LMucko/crystallography-open-database huggingface dataset:
Crystal structure of monoaquabenzoato-2,5,8-triaza-1,9-di(2-fluorobenzyl)- nonanecopper(II) benzoate dihydrate, Cu(C~25~H~30~F~2~N~3~O~3~)(C~7~H~5~O~2~) · 2H~2~O
Zhu, Hai-Liang; Shao, Si-Chang; Ma, Ji-Long; Qiu, Xiao-Yang; Yang, Song; Sun, Lin; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 503–505; doi:

data_8100448
_publ_section_title
;
Crystal structure of monoaquabenzoato-2,5,8-triaza-1,9-di(2-fluorobenzyl)-
nonanecopper(II) benzoate dihydrate, 
Cu(C~25~H~30~F~2~N~3~O~3~)(C~7~H~5~O~2~) &#x00B7; 2H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              503
_journal_page_last               505
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C25 H30 Cu F2 N3 O3, C7 H5 O2, 2H2 O'
_chemical_formula_structural     'Cu(C25 H30 F2 N3 O3)(C7 H5 O2) &#x00B7; 2H2 O'
_chemical_formula_sum            'C32 H39 Cu F2 N3 O7'
_chemical_formula_weight         679.20
_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                95.570(6)
_cell_angle_beta                 95.797(6)
_cell_angle_gamma                110.811(5)
_cell_formula_units_Z            2
_cell_length_a                   7.331(3)
_cell_length_b                   8.983(3)
_cell_length_c                   26.335(10)
_cell_measurement_temperature    298(2)
_cell_volume                     1596.4(11)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.413
_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               8100448
Crystal structure of bis[dinitrato-2,5,8-triaza-1,9-di (2-fluorobenzylnonanecopper(II)] monohydrate, Cu(C~18~H~22~F~2~N~5~O~6~)~2~ · H~2~O
Zhu, Hai-Liang; Shao, Si-Chang; Ma, Ji-Long; Qiu, Xiao-Yang; Yang, Song; Sun, Lin; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 506–508; doi:

data_8100449
_publ_section_title
;
Crystal structure of bis[dinitrato-2,5,8-triaza-1,9-di
(2-fluorobenzylnonanecopper(II)] monohydrate, 
Cu(C~18~H~22~F~2~N~5~O~6~)~2~ &#x00B7; H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              506
_journal_page_last               508
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         '2(C18 H22 Cu F2 N5 O6), H2 O'
_chemical_formula_structural     '(C18 H22 Cu F2 N5 O6)2 &#x00B7; H2 O'
_chemical_formula_sum            'C36 H48 Cu2 F4 N10 O13'
_chemical_formula_weight         1031.92
_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                 101.308(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.870(8)
_cell_length_b                   20.778(11)
_cell_length_c                   14.660(7)
_cell_measurement_temperature    298(2)
_cell_volume                     4441(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.543
_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               8100449
Crystal structure of di(2-aminopyridine)-tetrakis[N-(2-aminopropyl) salicylaldiminato)]tricobalt(III) diperchlorate, Co~3~(C~56~H~48~N~12~O~4~) (ClO~4~)~2~
Zhu, Hai-Liang; Shao, Si-Chang; Ma, Ji-Long; Qiu, Xiao-Yang; Yang, Song; Sun, Lin; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 509–510; doi:

data_8100450
_publ_section_title
;
Crystal structure of di(2-aminopyridine)-tetrakis[N-(2-aminopropyl)
salicylaldiminato)]tricobalt(III) diperchlorate, Co~3~(C~56~H~48~N~12~O~4~)
(ClO~4~)~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              509
_journal_page_last               510
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C58 H48 Co3 N12 O4, Cl2 O8'
_chemical_formula_structural     'Co3(C58 H48 N12 O4) (Cl O4)2'
_chemical_formula_sum            'C58 H48 Cl2 Co3 N12 O12'
_chemical_formula_weight         1352.77
_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                78.968(5)
_cell_angle_beta                 89.827(5)
_cell_angle_gamma                60.605(4)
_cell_formula_units_Z            1
_cell_length_a                   11.640(3)
_cell_length_b                   11.693(3)
_cell_length_c                   12.218(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1414.1(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.589
_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      P1-
_cod_database_code               8100450
Crystal structure of dimethylglyoxime 2-picoloylhydrazone, C~10~H~12~N~4~O~2~
Ling, Hong; Wu, Wen-Shi; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 525–526; doi:

data_8100451
_publ_section_title
;
Crystal structure of dimethylglyoxime 2-picoloylhydrazone, C~10~H~12~N~4~O~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              525
_journal_page_last               526
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'C10 H12 N4 O2'
_chemical_formula_weight         220.24
_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                 100.3846(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.7138(3)
_cell_length_b                   25.7705(12)
_cell_length_c                   7.3379(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1062.79(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.376
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100451
Crystal structure of (2-picoloylcarbonyl)thiosemicarbazone, C~7~H~10~N~4~O~2~S
Wu, Wen-shi; Feng, Yun-Long; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 527–528; doi:

