LMucko/crystallography-open-database huggingface dataset:
In situ crystallization of low-melting ionic liquids.
Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.; Journal of the American Chemical Society 127 (2005) 16792–16793; doi:10.1021/ja055956u

data_4100973
_publ_section_title
;
 In situ crystallization of low-melting ionic liquids.
;
_journal_issue                   48
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16792
_journal_page_last               16793
_journal_paper_doi               10.1021/ja055956u
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C11 H20 F6 N2 O4 S2'
_chemical_formula_weight         422.41
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_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                   8.3947(11)
_cell_length_b                   13.0106(16)
_cell_length_c                   16.582(2)
_cell_measurement_temperature    130(2)
_cell_volume                     1811.1(4)
_diffrn_ambient_temperature      130(2)
_exptl_crystal_density_diffrn    1.549
_cod_data_source_file            4100973.cif
_cod_data_source_block           4100973
_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 

 Adding full bibliography for
 /tmp/tmp-cod-update-bibliographies-19669/cifs/4100973.cif.
;
_cod_database_code               4100973
In situ crystallization of low-melting ionic liquids.
Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.; Journal of the American Chemical Society 127 (2005) 16792–16793; doi:10.1021/ja055956u

data_4100974
_publ_section_title
;
 In situ crystallization of low-melting ionic liquids.
;
_journal_issue                   48
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16792
_journal_page_last               16793
_journal_paper_doi               10.1021/ja055956u
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C6 H11 B F4 N2'
_chemical_formula_weight         197.98
_chemical_name_common            '[emim]BF4'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.7200(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.76180(10)
_cell_length_b                   9.39610(10)
_cell_length_c                   11.4246(2)
_cell_measurement_temperature    173(2)
_cell_volume                     929.68(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.414
_cod_data_source_file            4100974.cif
_cod_data_source_block           4100974
_cod_depositor_comments
;Adding full bibliography for
 /tmp/tmp-cod-update-bibliographies-20640/cifs/4100974.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100974
In situ crystallization of low-melting ionic liquids.
Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.; Journal of the American Chemical Society 127 (2005) 16792–16793; doi:10.1021/ja055956u

data_4100975
_publ_section_title
;
 In situ crystallization of low-melting ionic liquids.
;
_journal_issue                   48
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16792
_journal_page_last               16793
_journal_paper_doi               10.1021/ja055956u
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C13 H18 F6 N2 O4 S2'
_chemical_formula_weight         444.41
_chemical_name_common            '[nhexpy]NTF2'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                71.969(3)
_cell_angle_beta                 83.335(2)
_cell_angle_gamma                88.815(2)
_cell_formula_units_Z            4
_cell_length_a                   8.7916(16)
_cell_length_b                   12.911(2)
_cell_length_c                   18.341(3)
_cell_measurement_temperature    125(2)
_cell_volume                     1966.0(6)
_diffrn_ambient_temperature      125.0(2)
_exptl_crystal_density_diffrn    1.501
_cod_data_source_file            4100975.cif
_cod_data_source_block           4100975
_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.

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

 Adding full bibliography for
 /tmp/tmp-cod-update-bibliographies-19669/cifs/4100975.cif.
;
_cod_database_code               4100975
Cucurbit[10]uril.
Liu, Simin; Zavalij, Peter Y.; Isaacs, Lyle; Journal of the American Chemical Society 127 (2005) 16798–16799; doi:10.1021/ja056287n

data_4100976
_publ_section_title
;
 Cucurbit[10]uril.
;
_journal_issue                   48
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16798
_journal_page_last               16799
_journal_paper_doi               10.1021/ja056287n
_journal_volume                  127
_journal_year                    2005
_chemical_formula_moiety
'(C60 H60 N40 O20), (C17 H21 N7 O)2, I4, (H2 O) 32.94'
_chemical_formula_sum            'C94 H167.87 I4 N54 O54.94'
_chemical_formula_weight         3441.25
_chemical_name_common            'CB10 @ bis-diammonium tetraidodide hydrate'
_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            2
_cell_length_a                   19.476(4)
_cell_length_b                   20.192(4)
_cell_length_c                   18.567(4)
_cell_measurement_temperature    233(2)
_cell_volume                     7302(3)
_diffrn_ambient_temperature      233(2)
_exptl_crystal_density_diffrn    1.565
_cod_data_source_file            4100976.cif
_cod_data_source_block           4100976
_cod_depositor_comments
;Adding full bibliography for
 /tmp/tmp-cod-update-bibliographies-19669/cifs/4100976.cif.
;
_cod_database_code               4100976
Jennifer A. McMahon; Peddy Vishweshwar; Matthew L. Peterson; Michael J. Zaworotko; Journal of the American Chemical Society  (2005) –; doi:

