LMucko/crystallography-open-database huggingface dataset:
Crystal structure of iodo-(9-methylene-5,6-dihydro-10,10-dimethoxycarbonyl- benzo[f]pyrrolidino[2,1-a]isoquinoline-5-methyl)-triphenylphosphine- palladium(II)—dichloromethane (1/0.5), (C~40~H~37~INO~4~PPd) · 1/2 (CH~2~Cl~2~)
Bavoux, C.; Fabritius, C.-H.; Clique, B.; Monteiro, N.; Balme, G.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 633–634; doi:10.1524/ncrs.2001.216.14.667

data_8101111
_publ_section_title
;
 Crystal structure of iodo-(9-methylene-5,6-dihydro-10,10-dimethoxycarbonyl-
 benzo[f]pyrrolidino[2,1-a]isoquinoline-5-methyl)-triphenylphosphine-
 palladium(II)---dichloromethane (1/0.5), (C~40~H~37~INO~4~PPd) &#x00B7; 
 1/2 (CH~2~Cl~2~)
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              633
_journal_page_last               634
_journal_paper_doi               10.1524/ncrs.2001.216.14.667
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         '(C40 H37 I N O4 P Pd),1/2(C H2 Cl2)'
_chemical_formula_structural     '(C40 H37 I N O4 P Pd). 1/2(C H2 Cl2)'
_chemical_formula_sum            'C40.5 H38 Cl I N O4 P Pd'
_chemical_formula_weight         902.44
_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                86.99(3)
_cell_angle_beta                 78.04(3)
_cell_angle_gamma                68.60(3)
_cell_formula_units_Z            2
_cell_length_a                   11.291(2)
_cell_length_b                   12.161(2)
_cell_length_c                   15.324(3)
_cell_measurement_temperature    273(2)
_cell_volume                     1915.8(7)
_diffrn_ambient_temperature      273(2)
_exptl_crystal_density_diffrn    1.564
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-09-10

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_formula_sum        'C40.50 H38 Cl I N O4 P Pd'
_cod_database_code               8101111
Crystal structure of diaquabis[N-2-aminophenyl-5-methylpyrazol-yl acetamido]zinc(II) diperchlorate, C~24~H~34~N~8~O~4~Zn(ClO4)~2~
Chkirate, K.; Regragui, R.; Essassi, E. M.; Pierrot, M.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 635–636; doi:

data_8101112
_publ_section_title
;
Crystal structure of diaquabis[N-2-aminophenyl-5-methylpyrazol-yl 
acetamido]zinc(II) diperchlorate, C~24~H~34~N~8~O~4~Zn(ClO4)~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              635
_journal_page_last               636
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C24 H34 Cl2 N8 O12 Zn0.5 '
_chemical_formula_structural     'C24 H34 Cl2 N8 O12 Zn0.5 '
_chemical_formula_sum            'C24 H34 Cl2 N8 O12 Zn0.5'
_chemical_formula_weight         730.2
_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                90.000(1)
_cell_angle_beta                 154.373(3)
_cell_angle_gamma                90.000(1)
_cell_formula_units_Z            2
_cell_length_a                   15.7901(6)
_cell_length_b                   11.5163(4)
_cell_length_c                   20.1992(6)
_cell_measurement_temperature    298
_cell_volume                     1588.6(1)
_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_original_formula_sum        'C24 H34 Cl2 N8 O12 Zn0.5 '
_cod_database_code               8101112
Crystal structure of trans-azido-bis(dimethylglyoximato)-triphenylphosphine- cobalt(III), C~26~H~29~CoN~7~O~4~P, at 200 K
Vogt, Martin; Schütt, Thomas; Kemmerich, Timm; Klapötke, Thomas M.; Beck, Wolfgang; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 637–638; doi:

