LMucko/crystallography-open-database huggingface dataset:
trans-Dichlorobis(triphenylphosphine-P)platinum(II)
Johansson, Maria H.; Otto, Stefanus; Acta Crystallographica, Section C 56 (2000) e12–e15; doi:10.1107/S010827019901608X

data_2010566
_publ_section_title
;
trans-Dichlorobis(triphenylphosphine-P)platinum(II)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              e12
_journal_page_last               e15
_journal_paper_doi               10.1107/S010827019901608X
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         '[Pt Cl~2~{P(C~6~H~5~)~3~}~2~]'
_chemical_formula_sum            'C36 H30 Cl2 P2 Pt'
_chemical_formula_weight         790.53
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.44(3)
_cell_angle_beta                 88.50(3)
_cell_angle_gamma                68.19(3)
_cell_formula_units_Z            1
_cell_length_a                   9.1857(18)
_cell_length_b                   9.6334(19)
_cell_length_c                   10.379(2)
_cell_measurement_temperature    293(2)
_cell_volume                     809.1(3)
_exptl_crystal_density_diffrn    1.622
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (5 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2010566
Mercury(II) tungstate from neutron powder data
Åsberg Dahlborg, Magnus B.; Svensson, Göran; Ouvarova, Tatiana; Acta Crystallographica Section C 56 (2000) 397–398; doi:10.1107/S0108270199013864

data_2010794
_publ_section_title
;
 Mercury(II) tungstate from neutron powder data
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              397
_journal_page_last               398
_journal_paper_doi               10.1107/S0108270199013864
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         HgWO4
_chemical_formula_sum            'Hg O4 W'
_chemical_formula_weight         448.44
_chemical_name_systematic        ' mercury(II) tungstate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 113.159(4)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   11.3606(8)
_cell_length_b                   6.0125(4)
_cell_length_c                   5.1482(4)
_cell_measurement_temperature    295
_cell_volume                     323.31(4)
_computing_cell_refinement       Fullprof
_computing_data_collection       'Fullprof (Rodriguez-Carvajal, 1997)'
_computing_data_reduction        Fullprof
_computing_molecular_graphics    'ATOMS (Dowty, 1998)'
_computing_publication_material
'WinPLOTR (Roisnel and Rodriguez-Carvajal, 1999)'
_computing_structure_refinement  Fullprof
_computing_structure_solution    Fullprof
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'neutron powder diffractometer'
_diffrn_radiation_monochromator  Cu(220)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.470
_exptl_crystal_density_diffrn    9.212
_exptl_crystal_density_method    'not measured'
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.23
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     27
_refine_ls_shift/su_max          <0.01
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            br1261.cif
_cod_data_source_block           I
_cod_original_cell_volume        323.32(4)
_cod_original_sg_symbol_Hall     -c_2yc
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2010794
Structural study of AgNbO~3~ at room temperature
Fábry, Jan; Zikmund, Zdeněk; Kania, Antoni; Petříček, Václav; Acta Crystallographica, Section C 56 (2000) 916–918; doi:10.1107/S0108270100006806

data_2011198
_publ_section_title
;
Structural study of AgNbO~3~ at room temperature
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              916
_journal_page_last               918
_journal_paper_doi               10.1107/S0108270100006806
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          'Ag Nb O3'
_chemical_formula_moiety         'Ag Nb O3'
_chemical_formula_structural     'Ag Nb O3'
_chemical_formula_sum            'Ag Nb O3'
_chemical_formula_weight         248.77
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   5.5462(3)
_cell_length_b                   5.6028(4)
_cell_length_c                   15.6365(13)
_cell_measurement_temperature    292.0(10)
_cell_volume                     485.90(6)
_exptl_crystal_density_diffrn    6.799
_cod_database_code               2011198
_cod_duplicate_entry 1100916
Diaquabis{4,5-dihydro-[1,2,4]triazolo-[2,3-a]pyrimidin-5-one-N^3^} bis(thiocyanato-N)nickel(II)
Abul-Haj, Mohammad; Quirós, Miguel; Salas, Juan M.; Acta Crystallographica, Section C 56 (2000) 934–935; doi:10.1107/S0108270100007198

data_2011228
_publ_section_title
;
Diaquabis{4,5-dihydro-[1,2,4]triazolo-[2,3-a]pyrimidin-5-one-N^3^}
bis(thiocyanato-N)nickel(II)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              934
_journal_page_last               935
_journal_paper_doi               10.1107/S0108270100007198
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Ni(CNS)2 (C5 H4 N4 O)2 (H2 O)2 ]'
_chemical_formula_moiety         'C12 H12 N10 Ni O4 S2'
_chemical_formula_sum            'C12 H12 N10 Ni O4 S2'
_chemical_formula_weight         483.15
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.331(3)
_cell_angle_beta                 108.534(3)
_cell_angle_gamma                105.041(3)
_cell_formula_units_Z            1
_cell_length_a                   7.8040(3)
_cell_length_b                   7.9946(3)
_cell_length_c                   8.9870(3)
_cell_measurement_temperature    293(2)
_cell_volume                     471.17(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.703
_cod_database_code               2011228
A ruthenium(II) complex with p-cymene and (S)-2-anilinoethylpyrrolidine
Aitali, Mustapha; El Firdoussi, Larbi; Karim, Abdellah; Barrero, Alejandro F.; Quirós, Miguel; Acta Crystallographica, Section C 56 (2000) 1088–1089; doi:10.1107/S0108270100008787