data_4100977
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C15 H12 N2 O, C9 H8 O4'
_chemical_formula_sum            'C24 H20 N2 O5'
_chemical_formula_weight         416.42
_chemical_name_common
'1:1 Co-crystal of Aspirin and  Carbamazepine'
_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                60.350(4)
_cell_angle_beta                 85.599(4)
_cell_angle_gamma                84.724(4)
_cell_formula_units_Z            2
_cell_length_a                   9.0317(18)
_cell_length_b                   11.364(2)
_cell_length_c                   11.424(2)
_cell_measurement_temperature    100(2)
_cell_volume                     1014.0(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.364
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4100977
Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko; Journal of the American Chemical Society  (2005) –; doi:

data_4100978
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C9 H8 O4'
_chemical_formula_sum            'C9 H8 N0 O4'
_chemical_formula_weight         180.15
_chemical_name_common            'Form-II of Aspirin'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 111.509(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.095(7)
_cell_length_b                   6.491(4)
_cell_length_c                   11.323(6)
_cell_measurement_temperature    100(2)
_cell_volume                     827.1(8)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.447
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100978
Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko; Journal of the American Chemical Society  (2005) –; doi:

data_4100979
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C44 H40 Br2 N2 O4'
_chemical_formula_weight         820.60
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.6300(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.3272(7)
_cell_length_b                   11.6860(5)
_cell_length_c                   16.0890(6)
_cell_measurement_temperature    100(2)
_cell_volume                     3630.0(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.502
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100979
Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko; Journal of the American Chemical Society  (2005) –; doi:

data_4100980
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C10 H17 N4 O3,  B F4'
_chemical_formula_sum            'C10 H17 B F4 N4 O3'
_chemical_formula_weight         328.20
_chemical_name_common
;
4-(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-morpholin-4-ium; tetrafluoro borate
;
_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_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.59250(10)
_cell_length_b                   10.65520(10)
_cell_length_c                   21.2960(2)
_cell_measurement_temperature    273(2)
_cell_volume                     1495.93(3)
_diffrn_ambient_temperature      273(2)
_exptl_crystal_density_diffrn    1.457
_cod_database_code               4100980
Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko; Journal of the American Chemical Society  (2005) –; doi:

data_4100981
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C9 H14 N4 O3'
_chemical_formula_sum            'C9 H14 N4 O3'
_chemical_formula_weight         226.24
_chemical_name_common            2,4-Dimethoxy-6-morpholin-4-yl-[1,3,5]triazine
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 125.930(20)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.258(2)
_cell_length_b                   9.2156(18)
_cell_length_c                   14.158(5)
_cell_measurement_temperature    295(2)
_cell_volume                     1083.8(5)
_diffrn_ambient_temperature      294(2)
_exptl_crystal_density_diffrn    1.387
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100981
3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors
Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop; Journal of the American Chemical Society  (2005) –; doi:

data_4100982
_publ_section_title
;
3H-Benzophosphepine Complexes: Versatile
Phosphinidene Precursors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C22 H16 O10 P2 W2'
_chemical_formula_sum            'C22 H16 O10 P2 W2'
_chemical_formula_weight         869.99
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.038(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.7509(4)
_cell_length_b                   14.9157(8)
_cell_length_c                   26.1982(13)
_cell_measurement_temperature    150(2)
_cell_volume                     2636.3(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    2.192
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100982
3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors
Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop; Journal of the American Chemical Society  (2005) –; doi:

data_4100983
_publ_section_title
;
3H-Benzophosphepine Complexes: Versatile
Phosphinidene Precursors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C32 H20 Mo2 O10 P2'
_chemical_formula_sum            'C32 H20 Mo2 O10 P2'
_chemical_formula_weight         818.30
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 111.9773(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.0413(1)
_cell_length_b                   21.6707(3)
_cell_length_c                   17.8474(3)
_cell_measurement_temperature    150(2)
_cell_volume                     3242.75(8)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.676
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100983
3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors
Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop; Journal of the American Chemical Society  (2005) –; doi:

data_4100984
_publ_section_title
;
3H-Benzophosphepine Complexes: Versatile
Phosphinidene Precursors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C38 H20 O10 P2 W2'
_chemical_formula_sum            'C38 H20 O10 P2 W2'
_chemical_formula_weight         1066.18
_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                88.441(2)
_cell_angle_beta                 83.323(2)
_cell_angle_gamma                79.194(1)
_cell_formula_units_Z            2
_cell_length_a                   8.0153(3)
_cell_length_b                   10.6946(4)
_cell_length_c                   22.3651(5)
_cell_measurement_temperature    150(2)
_cell_volume                     1870.34(10)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.893
_cod_database_code               4100984
3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors
Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop; Journal of the American Chemical Society  (2005) –; doi:

data_4100985
_publ_section_title
;
3H-Benzophosphepine Complexes: Versatile
Phosphinidene Precursors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C32 H18 O10 P2 W2'
_chemical_formula_sum            'C32 H18 O10 P2 W2'
_chemical_formula_weight         992.10
_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                103.5604(4)
_cell_angle_beta                 99.8561(5)
_cell_angle_gamma                103.9820(4)
_cell_formula_units_Z            2
_cell_length_a                   10.4762(1)
_cell_length_b                   11.3603(1)
_cell_length_c                   14.8964(1)
_cell_measurement_temperature    150(2)
_cell_volume                     1622.87(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    2.030
_cod_database_code               4100985
3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors
Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop; Journal of the American Chemical Society  (2005) –; doi:

data_4100986
_publ_section_title
;
3H-Benzophosphepine Complexes: Versatile
Phosphinidene Precursors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C32 H16 Mo2 O10 P2'
_chemical_formula_sum            'C32 H16 Mo2 O10 P2'
_chemical_formula_weight         814.27
_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                90.529(2)
_cell_angle_beta                 98.060(1)
_cell_angle_gamma                104.808(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2748(4)
_cell_length_b                   12.0660(6)
_cell_length_c                   15.2717(6)
_cell_measurement_temperature    150(2)
_cell_volume                     1634.16(12)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.655
_cod_database_code               4100986
3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors
Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop; Journal of the American Chemical Society  (2005) –; doi:

data_4100987
_publ_section_title
;
3H-Benzophosphepine Complexes: Versatile
Phosphinidene Precursors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C21 H16 Mn O2 P'
_chemical_formula_sum            'C21 H16 Mn O2 P'
_chemical_formula_weight         386.25
_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                110.0434(9)
_cell_angle_beta                 95.2573(10)
_cell_angle_gamma                105.1996(8)
_cell_formula_units_Z            2
_cell_length_a                   9.2488(1)
_cell_length_b                   10.0296(1)
_cell_length_c                   10.8435(2)
_cell_measurement_temperature    150(2)
_cell_volume                     893.42(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.436
_cod_database_code               4100987
3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors
Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop; Journal of the American Chemical Society  (2005) –; doi:

data_4100988
_publ_section_title
;
3H-Benzophosphepine Complexes: Versatile
Phosphinidene Precursors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C58 H60 Fe2 N Ni P3, C4 H5 N, 2(Cl O4)'
_chemical_formula_sum            'C62 H65 Cl2 Fe2 N2 Ni O8 P3'
_chemical_formula_weight         1300.38
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.244(7)
_cell_length_b                   19.825(10)
_cell_length_c                   19.945(10)
_cell_measurement_temperature    100(2)
_cell_volume                     5632(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.534
_cod_database_code               4100988