data_8101113
_publ_section_title
;
Crystal structure of trans-azido-bis(dimethylglyoximato)-triphenylphosphine-
cobalt(III), C~26~H~29~CoN~7~O~4~P, at 200 K
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              637
_journal_page_last               638
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C26 H29 Co N7 O4 P'
_chemical_formula_sum            'C26 H29 Co N7 O4 P'
_chemical_formula_weight         593.46
_space_group_IT_number           29
_symmetry_cell_setting           Orthogonal
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.1046(4)
_cell_length_b                   11.0696(3)
_cell_length_c                   16.5588(10)
_cell_measurement_temperature    200(2)
_cell_volume                     2768.7(2)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.424
_cod_database_code               8101113
Crystal structure of (1S,5R,6R,7R)-7-(tert-butyldiphenylsilyloxy)- 6-vinyl-2-oxabicyclo[3.3.0]octan-3-one, C~25~H~30~O~3~Si
Tinant, Bernard; Depré, Dominique; Ghosez, Léon; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 639–640; doi:

data_8101114
_publ_section_title
;
Crystal structure of (1S,5R,6R,7R)-7-(tert-butyldiphenylsilyloxy)-
6-vinyl-2-oxabicyclo[3.3.0]octan-3-one, C~25~H~30~O~3~Si
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              639
_journal_page_last               640
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C25 H30 O3 Si'
_chemical_formula_structural     'C25 H30 O3 Si'
_chemical_formula_sum            'C25 H30 O3 Si'
_chemical_formula_weight         406.58
_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                   9.828(5)
_cell_length_b                   13.723(5)
_cell_length_c                   17.716(11)
_cell_measurement_temperature    293(2)
_cell_volume                     2389.4(21)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.130
_cod_database_code               8101114
Crystal structure of (1S,5R,6S,7R)-7-(tert-butyldiphenylsilyloxy)- 6-vinyl-2-oxabicyclo[3.3.0]octan-3-one, C~25~H~30~O~3~Si
Tinant, Bernard; Depré, Dominique; Ghosez, Léon; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 641–642; doi:

data_8101115
_publ_section_title
;
Crystal structure of (1S,5R,6S,7R)-7-(tert-butyldiphenylsilyloxy)-
6-vinyl-2-oxabicyclo[3.3.0]octan-3-one, C~25~H~30~O~3~Si
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              641
_journal_page_last               642
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C25 H30 O3 Si'
_chemical_formula_structural     'C25 H30 O3 Si'
_chemical_formula_sum            'C25 H30 O3 Si'
_chemical_formula_weight         406.58
_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                 102.990(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.7500(10)
_cell_length_b                   7.6910(10)
_cell_length_c                   16.055(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1173.1(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.151
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8101115
Crystal structure of (1R,5S,6S,7R)-7-(tert-butyldiphenylsilyloxy)- 6-vinyl-2-oxabicyclo[3.3.0]octan-3-one, C~25~H~30~O~3~Si
Tinant, Bernard; Depré, Dominique; Ghosez, Léon; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 643–644; doi:

data_8101116
_publ_section_title
;
Crystal structure of (1R,5S,6S,7R)-7-(tert-butyldiphenylsilyloxy)-
6-vinyl-2-oxabicyclo[3.3.0]octan-3-one, C~25~H~30~O~3~Si
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              643
_journal_page_last               644
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C25 H30 O3 Si'
_chemical_formula_structural     'C25 H30 O3 Si'
_chemical_formula_sum            'C25 H30 O3 Si'
_chemical_formula_weight         406.58
_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                 104.10(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.385(5)
_cell_length_b                   16.748(9)
_cell_length_c                   13.381(7)
_cell_measurement_temperature    293(2)
_cell_volume                     2257.2(30)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.196
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               8101116
Refinement of the crystal structure of di(acetatodiethanolamin)copper (II) complex, Cu[N(CH~2~COO)(CH~2~CH~2~OH)~2~]~2~
Krimi Ammar, Mehrzia; Ben Amor, Fatma; Driss, Ahmed; Jouini, Tahar; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 631–632; doi:

data_8101117
_publ_section_title
;
Refinement of the crystal structure of di(acetatodiethanolamin)copper
(II) complex, Cu[N(CH~2~COO)(CH~2~CH~2~OH)~2~]~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              631
_journal_page_last               632
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C12 H24 Cu N2 O8'
_chemical_formula_structural     'Cu[N(CH2 COO)(CH2 CH2 OH)2]2'
_chemical_formula_sum            'C12 H24 Cu N2 O8'
_chemical_formula_weight         387.87
_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                90.00
_cell_angle_beta                 110.960(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.1669(2)
_cell_length_b                   12.3360(10)
_cell_length_c                   9.481(2)
_cell_measurement_temperature    293(2)
_cell_volume                     782.8(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.646
_refine_ls_R_factor_obs          0.0267
_refine_ls_wR_factor_obs         0.0783
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (3 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     '-P 2ab'
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               8101117
Crystal structure of 4-aza-2-(hydroxyimino)-3-methyl-5-(2-pyridyl) pent-3-ene, C~10~H~13~N~3~O
Iulek, J.; Zukerman-Schpector, J.; Stadler, C. C.; Tozetto, A.; Vega, Mauricio; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 585–586; doi:

data_8101118
_publ_section_title
;
Crystal structure of 4-aza-2-(hydroxyimino)-3-methyl-5-(2-pyridyl)
pent-3-ene, C~10~H~13~N~3~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              585
_journal_page_last               586
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C10 H13 N3 O'
_chemical_formula_structural     'C10 H13 N3 O'
_chemical_formula_sum            'C10 H13 N3 O'
_chemical_formula_weight         191.23
_chemical_melting_point          416
_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                 91.360(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.1477(9)
_cell_length_b                   18.768(2)
_cell_length_c                   7.6510(10)
_cell_volume                     1026.1(2)
_diffrn_ambient_temperature      291(1)
_exptl_crystal_density_diffrn    1.238
_refine_ls_R_factor_obs          0.0447
_refine_ls_wR_factor_obs         0.1311
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8101118
Crystal structure of 4,9-dimethyl-9,10-dihydroacridine, C~15~H~15~N
Sourdon, V.; Boyer, G.; Galy, J.-P.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 645–646; doi:

data_8101119
_publ_section_title
;
Crystal structure of 4,9-dimethyl-9,10-dihydroacridine, C~15~H~15~N
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              645
_journal_page_last               646
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C15 H15 N'
_chemical_formula_structural     'C15 H15 N'
_chemical_formula_sum            'C15 H15 N'
_chemical_formula_weight         209.292
_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                90.000(10)
_cell_angle_beta                 108.839(3)
_cell_angle_gamma                90.000(10)
_cell_formula_units_Z            4
_cell_length_a                   10.7295(6)
_cell_length_b                   15.1279(8)
_cell_length_c                   7.7526(3)
_cell_measurement_temperature    298
_cell_volume                     1191.0(10)
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    1.167
_refine_ls_R_factor_obs          0.037
_refine_ls_wR_factor_obs         0.062
_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               8101119
Crystal structure of 2-[(tert-butyldimethylsilyloxy)-6-phenyl]-1-cyclohexene- 1-carbonitrile, C~19~H~27~NOSi
Fleming, Fraser F.; Pu, Yifang; Norman, Richard E.; Chang, Shih-Chi; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 647–648; doi:

data_8101120
_publ_section_title
;
Crystal structure of 2-[(tert-butyldimethylsilyloxy)-6-phenyl]-1-cyclohexene-
1-carbonitrile, C~19~H~27~NOSi
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              647
_journal_page_last               648
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C19 H27 N O Si '
_chemical_formula_sum            'C19 H27 N O Si'
_chemical_formula_weight         313.51
_space_group_IT_number           2
_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                106.54(2)
_cell_angle_beta                 93.57(2)
_cell_angle_gamma                116.21(2)
_cell_formula_units_Z            2
_cell_length_a                   12.069(3)
_cell_length_b                   12.499(3)
_cell_length_c                   7.577(2)
_cell_measurement_temperature    294
_cell_volume                     959.3(6)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    1.085
_cod_original_formula_sum        'C19 H27 N O Si '
_cod_database_code               8101120
Crystal structure of 2-phenyl-2-cyclohexene-1-one oxime, C~12~H~13~NO
Meenakshi, C.; Ramamoorthy, V.; Muthusubramanian, S.; Sivasubramanian, S.; Ziegler, T.; Lex, J.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 649–650; doi:

data_8101121
_publ_section_title
;
Crystal structure of 2-phenyl-2-cyclohexene-1-one oxime, C~12~H~13~NO
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              649
_journal_page_last               650
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C12 H13 N O'
_chemical_formula_sum            'C12 H13 N O'
_chemical_formula_weight         187.23
_chemical_melting_point          431
_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                68.40(1)
_cell_angle_beta                 77.04(1)
_cell_angle_gamma                76.21(1)
_cell_formula_units_Z            2
_cell_length_a                   6.276(1)
_cell_length_b                   8.914(1)
_cell_length_c                   10.151(1)
_cell_measurement_temperature    293(2)
_cell_volume                     506.90(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.227
_cod_database_code               8101121
Crystal structure of 2-(4-methoxyphenyl)-2-cyclohexene-1-one oxime, C~13~H~15~NO~2~
Meenakshi, C.; Ramamoorthy, V.; Muthusubramanian, S.; Sivasubramanian, S.; Ziegler, T.; Lex, J.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 651–652; doi:

data_8101122
_publ_section_title
;
Crystal structure of 2-(4-methoxyphenyl)-2-cyclohexene-1-one oxime, 
C~13~H~15~NO~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              651
_journal_page_last               652
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C13 H15 N O2'
_chemical_formula_sum            'C13 H15 N O2'
_chemical_formula_weight         217.26
_chemical_melting_point          442.5(5)
_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                70.60(1)
_cell_angle_beta                 85.80(1)
_cell_angle_gamma                83.49(1)
_cell_formula_units_Z            2
_cell_length_a                   6.493(1)
_cell_length_b                   9.195(1)
_cell_length_c                   10.225(1)
_cell_measurement_temperature    293(2)
_cell_volume                     571.7(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.262
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '442-443' was changed to '442.5(5)' -
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               8101122
Crystal structure of 2-(3,4-dimethylphenyl)-2-cyclohexene-1-one oxime, C~14~H~17~NO
Meenakshi, C.; Ramamoorthy, V.; Muthusubramanian, S.; Sivasubramanian, S.; Ziegler, T.; Lex, J.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 653–654; doi:

data_8101123
_publ_section_title
;
Crystal structure of 2-(3,4-dimethylphenyl)-2-cyclohexene-1-one oxime, 
C~14~H~17~NO
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              653
_journal_page_last               654
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C14 H17 N O'
_chemical_formula_sum            'C14 H17 N O'
_chemical_formula_weight         215.29
_chemical_melting_point          428
_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                67.69(1)
_cell_angle_beta                 80.71(1)
_cell_angle_gamma                79.29(1)
_cell_formula_units_Z            2
_cell_length_a                   6.731(1)
_cell_length_b                   8.757(1)
_cell_length_c                   11.348(1)
_cell_measurement_temperature    293(2)
_cell_volume                     604.99(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.182
_cod_database_code               8101123
Crystal structure of pyridine-2-carbaldehyde thiosemicarbazonium perchlorate, (C~7~H~9~N~4~S)(ClO~4~)
Morsali, Ali; Ramazani, Ali; Jamali, Fahimeh; Gouranlou, Farideh; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 607–608; doi:

data_8101124
_publ_section_title
;Crystal structure of pyridine-2-carbaldehyde thiosemicarbazonium perchlorate,
 (C~7~H~9~N~4~S)(ClO~4~)
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              607
_journal_page_last               608
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C7 H9 N4 S1 1+, Cl1 O4 1-'
_chemical_formula_structural     '(C7 H9 N4 S1) (Cl O4)'
_chemical_formula_sum            'C7 H9 Cl N4 O4 S'
_chemical_formula_weight         280.69
_chemical_melting_point          215
_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                104.836(3)
_cell_angle_beta                 99.612(3)
_cell_angle_gamma                101.635(3)
_cell_formula_units_Z            2
_cell_length_a                   7.5560(11)
_cell_length_b                   8.6238(12)
_cell_length_c                   8.9656(13)
_cell_measurement_temperature    110(2)
_cell_volume                     538.18(13)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.732
_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_formula_sum        'C7 H9 Cl1 N4 O4 S1'
_cod_database_code               8101124