LMucko/crystallography-open-database huggingface dataset:
Crystal structure of 2,6-di[(2-ethyl)phenylamino]pyridine, C~21~H~23~N~3~
Polamo, M.; Lappalainen, K.; Hämäläinen, M.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 559–560; doi:

data_8100771
_publ_section_title
;
Crystal structure of 2,6-di[(2-ethyl)phenylamino]pyridine, C~21~H~23~N~3~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              559
_journal_page_last               560
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C21 H23 N3'
_chemical_formula_structural     'C21 H23 N3'
_chemical_formula_sum            'C21 H23 N3'
_chemical_formula_weight         318.43
_chemical_name_common            '2,6-di[(2-ethyl)phenylamino]pyridine '
_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                 90.59(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.461(5)
_cell_length_b                   7.703(6)
_cell_length_c                   24.416(13)
_cell_measurement_temperature    193(2)
_cell_volume                     1779(2)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.185
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100771
Crystal structure of bis(2,2'-bipyridine-N,N')-[1,10-phenanthroline- 5,6-dione]ruthenium(II) dihexafluorophosphate acetone solvate, [Ru (C~10~H~8~N~2~)~2~(C~12~H~6~N~2~O~2~)][PF~6~]~2~ · 1.75(CH~3~)~2~CO
Rusanova, Julia A.; Decurtins, Silvio; Rusanov, Eduard B.; Stoeckli-Evans, Helen; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 571–574; doi:

data_8100772
_publ_section_title
;
Crystal structure of bis(2,2'-bipyridine-N,N')-[1,10-phenanthroline-
5,6-dione]ruthenium(II) dihexafluorophosphate acetone solvate, [Ru
(C~10~H~8~N~2~)~2~(C~12~H~6~N~2~O~2~)][PF~6~]~2~ &#x00B7; 1.75(CH~3~)~2~CO
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              571
_journal_page_last               574
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C32 H22 F12 N6 O2 P2 RU, 1.75(C3 H6 O)'
_chemical_formula_structural
'[Ru(C10 H8 N2)2(C12 H6 N2 O2)][PF6]2.1.75(CH3)2CO'
_chemical_formula_sum            'C37.25 H32.5 F12 N6 O3.75 P2 Ru'
_chemical_formula_weight         1015.20
_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                 112.349(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.1988(6)
_cell_length_b                   54.679(3)
_cell_length_c                   13.1694(7)
_cell_measurement_temperature    153(2)
_cell_volume                     8124.4(7)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.660
_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        'C37.25 H32.50 F12 N6 O3.75 P2 Ru'
_cod_database_code               8100772
Crystal structure of η^6^-benzene(chloro)(N-[(S)-(‒)1-phenylethyl]- thiobenzamidato)ruthenium(II), (C~6~H~6~)Ru(C~15~H~14~NS)Cl
Brunner, H.; Zwack, Th; Zabel, M.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 551–553; doi:

data_8100773
_publ_section_title
;
Crystal structure of \h^6^-benzene(chloro)(N-[(S)-(--)1-phenylethyl]-
thiobenzamidato)ruthenium(II), (C~6~H~6~)Ru(C~15~H~14~NS)Cl
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              551
_journal_page_last               553
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C21 H20 Cl N Ru S'
_chemical_formula_structural     '(C6 H6 )Ru(C15 H14 NS)Cl'
_chemical_formula_sum            'C21 H20 Cl N Ru S'
_chemical_formula_weight         454.97
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   11.8187(5)
_cell_length_b                   16.1775(6)
_cell_length_c                   29.9927(14)
_cell_measurement_temperature    173(1)
_cell_volume                     5734.5(4)
_diffrn_ambient_temperature      173(1)
_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_original_sg_symbol_H-M      'P21 21 21'
_cod_original_formula_sum        'C21 H20 Cl1 N1 Ru1 S1'
_cod_database_code               8100773
Crystal structure of Z-5-(4-phenylbenzylidene)-2-methylthio-imidazoline- 4-one, C~17~H~14~N~2~OS
Karolak-Wojciechowska, Janina; Czylkowski, Robert; Kieć-Kononowicz, Katarzyna; Szymańska, Ewa; Dzierżawska, Agnieszka; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 581–582; doi:

