LMucko/crystallography-open-database huggingface dataset:
Structure of diaqua[tris(3-aminopropyl)amine]cobalt(III) aquatetrakis(trifluoromethanesulfonato)sodate(I) monohydrate
Rawji, G. H.; Lynch, V. M.; Acta Crystallographica Section C 48 (1992) 1667–1669; doi:10.1107/S0108270192001574

data_2000617
_publ_section_title
;
 Structure of diaqua[tris(3-aminopropyl)amine]cobalt(III)
 aquatetrakis(trifluoromethanesulfonato)sodate(I) monohydrate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1667
_journal_page_last               1669
_journal_paper_doi               10.1107/S0108270192001574
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C13 H32 Co F12 N4 Na O16 S4'
_chemical_formula_weight         938.6
_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                 107.400(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.2099(9)
_cell_length_b                   12.1272(12)
_cell_length_c                   21.847(2)
_cell_volume                     3339.7(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.8977
_exptl_crystal_density_diffrn    1.867
_exptl_crystal_density_meas      1.87
_exptl_crystal_F_000             1904
_cod_data_source_file            st0558.cif
_cod_data_source_block           st0558a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C13 H32 Co1 F12 Na1 N4 O16 S4'
_cod_database_code               2000617
Structure of tris(phenylseleno)phosphine
Keder, N. L.; Shibao, R. K.; Eckert, H.; Acta Crystallographica Section C 48 (1992) 1670–1671; doi:10.1107/S010827019101497X

data_2000618
_publ_section_title
;
 Structure of tris(phenylseleno)phosphine
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1670
_journal_page_last               1671
_journal_paper_doi               10.1107/S010827019101497X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C18 H15 P1 Se3'
_chemical_formula_sum            'C18 H15 P Se3'
_chemical_formula_weight         499.17
_chemical_name_systematic        tris(phenylseleno)phosphine
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   12.8896(5)
_cell_length_b                   12.8896(5)
_cell_length_c                   19.1855(7)
_cell_volume                     2760.47(18)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    6.016
_exptl_crystal_density_diffrn    1.80
_exptl_crystal_F_000             1440
_cod_data_source_file            hh0566.cif
_cod_data_source_block           hh0566a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-09
;
_cod_original_cell_volume        2760.5(2)
_cod_database_code               2000618
Structure of 3,3-bis(2-imidazolyl)propionic acid monohydrate
Gimeno, B.; Soto, L.; Sancho, A.; Dahan, F.; Legros, J.-P.; Acta Crystallographica Section C 48 (1992) 1671–1673; doi:10.1107/S0108270191015068

data_2000619
_publ_section_title
;
 Structure of 3,3-bis(2-imidazolyl)propionic acid monohydrate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1671
_journal_page_last               1673
_journal_paper_doi               10.1107/S0108270191015068
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C9 H10 N4 O2,H2 O1'
_chemical_formula_sum            'C9 H12 N4 O3'
_chemical_formula_weight         224.2
_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                89.960(10)
_cell_angle_beta                 99.720(10)
_cell_angle_gamma                95.140(10)
_cell_formula_units_Z            2
_cell_length_a                   7.3220(10)
_cell_length_b                   10.0290(10)
_cell_length_c                   7.1550(10)
_cell_volume                     515.73(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.1
_exptl_crystal_density_diffrn    1.44
_exptl_crystal_F_000             236
_cod_data_source_file            pa0265.cif
_cod_data_source_block           pa0265a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-30
;
_cod_original_cell_volume        515.8(4)
_cod_database_code               2000619
Structure of <i>tert</i>-butylammonium hexachlorotellurate(IV)
Ishida, H.; Kashino, S.; Acta Crystallographica Section C 48 (1992) 1673–1675; doi:10.1107/S0108270191015147

