LMucko/crystallography-open-database huggingface dataset:
Redetermination of the structure of (acetonitrile)chlorocopper(I) [(H~3~CCN)CuCl] at 178 K
Jones, P. G.; Acta Crystallographica Section C 48 (1992) 1307–1308; doi:10.1107/S0108270191013926

data_2000781
_publ_section_title
;
 Redetermination of the structure of (acetonitrile)chlorocopper(I)
 [(H~3~CCN)CuCl] at 178 K
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1307
_journal_page_last               1308
_journal_paper_doi               10.1107/S0108270191013926
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C2 H3 Cl Cu N'
_chemical_formula_weight         140.0
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.545(3)
_cell_length_b                   3.8691(10)
_cell_length_c                   12.692(4)
_cell_volume                     419.6(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    5.6
_exptl_crystal_density_diffrn    2.217
_exptl_crystal_F_000             272
_cod_data_source_file            ha0086.cif
_cod_data_source_block           ha0086a
_cod_original_cell_volume        419.6(3)
_cod_original_formula_sum        'C2 H3 Cl1 Cu1 N1'
_cod_database_code               2000781
Structure of a bicyclic organostannane resulting from a trimethyltin hydride addition-cyclization reaction
Bélanger-Gariépy, F.; Léger, R.; Hanessian, S.; Acta Crystallographica Section C 48 (1992) 1309–1310; doi:10.1107/S0108270191013793

data_2000782
_publ_section_title
;
 Structure of a bicyclic organostannane resulting from a trimethyltin
 hydride addition-cyclization reaction
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1309
_journal_page_last               1310
_journal_paper_doi               10.1107/S0108270191013793
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H32 O4 Sn'
_chemical_formula_weight         431.14
_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_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                71.64(2)
_cell_angle_beta                 79.49(2)
_cell_angle_gamma                86.62(2)
_cell_formula_units_Z            2
_cell_length_a                   7.674(2)
_cell_length_b                   11.113(3)
_cell_length_c                   13.346(4)
_cell_volume                     1062.1(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.22
_exptl_crystal_density_diffrn    1.348
_exptl_crystal_F_000             444
_cod_data_source_file            cd0062.cif
_cod_data_source_block           cd0062a
_cod_original_formula_sum        'C18 H32 O4 Sn1'
_cod_database_code               2000782
Structure of the mixed-valence complex [Rh~2~(μ-{(C~6~H~5~)~2~PCH~2~P(C~6~H~5~)~2~})~2~(μ-N~2~C~5~H~7~)(<i>tert</i>-C~4~H~9~NC)~2~](PF~6~)~2~
Tortorelli, L. J.; Woods, C.; Campana, C. F.; Acta Crystallographica Section C 48 (1992) 1311–1312; doi:10.1107/S0108270191014294

data_2000783
_publ_section_title
;Structure of the mixed-valence complex
 [Rh~2~(\m-{(C~6~H~5~)~2~PCH~2~P(C~6~H~5~)~2~})~2~(\m-N~2~C~5~H~7~)(<i>tert</i>-C~4~H~9~NC)~2~](PF~6~)~2~
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1311
_journal_page_last               1312
_journal_paper_doi               10.1107/S0108270191014294
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C65 H69 N4 P4 Rh2,2(F6 P1)'
_chemical_formula_sum            'C65 H69 F12 N4 P10 Rh2'
_chemical_formula_weight         1525.9
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   21.817(3)
_cell_length_b                   21.817(3)
_cell_length_c                   30.658(5)
_cell_volume                     17759(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    6.4
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_F_000             6200
_cod_data_source_file            cr0383.cif
_cod_data_source_block           cr0383a
_cod_depositor_comments
;
 Correcting the _cell_angle_gamma data item value by changing it from '120' to
 '90' and correcting the _cell_length_b data item value by changing it from
 '30.658(5)' to '21.817(3)' after consulting the original publication.