data_8100452
_publ_section_title
;Crystal structure of (2-picoloylcarbonyl)thiosemicarbazone,
 C~7~H~10~N~4~O~2~S
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              527
_journal_page_last               528
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'C7 H10 N4 O2 S'
_chemical_formula_weight         214.25
_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            8
_cell_length_a                   12.1705(9)
_cell_length_b                   7.4205(17)
_cell_length_c                   22.7584(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2055.3(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.385
_cod_database_code               8100452
Crystal structure of di[potassium(18-crown-6)]dipotassium nonastannide (4–) — diethylenediamine solvate (1:1.5), [K(C~12~H~24~O~6~)]~2~K~2~ [Sn~9~] · 1.5C~2~N~2~H~8~
Hauptmann, Ralf; Fässler, Thomas F.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 458–460; doi:

data_8100453
_publ_section_title
;
Crystal structure of di[potassium(18-crown-6)]dipotassium nonastannide
(4--) --- diethylenediamine solvate (1:1.5), [K(C~12~H~24~O~6~)]~2~K~2~
[Sn~9~] &#x00B7; 1.5C~2~N~2~H~8~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              458
_journal_page_last               460
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural
' [K(C12 H24 O6)]2 K2 [Sn9]  &#x00B7; 1.5C2N2H8'
_chemical_formula_sum            'C27 H60 K4 N3 O12 Sn9'
_chemical_formula_weight         1843.39
_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                 102.56(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.410(2)
_cell_length_b                   25.659(5)
_cell_length_c                   20.636(4)
_cell_measurement_temperature    150(2)
_cell_volume                     5380.1(19)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    2.276
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100453
Crystal structure of [bis(2-hydroxybenzylidenethiosemicarbazone)iron(II)] hydrate, Fe(C~16~H~16~N~6~O~2~S~2~) · H~2~O
Wu, Wen-shi; Feng, Yun-Long; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 529–530; doi:

data_8100454
_publ_section_title
;
Crystal structure of [bis(2-hydroxybenzylidenethiosemicarbazone)iron(II)] 
hydrate, Fe(C~16~H~16~N~6~O~2~S~2~) &#x00B7; H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              529
_journal_page_last               530
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'Fe(C16 H16 N6 O2 S2) &#x00B7; H2 O'
_chemical_formula_sum            'C16 H18 Fe N6 O3 S2'
_chemical_formula_weight         462.33
_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                 93.006(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9754(5)
_cell_length_b                   18.2294(11)
_cell_length_c                   11.5546(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1887.92(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.627
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C16 H18 Fe1 N6 O3 S2'
_cod_database_code               8100454
Crystal structure of di[potassium([2.2.2]crypt)]tetrapotassium octadecagermanide(6‒) — ethylenediamine solvate (1:6), [K(C~18~H~36~N~2~O~6~)]~2~K~4~(Ge~9~)~2~ · 6C~2~N~2~H~8~
Hauptmann, Ralf; Fässler, Thomas F.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 461–463; doi:

data_8100455
_publ_section_title
;
Crystal structure of di[potassium([2.2.2]crypt)]tetrapotassium 
octadecagermanide(6--) --- ethylenediamine solvate (1:6), 
[K(C~18~H~36~N~2~O~6~)]~2~K~4~(Ge~9~)~2~ &#x00B7; 6C~2~N~2~H~8~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              461
_journal_page_last               463
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural
;
 [K(C18 H36 N2 O6)]2 K4[Ge9-Ge9] &#x00B7; 6C2N2H8 
;
_chemical_formula_sum            'C48 H120 Ge18 K6 N16 O12'
_chemical_formula_weight         2654.82
_space_group_IT_number           2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                84.74(3)
_cell_angle_beta                 81.35(3)
_cell_angle_gamma                80.18(3)
_cell_formula_units_Z            1
_cell_length_a                   9.4080(19)
_cell_length_b                   13.606(3)
_cell_length_c                   19.507(4)
_cell_measurement_temperature    150(2)
_cell_volume                     2426.8(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.817
_cod_database_code               8100455
Crystal structure of tris(nitrato-O,O')bis(1,10-phenan-throline-N,N') cerium(III), Ce(NO~3~)~3~(C~12~H~8~N~2~)~2~
Lin, Qiu-Yue; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 531–532; doi:

data_8100456
_publ_section_title
;
Crystal structure of tris(nitrato-O,O')bis(1,10-phenan-throline-N,N')
cerium(III), Ce(NO~3~)~3~(C~12~H~8~N~2~)~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              531
_journal_page_last               532
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'Ce(C12H8N2)2(N O3)3'
_chemical_formula_sum            'C24 H16 Ce N7 O9'
_chemical_formula_weight         686.56
_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                 100.56(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.162(2)
_cell_length_b                   18.070(4)
_cell_length_c                   13.102(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2598.0(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.755
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100456
Crystal structure of diaqua-trans-dicinnamato-dihexamethylene-tetraminecobalt (II) dihydrate, Co(C~6~H~12~N~4~)~2~(C~9~H~7~O~2~)~2~(H~2~O)~2~ · 2H~2~O
Zhu, Hai-Liang; Shao, Si-Chang; Qiu, Xiao-Yang; Sun, Lin; Yang, Song; Ma, Ji-Long; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 513–514; doi:

data_8100457
_publ_section_title
;
Crystal structure of diaqua-trans-dicinnamato-dihexamethylene-tetraminecobalt
(II) dihydrate, Co(C~6~H~12~N~4~)~2~(C~9~H~7~O~2~)~2~(H~2~O)~2~ &#x00B7; 
2H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              513
_journal_page_last               514
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C30 H42 Co N8 O2, 2H2 O'
_chemical_formula_structural     'Co(C30 H42 N8 O2) &#x00B7; 2H2 O'
_chemical_formula_sum            'C30 H46 Co N8 O8'
_chemical_formula_weight         352.84
_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                 97.56(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.779(3)
_cell_length_b                   10.938(2)
_cell_length_c                   12.218(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1692.9(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.384
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C30 H46 Co1 N8 O8'
_cod_database_code               8100457
Crystal structure of bis(3,3'-diethyl-4-maleimido-phenyl)methane, C~25~H~22~N~2~O~4~
Zhu, Hai-Liang; Zhang, Hong; Ma, Ji-Long; Qiu, Xiao-Yang; Yang, Song; Sun, Lin; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 515–516; doi:

data_8100458
_publ_section_title
;
Crystal structure of bis(3,3'-diethyl-4-maleimido-phenyl)methane, 
C~25~H~22~N~2~O~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              515
_journal_page_last               516
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C25 H22 N2 O4'
_chemical_formula_sum            'C25 H22 N2 O4'
_chemical_formula_weight         414.45
_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                   12.7446(15)
_cell_length_b                   16.974(2)
_cell_length_c                   10.2180(12)
_cell_measurement_temperature    293(2)
_cell_volume                     2210.4(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.245
_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               8100458
Crystal structure of diaqua-dibenzoato-dihexamethylenetetraminenickel (II) dihydrate, Ni(C~6~H~12~N~4~)~2~(C~7~H~5~O~2~)~2~(H~2~O)~2~ · 2H~2~O
Zhu, Hai-Liang; Shao, Si-Chang; Yang, Song; Qiu, Xiao-Yang; Sun, Lin; Ma, Ji-Long; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 517–518; doi:

data_8100459
_publ_section_title
;
Crystal structure of diaqua-dibenzoato-dihexamethylenetetraminenickel
(II) dihydrate, Ni(C~6~H~12~N~4~)~2~(C~7~H~5~O~2~)~2~(H~2~O)~2~ &#x00B7; 
2H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              517
_journal_page_last               518
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C26 H42 N8 Ni O8'
_chemical_formula_sum            'C26 H42 N8 Ni O8'
_chemical_formula_weight         653.39
_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                 95.50(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.784(5)
_cell_length_b                   10.886(2)
_cell_length_c                   12.208(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3014.0(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.440
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C26 H42 N8 Ni1 O8'
_cod_database_code               8100459
Crystal structure of trans-diaqua-bis(salicylaldehydato-O,O')chromium (III) chloride, [Cr(C~7~H~5~O~2~)~2~(H~2~O)~2~]Cl
Zhu, Hai-Liang; Qu, Yang; You, Zhou-Lu; Tan, Min-Yu; Liu, Wei-Sheng; Ma, Ji-Long; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 519–520; doi:

data_8100460
_publ_section_title
;
Crystal structure of trans-diaqua-bis(salicylaldehydato-O,O')chromium
(III) chloride, [Cr(C~7~H~5~O~2~)~2~(H~2~O)~2~]Cl
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              519
_journal_page_last               520
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C14 H14 Cr O6, Cl'
_chemical_formula_sum            'C14 H14 Cl Cr O6'
_chemical_formula_weight         365.70
_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                 105.95(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.998(8)
_cell_length_b                   18.68(4)
_cell_length_c                   4.945(10)
_cell_measurement_temperature    298
_cell_volume                     799(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.519
_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        'C14 H14 Cl1 Cr1 O6'
_cod_database_code               8100460
Crystal structure of di(4-aminopyridine)silver(I) trifluoromethylsulfate, Ag(C~5~H~6~N~2~)~2~(CF~3~SO~3~)
Zhu, Hai-Liang; Zhang, Biao; Sun, Zhi-Yuan; Rong, Na-Na; Zhang, Min; Li, Yong; Fun, Hoong-Kun; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 521–522; doi:

data_8100461
_publ_section_title
;
Crystal structure of di(4-aminopyridine)silver(I) trifluoromethylsulfate, 
Ag(C~5~H~6~N~2~)~2~(CF~3~SO~3~)
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              521
_journal_page_last               522
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C F3 O3 S, C10 H12 Ag N4'
_chemical_formula_sum            'C11 H12 Ag F3 N4 O3 S'
_chemical_formula_weight         445.18
_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                 94.799(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.9007(13)
_cell_length_b                   11.106(2)
_cell_length_c                   20.958(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1600.5(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.847
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C11 H12 Ag1 F3 N4 O3 S1'
_cod_database_code               8100461