LMucko/crystallography-open-database huggingface dataset:
Crystal structure of ethylenediammonium di(4-chlorbenzoate), (C~2~H~10~N~2~) (C~7~H~4~O~2~Cl)~2~
Xia, Jun; Wang, Xian-Jiang; Sun, Xuan-Ju; Zhu, Hai-Liang; Wang, Da-Qi; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 247–248; doi:

data_8100340
_publ_section_title
;
Crystal structure of ethylenediammonium di(4-chlorbenzoate), (C~2~H~10~N~2~)
(C~7~H~4~O~2~Cl)~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              247
_journal_page_last               248
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     (C2H10N2)(C7H4O2Cl)2
_chemical_formula_sum            'C16 H18 Cl2 N2 O4'
_chemical_formula_weight         373.22
_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                90.00
_cell_angle_beta                 96.151(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.916(12)
_cell_length_b                   9.015(5)
_cell_length_c                   8.620(5)
_cell_measurement_temperature    298(2)
_cell_volume                     1693.4(16)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.464
_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 2/c'
_cod_database_code               8100340
Crystal structure of ethylenediaminesilver(I) 4-nitrobenzoate hemi- hydrate, Ag(C~2~H~8~N~2~)(C~7~H~4~NO~4~) · 0.5H~2~O
Zhu, Hai-Liang; Wang, Xian-Jiang; Sun, Xuan-Ju; Wang, Da-Qi; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 243–244; doi:

data_8100341
_publ_section_title
;
Crystal structure of ethylenediaminesilver(I) 4-nitrobenzoate hemi-
hydrate, Ag(C~2~H~8~N~2~)(C~7~H~4~NO~4~) &#x00B7; 0.5H~2~O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              243
_journal_page_last               244
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'Ag(C2 H8 N2)(C7 H4 N1 O4) . 0.5H2 O'
_chemical_formula_sum            'C9 H13 Ag N3 O4.5'
_chemical_formula_weight         343.09
_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                90.00
_cell_angle_beta                 94.845(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   8.3305(17)
_cell_length_b                   11.645(2)
_cell_length_c                   23.947(5)
_cell_measurement_temperature    298(2)
_cell_volume                     2314.8(8)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.969
_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 2/c'
_cod_original_formula_sum        'C9 H13 Ag1 N3 O4.50'
_cod_database_code               8100341
Crystal structure of 1,2-diaminopropanesilver(I) 4-nitrobenzoate dihydrate, Ag(C~3~H~6~N~2~H~6~)(C~7~H~3~NO~4~) · 2H~2~O
Zhu, Hai-Liang; Wang, Xian-Jiang; Sun, Xuan-Ju; Wang, Da-Qi; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 249–250; doi:

data_8100342
_publ_section_title
;
Crystal structure of 1,2-diaminopropanesilver(I) 4-nitrobenzoate dihydrate, 
Ag(C~3~H~6~N~2~H~6~)(C~7~H~3~NO~4~) &#x00B7; 2H~2~O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              249
_journal_page_last               250
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C10 H18 Ag N3 O6'
_chemical_formula_sum            'C10 H18 Ag N3 O6'
_chemical_formula_weight         384.14
_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                78.505(5)
_cell_angle_beta                 78.789(4)
_cell_angle_gamma                82.023(4)
_cell_formula_units_Z            2
_cell_length_a                   7.139(2)
_cell_length_b                   7.509(2)
_cell_length_c                   14.007(4)
_cell_measurement_temperature    298(2)
_cell_volume                     717.8(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.777
_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        'C10 H18 Ag1 N3 O6'
_cod_database_code               8100342
Crystal structure of aqua-bis(4-nitrobenzoato)disilver(I), Ag~2~(C~7~H~4~NO~4~)~2~(H~2~O)
Zhu, Hai-Liang; Zhang, Xian-Ming; Yu, Qi; Wang, Da-Qi; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 251–252; doi:

data_8100343
_publ_section_title
;
Crystal structure of aqua-bis(4-nitrobenzoato)disilver(I), 
Ag~2~(C~7~H~4~NO~4~)~2~(H~2~O)
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              251
_journal_page_last               252
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C7 H5 Ag N O4.50'
_chemical_formula_sum            'C7 H5 Ag N O4.5'
_chemical_formula_weight         282.99
_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                90.00
_cell_angle_beta                 104.646(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.164(6)
_cell_length_b                   6.4510(19)
_cell_length_c                   12.219(4)
_cell_measurement_temperature    298(2)
_cell_volume                     1614.0(8)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.165
_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 2/c'
_cod_original_formula_sum        'C7 H5 Ag1 N1 O4.50'
_cod_database_code               8100343
Crystal structure of 4-aminobenzenesulfonosilver(I), C~6~H~6~AgNO~3~S
Pan, Yong-Jun; Meng, Fan-Jin; Wang, Xian-Jiang; Zhu, Hai-Liang; Wang, Da-Qi; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 253–254; doi:

data_8100344
_publ_section_title
;
Crystal structure of 4-aminobenzenesulfonosilver(I), C~6~H~6~AgNO~3~S
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              253
_journal_page_last               254
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C6 H6 Ag N O3 S'
_chemical_formula_sum            'C6 H6 Ag N O3 S'
_chemical_formula_weight         280.05
_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                 100.076(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.109(5)
_cell_length_b                   8.910(5)
_cell_length_c                   9.546(6)
_cell_measurement_temperature    293(2)
_cell_volume                     762.9(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.438
_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        'C6 H6 Ag1 N1 O3 S1'
_cod_database_code               8100344
Crystal structure of bis[N-(2-aminopropyl)-salicylaldiminato)]cobalt (III) perchlorate, C~20~H~26~ClCoN~4~O~6~
Zhu, Hai-Liang; Liu, Wei-Jiang; Wang, Ya-Feng; Wang, Da-Qi; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 255–256; doi:

data_8100345
_publ_section_title
;
Crystal structure of bis[N-(2-aminopropyl)-salicylaldiminato)]cobalt
(III) perchlorate, C~20~H~26~ClCoN~4~O~6~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              255
_journal_page_last               256
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C20 H26 Cl Co N4 O6'
_chemical_formula_sum            'C20 H26 Cl Co N4 O6'
_chemical_formula_weight         512.83
_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                 111.561(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.703(4)
_cell_length_b                   24.323(9)
_cell_length_c                   10.289(4)
_cell_measurement_temperature    298(2)
_cell_volume                     2258.4(15)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.508
_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        'C20 H26 Cl1 Co1 N4 O6'
_cod_database_code               8100345
Crystal structure of bis[N-(2-(2-hydroxyethylamino)-ethyl)salicylideneimine] cobalt(III) nitrate, C~22~H~30~CoN~5~O~7~
Zhu, Hai-Liang; Liu, Xiu-Ying; Wang, Ya-Feng; Wang, Da-Qi; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 257–258; doi:

data_8100346
_publ_section_title
;
Crystal structure of bis[N-(2-(2-hydroxyethylamino)-ethyl)salicylideneimine]
cobalt(III) nitrate, C~22~H~30~CoN~5~O~7~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              257
_journal_page_last               258
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C21.88 H30 Co N5 O7'
_chemical_formula_sum            'C21.88 H30 Co N5 O7'
_chemical_formula_weight         533.94
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   18.576(8)
_cell_length_b                   56.96(2)
_cell_length_c                   9.874(4)
_cell_measurement_temperature    298(2)
_cell_volume                     10448(8)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.358
_cod_original_formula_sum        'C21.88 H30 Co1 N5 O7'
_cod_database_code               8100346
Crystal structure of bis(thiocyanato)(γ-C-meso-5,5,7,12,12,14- hexamethyl-1,4,8,11-tetraazacyclotetradecanecopper(II), C~18~H~36~CuN~6~S~2~
Zhu, Hai-Liang; Liu, Qiong-Xin; Liu, Xing; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 259–260; doi:

data_8100347
_publ_section_title
;
Crystal structure of bis(thiocyanato)(\g-C-meso-5,5,7,12,12,14-
hexamethyl-1,4,8,11-tetraazacyclotetradecanecopper(II), C~18~H~36~CuN~6~S~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              259
_journal_page_last               260
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C18 H36 Cu N6 S2'
_chemical_formula_sum            'C18 H36 Cu N6 S2'
_chemical_formula_weight         464.19
_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                 101.08(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.6907(14)
_cell_length_b                   9.449(3)
_cell_length_c                   16.380(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1168.2(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.320
_refine_ls_R_factor_obs          0.0370
_refine_ls_wR_factor_obs         0.0857
_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        'C18 H36 Cu1 N6 S2'
_cod_database_code               8100347
Crystal structure of bis(diaqua-dicinnamatocopper(II)), C~36~H~36~Cu~2~O~12~
Zhu, Hai-Liang; Meng, Fan-Jin; Liu, Qiong-Xin; Fun, Hoong-Kun; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 261–262; doi:

data_8100348
_publ_section_title
;
Crystal structure of bis(diaqua-dicinnamatocopper(II)), C~36~H~36~Cu~2~O~12~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              261
_journal_page_last               262
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C36 H36 Cu2 O12'
_chemical_formula_structural     'C36 H36 Cu2 O12'
_chemical_formula_sum            'C36 H36 Cu2 O12'
_chemical_formula_weight         787.73
_space_group_IT_number           61
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9923(13)
_cell_length_b                   7.7056(10)
_cell_length_c                   41.770(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3538.0(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.479
_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               8100348
Crystal structure of 2,2-dibenzyl-1,3-dimethyloxypropane, C~19~H~24~O~2~
Feng, Yun-Long; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 241–242; doi:

data_8100349
_publ_section_title
;
Crystal structure of 2,2-dibenzyl-1,3-dimethyloxypropane, C~19~H~24~O~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              241
_journal_page_last               242
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C19 H24 O2'
_chemical_formula_sum            'C19 H24 O2'
_chemical_formula_weight         284.38
_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                 93.15(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.4081(17)
_cell_length_b                   13.915(3)
_cell_length_c                   14.456(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1688.8(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.119
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100349
Crystal structure of di(2,2'-bipyridine)di[μ-(2,3-dimethoxylbenzoato- O,O')]di[μ-2,3-dimethoxylbenzoato-O,O':O']di(2,3-dimethoxybenzoato)] dineodymium(III), Nd~2~(C~9~H~9~O~4~)~6~(C~10~H~8~N~2~)~2~
Li, Xia; Zou, Ying-Quan; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 213–215; doi:

data_8100350
_publ_section_title
;
Crystal structure of di(2,2'-bipyridine)di[\m-(2,3-dimethoxylbenzoato-
O,O')]di[\m-2,3-dimethoxylbenzoato-O,O':O']di(2,3-dimethoxybenzoato)]
dineodymium(III), Nd~2~(C~9~H~9~O~4~)~6~(C~10~H~8~N~2~)~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              213
_journal_page_last               215
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C37 H35 N2 Nd O12'
_chemical_formula_sum            'C37 H35 N2 Nd O12'
_chemical_formula_weight         843.91
_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                67.0720(10)
_cell_angle_beta                 83.799(2)
_cell_angle_gamma                72.887(2)
_cell_formula_units_Z            2
_cell_length_a                   10.9793(5)
_cell_length_b                   12.0965(5)
_cell_length_c                   15.3714(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1796.91(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.560
_cod_original_formula_sum        'C37 H35 N2 Nd1 O12'
_cod_database_code               8100350
Crystal structure of 4-(2-oxobenzothiazolin-3-yl)butanoic acid, C~11~H~11~NO~3~S
Baysen, Fatma; Yaǧbasan, Rahmi; Kendi, Engin; Aslantaş, Mehmet; Çakir, B.; Önkol, T.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 175–176; doi:

data_8100351
_publ_section_title
;
Crystal structure of 4-(2-oxobenzothiazolin-3-yl)butanoic acid, C~11~H~11~NO~3~S
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              175
_journal_page_last               176
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C11 H11 N O3 S'
_chemical_formula_structural     'C11 H11 N1 O3 S1'
_chemical_formula_sum            'C11 H11 N O3 S'
_chemical_formula_weight         237.27
_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                83.893(13)
_cell_angle_beta                 85.737(11)
_cell_angle_gamma                71.157(14)
_cell_formula_units_Z            2
_cell_length_a                   7.2402(12)
_cell_length_b                   7.4952(15)
_cell_length_c                   10.4268(13)
_cell_measurement_temperature    293(2)
_cell_volume                     531.98(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.481
_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        'C11 H11 N1 O3 S1'
_cod_database_code               8100351
Crystal structure of 2,3,8,9,10,11-hexahydro-7H-dibenzo[de,h]quinolin- 7-one, C~16~H~15~NO
Sobarzo-Sánchez, Eduardo; Cassels, Bruce K.; Castedo, Luis; Valencia-Matarranz, Laura; Pérez-Lourido, Paulo; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 177–178; doi:

data_8100352
_publ_section_title
;
Crystal structure of 2,3,8,9,10,11-hexahydro-7H-dibenzo[de,h]quinolin-
7-one, C~16~H~15~NO
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              177
_journal_page_last               178
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C16 H15 N O'
_chemical_formula_sum            'C16 H15 N O'
_chemical_formula_weight         237.29
_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                 95.30(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.0845(12)
_cell_length_b                   18.587(3)
_cell_length_c                   9.080(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1190.6(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.324
_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/a'
_cod_original_formula_sum        'C16 H15 N1 O1'
_cod_database_code               8100352