 Antanas Vaitkus,
 2017-11-18
;
_cod_original_cell_volume        14592(5)
_cod_original_sg_symbol_H-M      'I -42d'
_cod_database_code               2000783
μ-[Bis(diphenylphosphino)methane]-bis[pentafluorophenylgold(I)] at 178 K
Jones, P. G.; Thöne, C.; Acta Crystallographica Section C 48 (1992) 1312–1314; doi:10.1107/S0108270191014518

data_2000784
_publ_section_title
;
 \m-[Bis(diphenylphosphino)methane]-bis[pentafluorophenylgold(I)] at
 178 K
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1312
_journal_page_last               1314
_journal_paper_doi               10.1107/S0108270191014518
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C37 H22 Au2 F10 P2'
_chemical_formula_weight         1112.4
_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                 95.85(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.141(4)
_cell_length_b                   20.209(5)
_cell_length_c                   14.207(4)
_cell_volume                     4038.9(19)
_diffrn_radiation_type           monoclinic
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    7.4
_exptl_crystal_density_diffrn    1.829
_exptl_crystal_F_000             2088
_cod_data_source_file            ha0092.cif
_cod_data_source_block           ha0092a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        4039
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2000784
Bis[1,1-di(2-pyridyl)ethyl methyl ether-<i>N</i>,<i>N</i>',<i>O</i>]copper(II) di-μ-iodo-bis[iodoargentate(I)]
Jones, P. G.; Acta Crystallographica Section C 48 (1992) 1314–1315; doi:10.1107/S0108270191014506

data_2000785
_publ_section_title
;
 Bis[1,1-di(2-pyridyl)ethyl methyl
 ether-<i>N</i>,<i>N</i>',<i>O</i>]copper(II)
 di-\m-iodo-bis[iodoargentate(I)]
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1314
_journal_page_last               1315
_journal_paper_doi               10.1107/S0108270191014506
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C26 H28 Cu1 N4 O2,Ag2 I4'
_chemical_formula_sum            'C26 H28 Ag2 Cu I4 N4 O2'
_chemical_formula_weight         1215.4
_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_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                110.221(10)
_cell_angle_beta                 95.476(10)
_cell_angle_gamma                93.420(12)
_cell_formula_units_Z            1
_cell_length_a                   8.5402(14)
_cell_length_b                   10.0286(16)
_cell_length_c                   10.584(2)
_cell_volume                     842.6(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    5.4
_exptl_crystal_density_diffrn    2.395
_exptl_crystal_F_000             563
_cod_data_source_file            ha0094.cif
_cod_data_source_block           ha0094a
_cod_original_cell_volume        842.6(2)
_cod_original_formula_sum        'C26 H28 Ag2 Cu1 I4 N4 O2'
_cod_database_code               2000785
Bis(2,2'-bipyridine)isocyanatocopper(II) perchlorate
McAuliffe, C. A.; Pritchard, R. G.; Bermejo, M. R.; Garcia-Vazquez, A.; Macias, A.; Sanmartín, J.; Romero, J.; Sousa, A.; Acta Crystallographica Section C 48 (1992) 1316–1317; doi:10.1107/S010827019101449X

data_2000786
_publ_section_title
;
 Bis(2,2'-bipyridine)isocyanatocopper(II) perchlorate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1316
_journal_page_last               1317
_journal_paper_doi               10.1107/S010827019101449X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C21 H16 Cu1 N5 O1,Cl1 O4'
_chemical_formula_sum            'C21 H16 Cl Cu N5 O5'
_chemical_formula_weight         517.39
_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_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.7(2)
_cell_angle_beta                 99.7(2)
_cell_angle_gamma                105.1(2)
_cell_formula_units_Z            2
_cell_length_a                   10.20(2)
_cell_length_b                   13.55(4)
_cell_length_c                   7.980(10)
_cell_volume                     1048(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.22
_exptl_crystal_density_diffrn    1.640
_exptl_crystal_F_000             526
_cod_data_source_file            al0480.cif
_cod_data_source_block           al0480a
_cod_original_cell_volume        1047(4)
_cod_original_formula_sum        'C21 H16 Cl1 Cu1 N5 O5'
_cod_database_code               2000786
Structure du 6-(4-méthylpipérazin-1-yl)-11<i>H</i>-pyrido[2,3-<i>b</i>][1,4]benzodiazépine 1,5-hydrate
Dupont, L.; Englebert, S.; Dideberg, O.; Liégeois, J. F.; Delarge, J.; Acta Crystallographica Section C 48 (1992) 1322–1324; doi:10.1107/S0108270191013744