data_2000620
_publ_section_title
;
 Structure of <i>tert</i>-butylammonium hexachlorotellurate(IV)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1673
_journal_page_last               1675
_journal_paper_doi               10.1107/S0108270191015147
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         '2(C4 H12 N1),Cl6 Te1'
_chemical_formula_sum            'C8 H24 Cl6 N2 Te'
_chemical_formula_weight         488.6
_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                 90.14(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.620(3)
_cell_length_b                   15.719(5)
_cell_length_c                   9.945(2)
_cell_volume                     1972.8(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.318
_exptl_crystal_density_diffrn    1.645
_exptl_crystal_F_000             960
_cod_data_source_file            as0574.cif
_cod_data_source_block           as0574a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-09
;
_cod_original_cell_volume        1973.0(9)
_cod_original_formula_sum        'C8 H24 Cl6 N2 Te1'
_cod_database_code               2000620
1,3,7,9-Tetra-<i>tert</i>-butyl-2,2,8,8-tetramethyl-5,10-diphenyl-1,3,5,7,9,10-hexaaza-2,8-disila-4,6-digermadispiro[3.1.3.1]decane
Preut, H.; Klein, B.; Neumann, W. P.; Acta Crystallographica Section C 48 (1992) 1675–1677; doi:10.1107/S0108270192000453

data_2000621
_publ_section_title
1,3,7,9-Tetra-<i>tert</i>-butyl-2,2,8,8-tetramethyl-5,10-diphenyl-1,3,5,7,9,10-hexaaza-2,8-disila-4,6-digermadispiro[3.1.3.1]decane
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1675
_journal_page_last               1677
_journal_paper_doi               10.1107/S0108270192000453
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C32 H58 Ge2 N6 Si2'
_chemical_formula_weight         728.20
_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                107.27(7)
_cell_angle_beta                 100.16(8)
_cell_angle_gamma                98.05(9)
_cell_formula_units_Z            1
_cell_length_a                   9.182(11)
_cell_length_b                   9.774(9)
_cell_length_c                   11.784(10)
_cell_volume                     973.0(18)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.61
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_F_000             384
_cod_data_source_file            ka0016.cif
_cod_data_source_block           ka0016a
_cod_original_cell_volume        973(2)
_cod_database_code               2000621
Structure of a twisted styrylbenzothiazole, 2-(α-acetoxy-2-chloro-5-nitrostyryl)benzothiazole
Muir, J. A.; Cox, O.; Bernard, L. A.; Muir, M. M.; Acta Crystallographica Section C 48 (1992) 1677–1679; doi:10.1107/S010827019200043X

data_2000622
_publ_section_title
;
 Structure of a twisted styrylbenzothiazole,
 2-(\a-acetoxy-2-chloro-5-nitrostyryl)benzothiazole
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1677
_journal_page_last               1679
_journal_paper_doi               10.1107/S010827019200043X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C17 H11 Cl N2 O4 S'
_chemical_formula_weight         374.81
_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                96.97(4)
_cell_angle_beta                 102.26(3)
_cell_angle_gamma                76.74(4)
_cell_formula_units_Z            2
_cell_length_a                   9.762(4)
_cell_length_b                   10.689(5)
_cell_length_c                   8.387(3)
_cell_volume                     830.0(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.372
_exptl_crystal_density_diffrn    1.50
_exptl_crystal_F_000             384
_cod_data_source_file            st0564.cif
_cod_data_source_block           st0564a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        830.0(10)
_cod_original_formula_sum        'C17 H11 Cl1 N2 O4 S1'
_cod_database_code               2000622
Structure of 3-nitrato-1-nitroazetidine
Gilardi, R.; George, C.; Flippen-Anderson, J. L.; Acta Crystallographica Section C 48 (1992) 1679–1680; doi:10.1107/S0108270192000696

