LMucko/crystallography-open-database huggingface dataset:
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja044542i

data_4100096
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja044542i
_journal_year                    2005
_chemical_formula_sum            'C14 H16 O2'
_chemical_formula_weight         216.27
_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                 98.399(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.1004(8)
_cell_length_b                   10.1648(11)
_cell_length_c                   13.3393(14)
_cell_measurement_temperature    193(2)
_cell_volume                     1086.6(2)
_exptl_crystal_density_diffrn    1.322
_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/c'
_cod_database_code               4100096
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja044542i

data_4100097
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja044542i
_journal_year                    2005
_chemical_formula_sum            'C14 H20 O3'
_chemical_formula_weight         236.30
_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                 96.766(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.7483(14)
_cell_length_b                   8.5538(9)
_cell_length_c                   11.2196(12)
_cell_measurement_temperature    193(2)
_cell_volume                     1214.9(2)
_exptl_crystal_density_diffrn    1.292
_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/c'
_cod_database_code               4100097
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja044542i

data_4100098
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja044542i
_journal_year                    2005
_chemical_formula_sum            'C21 H22 N2 O9'
_chemical_formula_weight         446.41
_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                88.583(2)
_cell_angle_beta                 87.417(2)
_cell_angle_gamma                82.263(2)
_cell_formula_units_Z            4
_cell_length_a                   6.5607(7)
_cell_length_b                   12.2817(13)
_cell_length_c                   25.088(3)
_cell_measurement_temperature    193(2)
_cell_volume                     2000.7(4)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.482
_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 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4100098
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja044999s

data_4100099
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja044999s
_journal_year                    2005
_chemical_formula_sum            'C15 H19 N O3 S'
_chemical_formula_weight         293.37
_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                   8.3728(13)
_cell_length_b                   10.2615(16)
_cell_length_c                   18.297(3)
_cell_measurement_temperature    193(2)
_cell_volume                     1572.0(4)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.240
_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               4100099
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja044999s

data_4100100
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja044999s
_journal_year                    2005
_chemical_formula_sum            'C17 H21 N O3'
_chemical_formula_weight         287.35
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 110.039(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.856(3)
_cell_length_b                   9.209(3)
_cell_length_c                   12.593(3)
_cell_measurement_temperature    193(2)
_cell_volume                     1618.5(7)
_exptl_crystal_density_diffrn    1.179
_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      'C c'
_cod_database_code               4100100
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja044999s

data_4100101
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja044999s
_journal_year                    2005
_chemical_formula_sum            'C15 H26 Cl N O'
_chemical_formula_weight         271.82
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.036(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.8777(15)
_cell_length_b                   7.7795(14)
_cell_length_c                   13.672(3)
_cell_measurement_temperature    213(2)
_cell_volume                     819.5(3)
_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'
_cod_database_code               4100101
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042930e

data_4100102
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042930e
_journal_year                    2005
_chemical_formula_sum            'C58 H70 Cl8 Fe2 P2 Pd2'
_chemical_formula_weight         1437.18
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.483(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.5209(6)
_cell_length_b                   15.1921(7)
_cell_length_c                   15.0232(6)
_cell_measurement_temperature    120(2)
_cell_volume                     2926.7(2)
_exptl_crystal_density_diffrn    1.631
_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'
_cod_database_code               4100102
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0424631

data_4100103
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0424631
_journal_year                    2005
_chemical_formula_sum            'C184 H150 Cl10 N44 O46'
_chemical_formula_weight         4067.98
_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                 91.670(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.8066(6)
_cell_length_b                   14.6508(3)
_cell_length_c                   44.3633(9)
_cell_measurement_temperature    193(2)
_cell_volume                     18065.4(7)
_exptl_crystal_density_diffrn    1.496
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100103
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja043189d

data_4100104
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja043189d
_journal_year                    2005
_chemical_formula_sum            'C17 H19 S'
_chemical_formula_weight         255.38
_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                 93.97(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   31.075(6)
_cell_length_b                   7.3950(15)
_cell_length_c                   5.8660(12)
_cell_measurement_temperature    293(2)
_cell_volume                     1344.8(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.261
_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'
_cod_database_code               4100104
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja043189d

data_4100105
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja043189d
_journal_year                    2005
_chemical_formula_sum            'C22 H14 S2'
_chemical_formula_weight         342.45
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   34.243(7)
_cell_length_b                   7.5118(15)
_cell_length_c                   6.0908(12)
_cell_measurement_temperature    293(2)
_cell_volume                     1566.7(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.452
_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               4100105
Hideko Koshima; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja044472f