data_2011325
_publ_section_title
;
A ruthenium(II) complex with p-cymene and (S)-2-anilinoethylpyrrolidine
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1088
_journal_page_last               1089
_journal_paper_doi               10.1107/S0108270100008787
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[RuCl(C10 H14 )(C11 H16 N2 )]Cl'
_chemical_formula_moiety         'C21 H30 ClN2 Ru + , Cl - '
_chemical_formula_sum            'C21 H30 Cl2 N2 Ru'
_chemical_formula_weight         482.44
_space_group_IT_number           19
_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                   8.2107(3)
_cell_length_b                   9.3093(4)
_cell_length_c                   26.8707(9)
_cell_measurement_temperature    295.0(10)
_cell_volume                     2053.89(13)
_diffrn_ambient_temperature      295.0(10)
_exptl_crystal_density_diffrn    1.560
_cod_database_code               2011325
[H~3~N(CH~2~)~5~NH~3~].AlP~2~O~8~H, a one-dimensional aluminophosphate
Phan Thanh, S.; Marrot, J.; Renaudin, J.; Maisonneuve, V.; Acta Crystallographica, Section C 56 (2000) 1073–1074; doi:10.1107/S0108270100008532

data_2011331
_publ_section_title
;
[H~3~N(CH~2~)~5~NH~3~].AlP~2~O~8~H, a one-dimensional aluminophosphate
;
_journal_coeditor_code           GS1096
_journal_issue                   9
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1073
_journal_page_last               1074
_journal_paper_doi               10.1107/S0108270100008532
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         '(C5 H16 N2 )[AlHP2 O8 ]'
_chemical_formula_sum            'C5 H17 Al N2 O8 P2'
_chemical_formula_weight         322.13
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.1470(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.8783(2)
_cell_length_b                   10.46890(10)
_cell_length_c                   16.0680(4)
_cell_measurement_temperature    296(2)
_cell_volume                     1319.90(5)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.621
_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 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2011331
Synthetic mansfieldite, AlAsO~4~.2H~2~O
Harrison, William T. A.; Acta Crystallographica, Section C 56 (2000) e421–e421; doi:10.1107/S0108270100011690

data_2011450
_publ_section_title
;
Synthetic mansfieldite, AlAsO~4~.2H~2~O
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              e421
_journal_page_last               e421
_journal_paper_doi               10.1107/S0108270100011690
_journal_volume                  56
_journal_year                    2000
_chemical_compound_source        Synthetic
_chemical_formula_moiety         ' Al, As O4,2(H2 O)'
_chemical_formula_sum            'Al As H4 O6'
_chemical_formula_weight         201.93
_chemical_name_mineral           Mansfieldite
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_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                   8.8218(5)
_cell_length_b                   9.8252(6)
_cell_length_c                   10.1163(6)
_cell_measurement_temperature    298
_cell_volume                     876.8(2)
_database_code_amcsd             0010322
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.06
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 
;
_cod_original_formula_sum        ' Al1 As1 H4 O6 '
_cod_database_code               2011450
Bismuth(V) iron(III) tris(phosphate) oxide
Benabad, Aicha; Bakhous, Karima; Cherkaoui, Fatima; Holt, Elizabeth M.; Acta Crystallographica, Section C 56 (2000) 1292–1293; doi:10.1107/S010827010000977X

data_2011491
_publ_section_title
;
Bismuth(V) iron(III) tris(phosphate) oxide
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1292
_journal_page_last               1293
_journal_paper_doi               10.1107/S010827010000977X
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         'Bi0.4 Fe3 O (PO4)3'
_chemical_formula_structural     'Bi0.4 Fe3 O (PO4)3'
_chemical_formula_sum            'Bi0.4 Fe3 O13 P3'
_chemical_formula_weight         552.04
_chemical_name_common            'Bismuth(V)iron(III) oxophosphate'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.110(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.4960(10)
_cell_length_b                   6.3080(10)
_cell_length_c                   10.125(2)
_cell_measurement_temperature    293(2)
_cell_volume                     471.32(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.890
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               2011491
_cod_duplicate_entry 1100910
Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction
Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.; Acta Crystallographica, Section C 56 (2000) 1289–1291; doi:10.1107/S0108270100008763

