LMucko/crystallography-open-database huggingface dataset:
Crystal structure of catena-poly[(diaqua(3-methoxy-benzato-O,O')europium- bis-μ-3-methoxy-benzato-O,O':O'-diaqua(3-methoxybenzato-O,O') europium-bis-μ-3-methoxybenzato-O,O':O'], C~24~H~25~EuO~11~
Li, Xia; Jin, Qiong-Hua; Zou, Ying-Quan; Yu, Kai-Bei; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 285–286; doi:

data_8100954
_publ_section_title
;
Crystal structure of catena-poly[(diaqua(3-methoxy-benzato-O,O')europium-
bis-\m-3-methoxy-benzato-O,O':O'-diaqua(3-methoxybenzato-O,O')
europium-bis-\m-3-methoxybenzato-O,O':O'], C~24~H~25~EuO~11~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              285
_journal_page_last               286
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C24 H25 Eu O11'
_chemical_formula_sum            'C24 H25 Eu O11'
_chemical_formula_weight         641.40
_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                 95.080(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.7580(10)
_cell_length_b                   12.0970(10)
_cell_length_c                   21.381(4)
_cell_measurement_temperature    296(2)
_cell_volume                     2514.0(6)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.695
_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.

'_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 (10 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100954
Crystal structure of diaqua-(2,2'-bipyridine)-bis-μ~2~-squarato (1,2)-copper(II) dihydrate, [Cu(C~10~H~8~N~2~)(C~4~O~4~)(H~2~O)~2~] · 2H~2~O
Krupicka, Erik; Lentz, Axel; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 287–288; doi:

data_8100955
_publ_section_title
;
Crystal structure of diaqua-(2,2'-bipyridine)-bis-\m~2~-squarato
(1,2)-copper(II) dihydrate, [Cu(C~10~H~8~N~2~)(C~4~O~4~)(H~2~O)~2~] 
&#x00B7; 2H~2~O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              287
_journal_page_last               288
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         '(Cu 2+), (C10 H8 N2), (C4 O4 2-), 4(H2 O)'
_chemical_formula_structural     '[Cu(C10H8N2)(C4O4)(H2O)2](H2O)2'
_chemical_formula_sum            'C14 H16 Cu N2 O8'
_chemical_formula_weight         403.83
_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                 100.81(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.461(3)
_cell_length_b                   7.7829(12)
_cell_length_c                   19.295(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1690.6(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.587
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100955
Crystal structure of (1R,3R)-8-benzyloxy-N-benzyl-6-hydroxy-1,3-dimethyl- 1,2,3,4-tetrahydroisoquinoline hydrobromide, C~9~H~6~N(CH~3~)~2~(CH~2~C~6~H~5~) (OH)(OCH~2~C~6~H~5~) · HBr
Peters, Eva-Maria; Peters, Karl; Walter, Rainer; Stäblein, Manuela; Bringmann, Gerhard; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 223–224; doi:

data_8100956
_publ_section_title
;
Crystal structure of (1R,3R)-8-benzyloxy-N-benzyl-6-hydroxy-1,3-dimethyl-
1,2,3,4-tetrahydroisoquinoline hydrobromide, C~9~H~6~N(CH~3~)~2~(CH~2~C~6~H~5~)
(OH)(OCH~2~C~6~H~5~) &#x00B7; HBr
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              223
_journal_page_last               224
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural
'C9 H6 N(CH3)2 (CH2 C6 H5)(OH)(OCH2 C6 H5) x HBr'
_chemical_formula_sum            'C25 H28 Br N O2'
_chemical_formula_weight         454.39
_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                 105.72(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.690(2)
_cell_length_b                   7.751(2)
_cell_length_c                   12.698(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1107.5(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.363
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8100956
Crystal structure of 7-deacetylazorellanol, C~20~H~34~O~2~ , a deterpenoid from Azorella Compacta
Loyola, Luis Alberto; Bórquez, Jorge; Galdámez, Antonio; Manríquez, Víctor; San-Martín, Aurelio; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 291–292; doi:

data_8100957
_publ_section_title
;
Crystal structure of 7-deacetylazorellanol, C~20~H~34~O~2~ , a deterpenoid 
from Azorella Compacta
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              291
_journal_page_last               292
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C20 H34 O2'
_chemical_formula_sum            'C20 H34 O2'
_chemical_formula_weight         306.47
_space_group_IT_number           21
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2 2'
_symmetry_space_group_name_H-M   'C 2 2 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.885(3)
_cell_length_b                   17.168(3)
_cell_length_c                   13.920(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3796.2(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.072
_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               8100957
Crystal structure of tris[oxo-bis(2,4-pentanedionato)tin(IV)], [SnO (acac)~2~]~3~
Verdenelli, Martine; Parola, Stephane; Lecoq, Sylvain; Hubert-Pfalzgraf, Liliane G.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 295–296; doi:

data_8100958
_publ_section_title
;
Crystal structure of tris[oxo-bis(2,4-pentanedionato)tin(IV)], [SnO
(acac)~2~]~3~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              295
_journal_page_last               296
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C10 H16 O5 Sn '
_chemical_formula_structural     'Sn3 O3 (acac)6'
_chemical_formula_sum            'C10 H16 O5 Sn'
_chemical_formula_weight         745.687
_space_group_IT_number           163
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_cell_angle_alpha                90.000(10)
_cell_angle_beta                 90.000(10)
_cell_angle_gamma                120.000(10)
_cell_formula_units_Z            12
_cell_length_a                   14.0730(10)
_cell_length_b                   14.0730(10)
_cell_length_c                   32.5190(10)
_cell_measurement_temperature    298
_cell_volume                     5577.1(6)
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    2.664
_cod_depositor_comments
;
 Correcting the type of atom 'C4' by changing it from 'O' to 'C'.

 Antanas Vaitkus,
 2017-09-10

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' 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 H16 O5 Sn '
_cod_database_code               8100958
Crystal structure of (3R,5R)-(+)-3-methyl-1-oxa-spiro[4.10]pentadec- 9-en-2,6-dione, (OCOCHCH~3~CH~2~)(C)(COC~9~H~16~)
Peters, Eva-Maria; Peters, Karl; Seyberlich, Birgit; Tochtermann, Werner; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 225–226; doi:

data_8100959
_publ_section_title
;
Crystal structure of (3R,5R)-(+)-3-methyl-1-oxa-spiro[4.10]pentadec-
9-en-2,6-dione, (OCOCHCH~3~CH~2~)(C)(COC~9~H~16~)
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              225
_journal_page_last               226
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'OCOCCH3 CH2)(C)(COC9 H16)'
_chemical_formula_sum            'C15 H22 O3'
_chemical_formula_weight         250.33
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.1150(10)
_cell_length_b                   8.7060(10)
_cell_length_c                   19.989(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1412.2(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.177
_cod_database_code               8100959
Crystal structure of piperazine bis(aquapentafluorotitanate), (C~4~H~12~N~2~) [TiF~5~(H~2~O)]~2~
Tang, L.Q.; Dadachov, M.; Zou, X.D.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 259–260; doi:

data_8100960
_publ_section_title
;
Crystal structure of piperazine bis(aquapentafluorotitanate), (C~4~H~12~N~2~)
[TiF~5~(H~2~O)]~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              259
_journal_page_last               260
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     '(C4 H12 N2)[TiF5 (H2 O)]2'
_chemical_formula_sum            'C2 H8 F5 N O Ti'
_chemical_formula_weight         204.99
_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                67.78(3)
_cell_angle_beta                 74.52(3)
_cell_angle_gamma                83.30(3)
_cell_formula_units_Z            2
_cell_length_a                   5.8392(16)
_cell_length_b                   7.221(2)
_cell_length_c                   8.692(3)
_cell_measurement_temperature    293(2)
_cell_volume                     326.90(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.083
_cod_database_code               8100960
Crystal structure of 1,3-diisopropyl-4,5-dimethylimidazolium tetramethoxyborate, [C~11~H~21~N~2~][B(OCH~3~)~4~]
Kuhn, N.; Steimann, M.; Weyers, G.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 315–317; doi:

data_8100961
_publ_section_title
;
Crystal structure of 1,3-diisopropyl-4,5-dimethylimidazolium 
tetramethoxyborate, [C~11~H~21~N~2~][B(OCH~3~)~4~]
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              315
_journal_page_last               317
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     '[C11 H21 N2][B(OC H3 )4'
_chemical_formula_sum            'C30 H66 B2 N4 O8'
_chemical_formula_weight         632.49
_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                61.373(11)
_cell_angle_beta                 85.730(17)
_cell_angle_gamma                84.884(14)
_cell_formula_units_Z            2
_cell_length_a                   8.4173(14)
_cell_length_b                   15.849(4)
_cell_length_c                   16.387(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1909.9(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.750
_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               8100961
Crystal structure of 4,5-diisopropylimidazole, (C~3~H~7~)~2~C~3~N~2~H~2~
Norbert, Kuhn; Manfred, Steimann; Michael, Walker; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 318–318; doi:

data_8100962
_publ_section_title
;
Crystal structure of 4,5-diisopropylimidazole, (C~3~H~7~)~2~C~3~N~2~H~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              318
_journal_page_last               318
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C9 H16 N2'
_chemical_formula_weight         152.24
_space_group_IT_number           96
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.692(2)
_cell_length_b                   9.692(2)
_cell_length_c                   9.829(5)
_cell_measurement_temperature    173(2)
_cell_volume                     923.3(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.095
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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               8100962
Crystal structure of 2,3-bis(O,O'dimethylphenyl)-iminobutane, [C~6~H~3~ (CH~3~)~2~]~2~C~2~N~2~(CH~3~)~2~
Kuhn, N.; Steimann, M.; Walker, I.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 319–319; doi:

data_8100963
_publ_section_title
;
Crystal structure of 2,3-bis(O,O'dimethylphenyl)-iminobutane, [C~6~H~3~
(CH~3~)~2~]~2~C~2~N~2~(CH~3~)~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              319
_journal_page_last               319
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C20 H24 N2'
_chemical_formula_sum            'C20 H24 N2'
_chemical_formula_weight         292.41
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.075(11)
_cell_angle_beta                 87.729(12)
_cell_angle_gamma                69.156(14)
_cell_formula_units_Z            1
_cell_length_a                   7.6568(14)
_cell_length_b                   7.8134(12)
_cell_length_c                   8.1308(11)
_cell_measurement_temperature    293(2)
_cell_volume                     433.79(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.119
_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               8100963
Crystal structure of 2'-methoxyphenyl-2-ethylsulfonyl acetate, C~11~H~14~O~5~S
Zukerman-Schpector, J.; Olivato, Paulo R.; Yreijo, Marcelo H.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 297–298; doi:

data_8100964
_publ_section_title
;
Crystal structure of 2'-methoxyphenyl-2-ethylsulfonyl acetate, C~11~H~14~O~5~S
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              297
_journal_page_last               298
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C11 H14 O5 S'
_chemical_formula_sum            'C11 H14 O5 S'
_chemical_formula_weight         258.28
_chemical_melting_point          244.5(15)
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.304(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.3068(9)
_cell_length_b                   7.9660(10)
_cell_length_c                   18.599(3)
_cell_volume                     1223.3(3)
_diffrn_ambient_temperature      291(1)
_exptl_crystal_density_diffrn    1.402
_refine_ls_R_factor_obs          0.0534
_refine_ls_wR_factor_obs         0.1259
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '243-246' was changed to '244.5(15)'
- 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_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100964
Crystal structure of tetrakis-dibutylammonium hexathiodigermanate (IV), [(C~4~H~9~)~2~NH~2~]~4~[Ge~2~S~6~]
Peters, Eva-Maria; Peters, Karl; Seyberlich, Birgit; Tochtermann, Werner; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 215–220; doi:

data_8100965
_publ_section_title
;
Crystal structure of tetrakis-dibutylammonium hexathiodigermanate
(IV), [(C~4~H~9~)~2~NH~2~]~4~[Ge~2~S~6~]
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              215
_journal_page_last               220
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     '(CHCOC6 H12 COC2 H3 OOC)(C6 H12)'
_chemical_formula_sum            'C18 H28 O4'
_chemical_formula_weight         308.40
_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                 100.51(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.360(2)
_cell_length_b                   18.487(2)
_cell_length_c                   10.836(1)
_cell_measurement_temperature    293(2)
_cell_volume                     3419.3(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.198
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100965
Crystal structure of 1,2-vinylen-bis(triphenylphosphonium) bis(boron tetrafluoride), [Ph~3~P-CH=CH-PPh~3~][BF~4~]~2~
Blachnik, Roger; Reuter, Hans; Roth, Georg; Wiest, Thomas; Eickmeier, Henning; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 209–210; doi:

data_8100966
_publ_section_title
;
Crystal structure of 1,2-vinylen-bis(triphenylphosphonium) bis(boron 
tetrafluoride), [Ph~3~P-CH=CH-PPh~3~][BF~4~]~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              209
_journal_page_last               210
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     '[Ph3 P - C H = C H-P Ph3][B F4]'
_chemical_formula_sum            'C38 H32 B2 F8 P2'
_chemical_formula_weight         724.20
_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                68.22(3)
_cell_angle_beta                 79.16(3)
_cell_angle_gamma                87.87(3)
_cell_formula_units_Z            1
_cell_length_a                   8.130(2)
_cell_length_b                   10.473(2)
_cell_length_c                   11.143(2)
_cell_measurement_temperature    293(2)
_cell_volume                     864.8(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.391
_cod_database_code               8100966
Crystal structure of bis(4-methylimidizide)bis(4-methylimidizole)- gold(III)‒methanol (1/2), {[(CH~3~)C~3~N~2~H~2~]~2~[(CH~3~)C~3~N~2~H~3~] ~2~Au} · 2CH~3~OH
Staples, R. J.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 311–312; doi:

data_8100967
_publ_section_title
;
Crystal structure of bis(4-methylimidizide)bis(4-methylimidizole)-
gold(III)--methanol (1/2), {[(CH~3~)C~3~N~2~H~2~]~2~[(CH~3~)C~3~N~2~H~3~]
~2~Au} &#x00B7; 2CH~3~OH
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              311
_journal_page_last               312
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C18 H30 Au Cl N8 O2'
_chemical_formula_weight         622.92
_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                 110.805(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.094(3)
_cell_length_b                   13.633(3)
_cell_length_c                   13.235(2)
_cell_measurement_temperature    213(2)
_cell_volume                     2377.2(8)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    1.740
_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               8100967