data_2000623
_publ_section_title
;
 Structure of 3-nitrato-1-nitroazetidine
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1679
_journal_page_last               1680
_journal_paper_doi               10.1107/S0108270192000696
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C3 H5 N3 O5'
_chemical_formula_weight         163.1
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 41'
_symmetry_space_group_name_H-M   'P 41'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.6460(10)
_cell_length_b                   10.6460(10)
_cell_length_c                   5.752(2)
_cell_volume                     651.9(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.15
_exptl_crystal_density_diffrn    1.662
_exptl_crystal_F_000             336
_cod_data_source_file            hh0586.cif
_cod_data_source_block           hh0586a
_cod_database_code               2000623
Structure of 1,1,3,3-tetranitrocyclobutane
Gilardi, R.; George, C.; Flippen-Anderson, J. L.; Acta Crystallographica Section C 48 (1992) 1680–1681; doi:10.1107/S0108270192000702

data_2000624
_publ_section_title
;
 Structure of 1,1,3,3-tetranitrocyclobutane
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1680
_journal_page_last               1681
_journal_paper_doi               10.1107/S0108270192000702
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C4 H4 N4 O8'
_chemical_formula_weight         236.1
_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                85.880(10)
_cell_angle_beta                 84.620(10)
_cell_angle_gamma                85.130(10)
_cell_formula_units_Z            2
_cell_length_a                   6.3010(10)
_cell_length_b                   7.8580(10)
_cell_length_c                   8.7360(10)
_cell_volume                     428.20(10)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    1.56
_exptl_crystal_density_diffrn    1.831
_exptl_crystal_F_000             240
_cod_data_source_file            hh0587.cif
_cod_data_source_block           hh0587a
_cod_database_code               2000624
Structure of 4,5-di-<i>O</i>-acetyl-6-<i>S</i>-acetyl-2,3-di-<i>S</i>-ethyl-2,3,6-trithio-<small>D</small>-allose diethyl dithioacetal
Divjaković, V.; Miljković, D.; Lajšić, S.; Klement, U.; Acta Crystallographica Section C 48 (1992) 1685–1686; doi:10.1107/S0108270192000775

data_2000625
_publ_section_title
;Structure of
 4,5-di-<i>O</i>-acetyl-6-<i>S</i>-acetyl-2,3-di-<i>S</i>-ethyl-2,3,6-trithio-<small>D</small>-allose
 diethyl dithioacetal
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1685
_journal_page_last               1686
_journal_paper_doi               10.1107/S0108270192000775
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H36 O5 S5'
_chemical_formula_weight         516.82
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.880(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.6700(10)
_cell_length_b                   17.1490(10)
_cell_length_c                   9.2240(10)
_cell_volume                     1364.2(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    4.08
_exptl_crystal_density_diffrn    1.27
_exptl_crystal_density_meas      1.26
_exptl_crystal_F_000             552
_cod_data_source_file            ge0300.cif
_cod_data_source_block           ge0300a
_cod_original_cell_volume        1364.2(3)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2000625
Structure of 5-(2-hydroxyethoxy)-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole
Sicheri, F. V.; Derry, W. B.; Gupta, R. S.; Yang, D. S.-C.; Acta Crystallographica Section C 48 (1992) 1687–1689; doi:10.1107/S0108270192001197

data_2000626
_publ_section_title
;
 Structure of
 5-(2-hydroxyethoxy)-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1687
_journal_page_last               1689
_journal_paper_doi               10.1107/S0108270192001197
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H20 O5'
_chemical_formula_weight         316.35
_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                   16.800(2)
_cell_length_b                   20.071(2)
_cell_length_c                   9.4290(10)
_cell_volume                     3179.4(6)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.753
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_density_meas      1.36(7)
_exptl_crystal_F_000             1344
_cod_data_source_file            br0013.cif
_cod_data_source_block           br0013a
_cod_original_cell_volume        3179.4(5)
_cod_database_code               2000626
<i>syn</i>-2-Benzyl-1,3-dithiane 1-oxide
Barkley, J.; Harding, M. M.; Kariuki, B. M.; Namwindwa, E. S.; Page, P. C. B.; Acta Crystallographica Section C 48 (1992) 1689–1690; doi:10.1107/S0108270192000878