data_2000787
_publ_section_title
;Structure du
 6-(4-m\'ethylpip\'erazin-1-yl)-11<i>H</i>-pyrido[2,3-<i>b</i>][1,4]benzodiaz\'epine
 1,5-hydrate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1322
_journal_page_last               1324
_journal_paper_doi               10.1107/S0108270191013744
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C17 H19 N5,1.5(H2 O1)'
_chemical_formula_sum            'C17 H22 N5 O2'
_chemical_formula_weight         320.4
_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                107.370(10)
_cell_angle_beta                 98.15(2)
_cell_angle_gamma                110.420(10)
_cell_formula_units_Z            4
_cell_length_a                   11.268(3)
_cell_length_b                   12.815(3)
_cell_length_c                   13.720(4)
_cell_volume                     1703.7(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    5.92
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_F_000             684
_cod_data_source_file            pa0256.cif
_cod_data_source_block           pa0256a
_cod_original_cell_volume        1703.80(10)
_cod_database_code               2000787
Structure of 2-hydroxy-1-naphthaldehyde
Maniukiewicz, W.; Bukowska-Strzyżewska, M.; Acta Crystallographica Section C 48 (1992) 1324–1326; doi:10.1107/S0108270191013628

data_2000788
_publ_section_title
;
 Structure of 2-hydroxy-1-naphthaldehyde
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1324
_journal_page_last               1326
_journal_paper_doi               10.1107/S0108270191013628
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C11 H8 O2'
_chemical_formula_weight         172.18
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.400(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.6300(10)
_cell_length_b                   9.341(2)
_cell_length_c                   15.531(3)
_cell_volume                     808.0(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.75
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_density_meas      1.41
_exptl_crystal_F_000             360
_cod_data_source_file            al0517.cif
_cod_data_source_block           al0517a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2000788
Structure of <small>DL</small>-desthiobiotin
Okabe, N.; Tatsumi, M.; Sasaki, Y.; Acta Crystallographica Section C 48 (1992) 1326–1327; doi:10.1107/S010827019101380X

data_2000789
_publ_section_title
;
 Structure of <small>DL</small>-desthiobiotin
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1326
_journal_page_last               1327
_journal_paper_doi               10.1107/S010827019101380X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C10 H18 N2 O3'
_chemical_formula_weight         214.26
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.140(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.149(2)
_cell_length_b                   10.9340(10)
_cell_length_c                   12.0640(10)
_cell_volume                     1205.0(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.685
_exptl_crystal_density_diffrn    1.181
_exptl_crystal_F_000             464
_cod_data_source_file            as0509.cif
_cod_data_source_block           as0509a
_cod_original_cell_volume        1205.1(5)
_cod_database_code               2000789
Monoprotonated perchlorate salt of tris(2-pyridyl)methanol
Boggess, R. K.; Acta Crystallographica Section C 48 (1992) 1327–1329; doi:10.1107/S0108270191013860

data_2000790
_publ_section_title
;
 Monoprotonated perchlorate salt of tris(2-pyridyl)methanol
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1327
_journal_page_last               1329
_journal_paper_doi               10.1107/S0108270191013860
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C16 H14 N3 O1,Cl1 O4'
_chemical_formula_sum            'C16 H14 Cl N3 O5'
_chemical_formula_weight         363.8
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.94(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.301(3)
_cell_length_b                   13.300(4)
_cell_length_c                   10.817(3)
_cell_volume                     1652.8(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.26
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_F_000             752
_cod_data_source_file            cr0377.cif
_cod_data_source_block           cr0377a
_cod_original_formula_sum        'C16 H14 Cl1 N3 O5'
_cod_database_code               2000790
Structure of ethyl 1-<i>p</i>-anisyl-7,8-dimethoxy-4,5-dimethyl-3-phenyl-3a,4,5,9b-tetrahydropyrazolo[3,4-<i>c</i>]isoquinoline-3a-carboxylate
Theobald, F.; Rodier, N.; Moustaid, K.; Nguyen Dinh An; Laude, B.; Acta Crystallographica Section C 48 (1992) 1329–1331; doi:10.1107/S0108270191013719