data_4100106
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja044472f
_journal_year                    2005
_chemical_formula_sum            'C17 H17 Cl N2 O2'
_chemical_formula_weight         316.79
_space_group_IT_number           19
_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                   15.141(2)
_cell_length_b                   16.700(4)
_cell_length_c                   6.269(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_volume                     1585.2(5)
_cod_original_formula_sum        'C17 H17 Cl N2 O2 '
_cod_database_code               4100106
Jeremiah A Marsden; MIke M. Haley; Fusen Han; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja044175a

data_4100107
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja044175a
_journal_year                    2005
_chemical_formula_sum            'C70 H90 N4'
_chemical_formula_weight         987.46
_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                65.1270(10)
_cell_angle_beta                 71.281(2)
_cell_angle_gamma                79.797(2)
_cell_formula_units_Z            1
_cell_length_a                   11.2352(8)
_cell_length_b                   11.5362(8)
_cell_length_c                   13.4393(9)
_cell_measurement_temperature    153(2)
_cell_volume                     1494.92(18)
_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 
;
_cod_database_code               4100107
Jeremiah A Marsden; MIke M. Haley; Fusen Han; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja044175a

data_4100108
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja044175a
_journal_year                    2005
_chemical_formula_sum            'C54 H54 N4 O4'
_chemical_formula_weight         823.01
_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                112.913(4)
_cell_angle_beta                 90.637(4)
_cell_angle_gamma                103.570(3)
_cell_formula_units_Z            2
_cell_length_a                   13.001(2)
_cell_length_b                   13.594(2)
_cell_length_c                   14.847(3)
_cell_measurement_temperature    153(2)
_cell_volume                     2334.1(7)
_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 
;
_cod_database_code               4100108
Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J.; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja050154k

data_4100109
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050154k
_journal_year                    2005
_chemical_formula_moiety         'C33 H36 N3 Rh'
_chemical_formula_sum            'C33 H36 N3 Rh'
_chemical_formula_weight         577.56
_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                 92.6900(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.4645(10)
_cell_length_b                   17.7575(15)
_cell_length_c                   13.7191(11)
_cell_measurement_temperature    100(2)
_cell_volume                     2789.9(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.375
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100109
Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J.; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja050154k

data_4100110
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050154k
_journal_year                    2005
_chemical_formula_moiety         '2(C33 H36 Ag N3 Rh), 2(B F4), C2 H3 N1'
_chemical_formula_sum            'C68 H75 Ag2 B2 F8 N7 Rh2'
_chemical_formula_weight         1585.53
_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                77.6600(10)
_cell_angle_beta                 68.1070(10)
_cell_angle_gamma                71.6640(10)
_cell_formula_units_Z            2
_cell_length_a                   13.5520(11)
_cell_length_b                   16.2471(13)
_cell_length_c                   16.6517(14)
_cell_measurement_temperature    100(2)
_cell_volume                     3209.8(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.640
_cod_database_code               4100110
Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J.; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja050154k

data_4100111
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050154k
_journal_year                    2005
_chemical_formula_sum            'C38 H39 Ag3 F9 N4 O9 Rh S3'
_chemical_formula_weight         1389.43
_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                 113.5970(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.9776(19)
_cell_length_b                   10.6829(9)
_cell_length_c                   21.8444(19)
_cell_measurement_temperature    100(2)
_cell_volume                     4699.9(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.964
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100111
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051002s

data_4100112
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051002s
_journal_year                    2005
_chemical_formula_sum            'C22 H35 N O3'
_chemical_formula_weight         361.51
_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                   6.6718(14)
_cell_length_b                   12.839(3)
_cell_length_c                   26.802(6)
_cell_measurement_temperature    295(2)
_cell_volume                     2295.8(9)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.046
_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               4100112
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051002s

data_4100113
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051002s
_journal_year                    2005
_chemical_formula_sum            'C80 H104 F6 N10 O15'
_chemical_formula_weight         1559.73
_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                   9.6390(9)
_cell_length_b                   23.908(2)
_cell_length_c                   38.807(4)
_cell_measurement_temperature    100(2)
_cell_volume                     8943.3(14)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.158
_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               4100113
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0503884

data_4100114
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0503884
_journal_year                    2005
_chemical_formula_moiety         '(C12 H11 N O S6)2, AsF6'
_chemical_formula_sum            'C24 H22 As F6 N2 O2 S12'
_chemical_formula_weight         944.08
_chemical_name_common            '2 EDT-TTF(methyloxazoline) AsF6'
_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                83.523(4)
_cell_angle_beta                 86.529(3)
_cell_angle_gamma                85.458(4)
_cell_formula_units_Z            1
_cell_length_a                   6.4102(3)
_cell_length_b                   7.5058(4)
_cell_length_c                   17.9870(4)
_cell_measurement_temperature    293(2)
_cell_volume                     856.03(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.831
_cod_database_code               4100114