data_2000627
_publ_section_title
;
 <i>syn</i>-2-Benzyl-1,3-dithiane 1-oxide
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1689
_journal_page_last               1690
_journal_paper_doi               10.1107/S0108270192000878
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C11 H14 O S2'
_chemical_formula_weight         226.35
_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                   7.598(3)
_cell_length_b                   25.635(2)
_cell_length_c                   5.774(3)
_cell_volume                     1124.6(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.420
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_F_000             480
_cod_data_source_file            li0121.cif
_cod_data_source_block           li0121a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        1124.6
_cod_original_formula_sum        'C11 H14 O1 S2'
_cod_database_code               2000627
Structure of the 1:1 complex formed by triphenylphosphine oxide and 4-nitrophenol
Fuquen, R. M.; Lechat, J. R.; Acta Crystallographica Section C 48 (1992) 1690–1692; doi:10.1107/S0108270192001227

data_2000628
_publ_section_title
;
 Structure of the 1:1 complex formed by triphenylphosphine oxide and
 4-nitrophenol
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1690
_journal_page_last               1692
_journal_paper_doi               10.1107/S0108270192001227
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C18 H15 O1 P1,C6 H5 N1 O3'
_chemical_formula_sum            'C24 H20 N O4 P'
_chemical_formula_weight         417.38
_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                92.01(2)
_cell_angle_beta                 102.90(2)
_cell_angle_gamma                106.250(10)
_cell_formula_units_Z            2
_cell_length_a                   8.6330(10)
_cell_length_b                   9.966(2)
_cell_length_c                   13.317(4)
_cell_volume                     1066.4(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.11
_exptl_crystal_density_diffrn    1.29
_exptl_crystal_density_meas      1.30
_exptl_crystal_F_000             436
_cod_data_source_file            cd0076.cif
_cod_data_source_block           cd0076a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        1066.4(5)
_cod_original_formula_sum        'C24 H20 N1 O4 P1'
_cod_database_code               2000628
Structure of 2,5:3,4-dianhydro-<small>D</small>-altritol
Garcia, J. G.; Voll, R. J.; Fronczek, F. R.; Younathan, E. S.; Acta Crystallographica Section C 48 (1992) 1692–1694; doi:10.1107/S0108270192001057

data_2000629
_publ_section_title
;
 Structure of 2,5:3,4-dianhydro-<small>D</small>-altritol
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1692
_journal_page_last               1694
_journal_paper_doi               10.1107/S0108270192001057
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C6 H10 O4'
_chemical_formula_weight         146.1
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.6209(2)
_cell_length_b                   9.1292(3)
_cell_length_c                   9.6135(5)
_cell_volume                     668.84(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.115
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_F_000             312
_cod_data_source_file            hh0600.cif
_cod_data_source_block           hh0600a
_cod_original_cell_volume        668.80(10)
_cod_database_code               2000629
Structure of 1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione (phthalimide)
Ng, S. W.; Acta Crystallographica Section C 48 (1992) 1694–1695; doi:10.1107/S0108270192000957

data_2000630
_publ_section_title
;
 Structure of 1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione (phthalimide)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1694
_journal_page_last               1695
_journal_paper_doi               10.1107/S0108270192000957
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C8 H5 N O2'
_chemical_formula_weight         147.13
_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                 91.36000
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.8036(7)
_cell_length_b                   7.6430(10)
_cell_length_c                   22.818(5)
_cell_volume                     663.2(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.191
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_F_000             304
_cod_data_source_file            as0549.cif
_cod_data_source_block           as0549a
_cod_original_cell_volume        663.1(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C8 H5 N1 O2'
_cod_database_code               2000630