data_2011492
_publ_section_title
;
Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K
by X-ray and at 15 K by neutron diffraction
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1289
_journal_page_last               1291
_journal_paper_doi               10.1107/S0108270100008763
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         'Na2 Fe (C N)5 N O , 2D2 O'
_chemical_formula_sum            'C5 D4 Fe N6 Na2 O3'
_chemical_formula_weight         301.97
_chemical_name_common            'Sodium nitroprusside, deuterated'
_space_group_IT_number           58
_space_group_name_Hall           '-P 2 2n'
_space_group_name_H-M_alt        'P n n m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.207(3)
_cell_length_b                   11.915(5)
_cell_length_c                   15.583(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1152.5(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.740
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 
;
_cod_database_code               2011492
_cod_duplicate_entry 1100911
Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction
Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.; Acta Crystallographica, Section C 56 (2000) 1289–1291; doi:10.1107/S0108270100008763

data_2011493
_publ_section_title
;
Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K
by X-ray and at 15 K by neutron diffraction
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1289
_journal_page_last               1291
_journal_paper_doi               10.1107/S0108270100008763
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         'Na2 Fe (C N)5 N O , 2D2 O'
_chemical_formula_sum            'C5 D4 Fe N6 Na2 O3'
_chemical_formula_weight         301.97
_chemical_name_common            'Sodium nitroprusside, deuterated'
_space_group_IT_number           58
_space_group_name_Hall           '-P 2 2n'
_space_group_name_H-M_alt        'P n n m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.124(2)
_cell_length_b                   11.837(5)
_cell_length_c                   15.547(6)
_cell_measurement_temperature    11.0(10)
_cell_volume                     1127.0(7)
_diffrn_ambient_temperature      11(2)
_exptl_crystal_density_diffrn    1.780
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 
;
_cod_database_code               2011493
_cod_duplicate_entry 1100912
Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction
Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.; Acta Crystallographica, Section C 56 (2000) 1289–1291; doi:10.1107/S0108270100008763

data_2011494
_publ_section_title
;
Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K
by X-ray and at 15 K by neutron diffraction
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1289
_journal_page_last               1291
_journal_paper_doi               10.1107/S0108270100008763
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         'Na2 Fe (C N)5 N O , 1.45D2 O , 0.55H2 O'
_chemical_formula_sum            'C5 H1.1 D2.9 Fe N6 Na2 O3'
_chemical_formula_weight         300.87
_chemical_name_common            'Sodium nitroprusside, deuterated'
_space_group_IT_number           58
_space_group_name_Hall           '-P 2 2n'
_space_group_name_H-M_alt        'P n n m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   6.124(2)
_cell_length_b                   11.837(5)
_cell_length_c                   15.547(6)
_cell_measurement_temperature    11
_cell_volume                     1127.0(7)
_diffrn_ambient_temperature      15
_exptl_crystal_density_diffrn    1.774
_refine_ls_R_factor_obs          .058
_refine_ls_wR_factor_obs         .051
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 
;
_cod_original_formula_sum        'C5 H1.1 D2.9 Fe1 N6 Na2 O3'
_cod_database_code               2011494
_cod_duplicate_entry 1100913
Intermolecular O-H...O hydrogen bonding in the three independent molecules of (2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acid
Brady, Fiona; Gallagher, John F.; Acta Crystallographica, Section C 56 (2000) 1407–1410; doi:10.1107/S010827010001163X

data_2011576
_publ_section_title
;
Intermolecular O-H...O hydrogen bonding in the three independent molecules
of (2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acid
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1407
_journal_page_last               1410
_journal_paper_doi               10.1107/S010827010001163X
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         'C17 H15 N O4'
_chemical_formula_sum            'C17 H15 N O4'
_chemical_formula_weight         297.30
_chemical_melting_point          503
_space_group_IT_number           19
_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            12
_cell_length_a                   10.7589(9)
_cell_length_b                   17.8696(17)
_cell_length_c                   22.6670(18)
_cell_measurement_temperature    294.0(10)
_cell_volume                     4357.9(7)
_diffrn_ambient_temperature      294.0(10)
_exptl_crystal_density_diffrn    1.359
_cod_database_code               2011576
_cod_duplicate_entry 1100907
(1R,2S,3S,6R,9S)-5,5,10,10-Tetrachloro-2-methyltricyclo[7,2,0,0^3,6^] undec-7-ene-4,11-dione
Coquerel, Yoann; Blanc, Aurélien; Deprés, Jean-Pierre; Greene, Andrew E.; Averbuch, Marie-Thérèse; Philouze, Christian; Durif, André; Acta Crystallographica, Section C 56 (2000) 1480–1481; doi:10.1107/S0108270100012361

data_2011608
_publ_section_title
;
(1R,2S,3S,6R,9S)-5,5,10,10-Tetrachloro-2-methyltricyclo[7,2,0,0^3,6^]
undec-7-ene-4,11-dione
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1480
_journal_page_last               1481
_journal_paper_doi               10.1107/S0108270100012361
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         'C12 H10 Cl4 O2'
_chemical_formula_sum            'C12 H10 Cl4 O2'
_chemical_formula_weight         328.02
_space_group_IT_number           14
_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                 105.80(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.320(8)
_cell_length_b                   12.390(4)
_cell_length_c                   11.219(2)
_cell_measurement_temperature    293
_cell_volume                     1380.0(10)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.578
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2011608
_cod_duplicate_entry 2000072