen-5(4<i>H</i>)-one 1,1-dioxide
Lynch, V. M.; Daniel, D.; Martin, S. F.; Davis, B. E.; Acta Crystallographica Section C 47 (1991) 1340–1342; doi:10.1107/S0108270190013142

data_2000311
_publ_section_title
;Structure of
 (+-)-3-benzyloxy-2,3,3a,7a-tetrahydrobenzo[<i>b</i>]thiophen-5(4<i>H</i>)-one
 1,1-dioxide
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1340
_journal_page_last               1342
_journal_paper_doi               10.1107/S0108270190013142
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C15 H16 O4 S'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.9496(10)
_cell_length_b                   11.483(3)
_cell_length_c                   40.262(7)
_cell_volume                     2750.7(10)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    .234
_exptl_crystal_density_diffrn    1.41
_exptl_crystal_F_000             1232
_cod_data_source_file            st0484.cif
_cod_data_source_block           st0484a
_cod_original_sg_symbol_H-M      Pbca
_cod_original_formula_sum        'C15 H16 S1 O4'
_cod_database_code               2000311
Structure of a novel bisindole derivative
Lynch, V. M.; Stamford, A.; Magnus, P.; Davis, B. E.; Acta Crystallographica Section C 47 (1991) 1342–1345; doi:10.1107/S0108270190013191

data_2000312
_publ_section_title
;
 Structure of a novel bisindole derivative
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1342
_journal_page_last               1345
_journal_paper_doi               10.1107/S0108270190013191
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C47 H66 N4 O12'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.211(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.2878(8)
_cell_length_b                   31.018(4)
_cell_length_c                   9.2267(7)
_cell_volume                     2288.8(4)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    .0858
_exptl_crystal_density_diffrn    1.28
_exptl_crystal_F_000             944
_cod_data_source_file            st0489.cif
_cod_data_source_block           st0489a
_cod_original_sg_symbol_H-M      P21
_cod_original_formula_sum        C47H66N4O12
_cod_database_code               2000312
Determination of the absolute configuration of a novel dipeptide isostere
Lynch, V. M.; Austin, R. E.; Martin, S. F.; George, T.; Acta Crystallographica Section C 47 (1991) 1345–1347; doi:10.1107/S0108270190013208

data_2000313
_publ_section_title
;
 Determination of the absolute configuration of a novel dipeptide
 isostere
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1345
_journal_page_last               1347
_journal_paper_doi               10.1107/S0108270190013208
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C25 H35 N O4'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.359(2)
_cell_length_b                   10.1170(10)
_cell_length_c                   24.710(4)
_cell_volume                     2339.7(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.0733
_exptl_crystal_density_diffrn    1.17
_exptl_crystal_F_000             896
_cod_data_source_file            st0490.cif
_cod_data_source_block           st0490a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        2339.8(6)
_cod_original_sg_symbol_H-M      P212121
_cod_original_formula_sum        'C25 H35 N1 O4'
_cod_database_code               2000313
Structure of 1-(2-methyl-2,3-dihydrobenzothiazol-2-yl)-2-propanone
Yeap, G.-Y.; Fun, H.-K.; Teo, S.-B.; Teoh, S.-G.; Acta Crystallographica Section C 47 (1991) 1347–1348; doi:10.1107/S0108270190013695

data_2000314
_publ_section_title
;
 Structure of 1-(2-methyl-2,3-dihydrobenzothiazol-2-yl)-2-propanone
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1347
_journal_page_last               1348
_journal_paper_doi               10.1107/S0108270190013695
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C11 H13 N O S'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.770(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.433(2)
_cell_length_b                   12.9320(10)
_cell_length_c                   10.503(3)
_cell_volume                     1063.7(4)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     .71069
_exptl_absorpt_coefficient_mu    .26
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_density_meas      1.307
_exptl_crystal_F_000             440
_cod_data_source_file            li0060.cif
_cod_data_source_block           li0060a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        1063.7(7)
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        'C11 H13 O1 N1 S1'
_cod_database_code               2000314