data_2000791
_publ_section_title
;Structure of ethyl
 1-<i>p</i>-anisyl-7,8-dimethoxy-4,5-dimethyl-3-phenyl-3a,4,5,9b-tetrahydropyrazolo[3,4-<i>c</i>]isoquinoline-3a-carboxylate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1329
_journal_page_last               1331
_journal_paper_doi               10.1107/S0108270191013719
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C30 H33 N3 O5'
_chemical_formula_weight         515.6
_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_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.08(2)
_cell_angle_beta                 105.16(2)
_cell_angle_gamma                100.12(2)
_cell_formula_units_Z            2
_cell_length_a                   10.936(2)
_cell_length_b                   8.8460(10)
_cell_length_c                   14.600(3)
_cell_volume                     1341.4(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.67
_exptl_crystal_density_diffrn    1.277
_exptl_crystal_density_meas      1.280(10)
_exptl_crystal_F_000             548
_cod_data_source_file            pa0252.cif
_cod_data_source_block           pa0252a
_cod_original_cell_volume        1341.3(9)
_cod_database_code               2000791
<i>N</i>-Benzylmethanesulfonamide
Elmore, D. T.; Jones, J. H.; Raissi, M.; Prout, K.; Acta Crystallographica Section C 48 (1992) 1331–1333; doi:10.1107/S0108270191013987

data_2000792
_publ_section_title
;
 <i>N</i>-Benzylmethanesulfonamide
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1331
_journal_page_last               1333
_journal_paper_doi               10.1107/S0108270191013987
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C8 H11 N O2 S'
_chemical_formula_weight         185.24
_chemical_name_systematic        N-benzylmethanesulfonamide
_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_Hall           'P 2c -2b'
_space_group_name_H-M_alt        'P b c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4732
_cell_length_b                   8.6274
_cell_length_c                   19.4255
_cell_volume                     917.262
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    2.77
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_F_000             392
_cod_data_source_file            ha0085.cif
_cod_data_source_block           ha0085a
_cod_original_cell_volume        917.2613
_cod_original_formula_sum        'C8 H11 N1 O2 S1'
_cod_database_code               2000792
Structure of 1,2,4,5-tetrakis(trifluoromethyl)benzene
Lynch, V. M.; Kampa, J. J.; Lagow, R. J.; Davis, B. E.; Acta Crystallographica Section C 48 (1992) 1339–1341; doi:10.1107/S0108270191013963

data_2000793
_publ_section_title
;
 Structure of 1,2,4,5-tetrakis(trifluoromethyl)benzene
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1339
_journal_page_last               1341
_journal_paper_doi               10.1107/S0108270191013963
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C10 H2 F12'
_chemical_formula_weight         350.11
_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            4
_cell_length_a                   9.203(3)
_cell_length_b                   9.81(3)
_cell_length_c                   12.705(6)
_cell_volume                     1147(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.234
_exptl_crystal_density_diffrn    2.03
_exptl_crystal_F_000             680
_cod_data_source_file            st0561.cif
_cod_data_source_block           st0561a
_cod_original_cell_volume        1147.0(7)
_cod_database_code               2000793
Structure of <i>cis</i>-2-methyl-4-tosyloxymethyl-1,3-dioxolane
Frydenvang, K.; Jensen, B.; Acta Crystallographica Section C 48 (1992) 1341–1343; doi:10.1107/S0108270191014622

data_2000794
_publ_section_title
;
 Structure of <i>cis</i>-2-methyl-4-tosyloxymethyl-1,3-dioxolane
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1341
_journal_page_last               1343
_journal_paper_doi               10.1107/S0108270191014622
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C12 H16 O5 S'
_chemical_formula_weight         272.3
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_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                   20.301(5)
_cell_length_b                   8.952(2)
_cell_length_c                   14.707(6)
_cell_volume                     2672.8(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.240
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_F_000             1152
_cod_data_source_file            ab0261.cif
_cod_data_source_block           ab0261a
_cod_original_cell_volume        2673(2)
_cod_original_formula_sum        'C12 H16 O5 S1'
_cod_database_code               2000794