data_8100774
_publ_section_title
;
Crystal structure of Z-5-(4-phenylbenzylidene)-2-methylthio-imidazoline-
4-one, C~17~H~14~N~2~OS
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              581
_journal_page_last               582
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C17 H14 N2 O S'
_chemical_formula_structural     'C17 H14 N2 O S'
_chemical_formula_sum            'C17 H14 N2 O S'
_chemical_formula_weight         294.36
_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                 97.94(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.029(2)
_cell_length_b                   5.4150(10)
_cell_length_c                   17.391(3)
_cell_measurement_temperature    293(2)
_cell_volume                     748.9(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.305
_refine_diff_density_rms         0.036
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C17 H14 N2 O1 S1'
_cod_database_code               8100774
Crystal structure of [(1R)-(+)-3-benzoyl-camphoryl-O,O'](cycloocta- 1,5-diene)rhodium(I), C~25~H~31~O~2~Rh
Spannenberg, Anke; Fdil, Naina; El Firdoussi, Larbi; Karim, Abdellah; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 549–550; doi:

data_8100775
_publ_section_title
;
Crystal structure of [(1R)-(+)-3-benzoyl-camphoryl-O,O'](cycloocta-
1,5-diene)rhodium(I), C~25~H~31~O~2~Rh
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              549
_journal_page_last               550
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C25 H31 O2 Rh'
_chemical_formula_sum            'C25 H31 O2 Rh'
_chemical_formula_weight         466.41
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                72.38(3)
_cell_angle_beta                 84.03(3)
_cell_angle_gamma                88.24(3)
_cell_formula_units_Z            1
_cell_length_a                   6.4060(10)
_cell_length_b                   8.532(2)
_cell_length_c                   10.226(2)
_cell_measurement_temperature    293(2)
_cell_volume                     529.8(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.462
_refine_ls_R_factor_obs          0.0328
_refine_ls_wR_factor_obs         0.0834
_cod_original_formula_sum        'C25 H31 O2 Rh1'
_cod_database_code               8100775
Crystal structure of [1,2-ethylene-1,1'-bis(η^5^-tetrahydroindenyl)] [hydroxytris(pentafluorophenyl)borato]titanium(III), C~38~H~24~BF~15~OTi
Spannenberg, Anke; Burlakov, V. V.; Arndt, Perdita; Baumann, W.; Shur, W. B.; Rosenthal, U.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 546–548; doi:

data_8100776
_publ_section_title
;
Crystal structure of [1,2-ethylene-1,1'-bis(\h^5^-tetrahydroindenyl)] 
[hydroxytris(pentafluorophenyl)borato]titanium(III), C~38~H~24~BF~15~OTi
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              546
_journal_page_last               548
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C38 H24 B F15 O Ti'
_chemical_formula_sum            'C38 H24 B F15 O Ti'
_chemical_formula_weight         840.28
_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                 94.47(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.584(2)
_cell_length_b                   17.976(4)
_cell_length_c                   21.964(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3378.9(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.652
_refine_ls_R_factor_obs          0.0394
_refine_ls_wR_factor_obs         0.0795
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C38 H24 B1 F15 O1 Ti'
_cod_database_code               8100776
Crystal structure of dimethyl (1R*,2R*,4S*,6S*,10S*,13S*,14S*)-1-bromo- 3,5-dioxapentacyclo[8.2.1.1^6,13^.0^4,6^.0^2,14^]tetradecane-13,14- dicarboxylate, C~12~H~13~BrO~2~(COOCH~3~)~2~
Peters, Karl; Neumann, Matthias; Tochtermann, Werner; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 575–576; doi:

data_8100777
_publ_section_title
;
Crystal structure of dimethyl (1R*,2R*,4S*,6S*,10S*,13S*,14S*)-1-bromo- 
3,5-dioxapentacyclo[8.2.1.1^6,13^.0^4,6^.0^2,14^]tetradecane-13,14-
dicarboxylate, C~12~H~13~BrO~2~(COOCH~3~)~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              575
_journal_page_last               576
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C12 H13 Br O2 (COOCH3)2'
_chemical_formula_sum            'C16 H19 Br O6'
_chemical_formula_weight         387.22
_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                 109.770(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.715(2)
_cell_length_b                   8.2770(10)
_cell_length_c                   14.6450(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1564.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.644
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C16 H19 Br1 O6'
_cod_database_code               8100777
Crystal structure of (2'R*,3'R*,4'R*,5'R*,6'R*)-1-(6'-hydroxy-5'-methoxy- 2',3',4',5'-tetrahydro-2',4'-heptanofuran-3'-yl)-5-methyl-(1H,3H)- pyrimidine-2,4-dione, [C~4~H~4~O(OCH~3~)(C~5~H~5~N~2~O~2~)](C~7~H~13~OH)
Peters, Karl; Taugerbeck, Andreas; Tochtermann, Werner; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 577–578; doi:

data_8100778
_publ_section_title
;
Crystal structure of (2'R*,3'R*,4'R*,5'R*,6'R*)-1-(6'-hydroxy-5'-methoxy-
2',3',4',5'-tetrahydro-2',4'-heptanofuran-3'-yl)-5-methyl-(1H,3H)-
pyrimidine-2,4-dione, [C~4~H~4~O(OCH~3~)(C~5~H~5~N~2~O~2~)](C~7~H~13~OH)
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              577
_journal_page_last               578
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     '[C4 H4 O(OCH3)(C5 H5 N2 O2)][C7 H13 OH]'
_chemical_formula_sum            'C17 H26 N2 O5'
_chemical_formula_weight         338.40
_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                 106.110(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4810(10)
_cell_length_b                   17.1580(10)
_cell_length_c                   10.5250(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1818.4(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.236
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100778
Crystal structure of di(3-aminopyridine)disalicylatocopper(II), C~24~H~22~CuN~4~O~6~
Zhu, L.-G.; Kitagawa, S.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 579–580; doi:

data_8100779
_publ_section_title
;
Crystal structure of di(3-aminopyridine)disalicylatocopper(II), 
C~24~H~22~CuN~4~O~6~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              579
_journal_page_last               580
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C12 H11 Cu0.50 N2 O3 '
_chemical_formula_structural     'C24 H22 Cu N4 O6'
_chemical_formula_sum            'C24 H22 Cu N4 O6'
_chemical_formula_weight         263.00
_chemical_name_systematic
;
di(3-aminopyridine)di(salicylate)copper(II)
;
_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
_cell_angle_beta                 95.7579(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.364(2)
_cell_length_b                   6.455(1)
_cell_length_c                   24.3816(7)
_cell_measurement_temperature    296.2
_cell_volume                     1153.1(3)
_exptl_crystal_density_diffrn    1.515
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C24 H22 Cu1 N4 O6'
_cod_database_code               8100779
Crystal structure of (13S*,13aR*)-2,3-dimethoxy-13-hydroxy-13a-methyl- 8-oxo-5,6,13,13a-tetrahydro-8H-dibenzo[a,g]quinolizine, C~20~H~21~NO~4~
Liu, L.; Warrener, R. N.; Russell, R. A.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 583–584; doi:

data_8100780
_publ_section_title
;
Crystal structure of (13S*,13aR*)-2,3-dimethoxy-13-hydroxy-13a-methyl-
8-oxo-5,6,13,13a-tetrahydro-8H-dibenzo[a,g]quinolizine, C~20~H~21~NO~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              583
_journal_page_last               584
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C20 H21 N O4'
_chemical_formula_structural     ' C20 H21 N O4 '
_chemical_formula_sum            'C20 H21 N O4'
_chemical_formula_weight         339.39
_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
_cell_angle_beta                 95.57(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.521(2)
_cell_length_b                   23.257(2)
_cell_length_c                   9.784(2)
_cell_measurement_temperature    293
_cell_volume                     1703.3(5)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.323
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C20 H21 N1 O4'
_cod_database_code               8100780
Crystal structure of (3S*,4S*)-4-hydroxy-2-(2'-methoxyethyl)-3-phenyl- 3,4-dihydroisoquinol-1(2H)-one, C~18~H~19~NO~3~
Liu, L.; Warrener, R. N.; Russell, R. A.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 585–586; doi:

data_8100781
_publ_section_title
;
Crystal structure of (3S*,4S*)-4-hydroxy-2-(2'-methoxyethyl)-3-phenyl-
3,4-dihydroisoquinol-1(2H)-one, C~18~H~19~NO~3~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              585
_journal_page_last               586
_journal_volume                  217
_journal_year                    2002
_chemical_formula_analytical     'C18 H19 N O3 '
_chemical_formula_structural     ' C18 H19 N O3 '
_chemical_formula_sum            'C18 H19 N O3'
_chemical_formula_weight         297.35
_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
_cell_angle_beta                 104.85(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.454(6)
_cell_length_b                   13.123(3)
_cell_length_c                   14.698(3)
_cell_measurement_temperature    293
_cell_volume                     1576(1)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.253
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C18 H19 N1 O3 '
_cod_database_code               8100781
Crystal structure of μ~3~-bromo-2:3:4κ^3^Br-oxo-1κO- tri-μ~3~-sulfido-1:2:3κ^3^S;1:2:4κ^3^S;-1:3:4κ ^3^S-tris(triphenylphosphine)-2κP;3κP;4κP;-tricopper molybdenum—quinoline (2:1), {MoOS~3~Cu~3~Br[P(C~6~H~5~)~3~]~3~} · 0.5C~9~H~7~N
Jin, Qiong-Hua; Zheng, He-Gen; Yu, Kai-Bei; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 612–614; doi:

data_8100782
_publ_section_title
;
Crystal structure of \m~3~-bromo-2:3:4\k^3^Br-oxo-1\kO-
tri-\m~3~-sulfido-1:2:3\k^3^S;1:2:4\k^3^S;-1:3:4\k
^3^S-tris(triphenylphosphine)-2\kP;3\kP;4\kP;-tricopper 
molybdenum---quinoline (2:1), {MoOS~3~Cu~3~Br[P(C~6~H~5~)~3~]~3~} 
&#x00B7; 0.5C~9~H~7~N
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              612
_journal_page_last               614
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     '[MoOS3 Cu3 Br(P(C6H5)3)3] . 0.5C9 H7 N'
_chemical_formula_sum            'C58.5 H48.5 Br Cu3 Mo N0.5 O P3 S3'
_chemical_formula_weight         1330.04
_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                76.23(2)
_cell_angle_beta                 86.08(2)
_cell_angle_gamma                65.17(2)
_cell_formula_units_Z            2
_cell_length_a                   11.808(2)
_cell_length_b                   13.108(3)
_cell_length_c                   20.402(4)
_cell_measurement_temperature    295(2)
_cell_volume                     2781.7(10)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.588
_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.

'_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 (19 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C58.50 H48.50 Br1 Cu3 Mo1 N0.50 O1 P3 S3'
_cod_database_code               8100782
Refinement of the crystal structure of bis[(di-n-propyldithiocarbamato) gold(I)], C~7~H~14~AuNS~2~
Ho, S. Y.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 589–590; doi:

data_8100783
_publ_section_title
;
Refinement of the crystal structure of bis[(di-n-propyldithiocarbamato)
gold(I)], C~7~H~14~AuNS~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              589
_journal_page_last               590
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C7 H14 Au1 N1 S2'
_chemical_formula_sum            'C7 H14 Au N S2'
_chemical_formula_weight         373.28
_space_group_IT_number           117
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P -4 -2ab'
_symmetry_space_group_name_H-M   'P -4 b 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.1178(7)
_cell_length_b                   13.1178
_cell_length_c                   6.0819(6)
_cell_measurement_temperature    183(2)
_cell_volume                     1046.55(12)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    2.369
_cod_original_formula_sum        'C7 H14 Au1 N1 S2'
_cod_database_code               8100783
Crystal structure of chloro[tris(2-furyl)phosphine]gold(I), (C~4~H~3~O) ~3~PAuCl
Ho, S. Y.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 591–592; doi:

data_8100784
_publ_section_title
;
Crystal structure of chloro[tris(2-furyl)phosphine]gold(I), (C~4~H~3~O)
~3~PAuCl
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              591
_journal_page_last               592
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C12 H9 Au Cl O3 P'
_chemical_formula_sum            'C12 H9 Au Cl O3 P'
_chemical_formula_weight         464.58
_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
_cell_angle_beta                 92.155(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7480(14)
_cell_length_b                   12.4799(17)
_cell_length_c                   11.1389(15)
_cell_measurement_temperature    183(2)
_cell_volume                     1354.1(3)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    2.279
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C12 H9 Au1 Cl1 O3 P1'
_cod_database_code               8100784