LMucko/crystallography-open-database huggingface dataset:
Crystal structure of 2'-O-(4-methoxy-tetrahydropyran-4-yl)-uridine trihydrate, C~15~H~22~N~2~O~8~ · 3H~2~O
Van Meervelt, Luc; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 437–438; doi:

data_8100201
_publ_section_title
;
Crystal structure of 2'-O-(4-methoxy-tetrahydropyran-4-yl)-uridine 
trihydrate, C~15~H~22~N~2~O~8~ &#x00B7; 3H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              437
_journal_page_last               438
_journal_volume                  219
_journal_year                    2004
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C15H22N2O8 &#x00B7; 3H2O'
_chemical_formula_sum            'C15 H28 N2 O11'
_chemical_formula_weight         412.39
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_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                   7.097(4)
_cell_length_b                   9.490(6)
_cell_length_c                   28.687(6)
_cell_measurement_temperature    289(2)
_cell_volume                     1932.1(17)
_diffrn_ambient_temperature      289(2)
_exptl_crystal_density_diffrn    1.418
_cod_database_code               8100201
Crystal structure of [bis(2-benzimidazolylmethyl)(2-benzimidazoliummethyl)] amine 3-nitrobenzoate 3-nitrobenzoic acid, (C~24~H~22~N~7~)(C~7~H~4~NO~4~) (C~7~H~5~NO~4~)
Ji, Bao-Ming; Jian, Fang-Fang; Sun, Ping-Ping; Du, Chen-Xia; Ding, Kui-Ling; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 466–468; doi:

data_8100202
_publ_section_title
;
Crystal structure of [bis(2-benzimidazolylmethyl)(2-benzimidazoliummethyl)]
amine 3-nitrobenzoate 3-nitrobenzoic acid, (C~24~H~22~N~7~)(C~7~H~4~NO~4~)
(C~7~H~5~NO~4~)
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              466
_journal_page_last               468
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C38 H31 N9 O8'
_chemical_formula_weight         741.72
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.230(2)
_cell_angle_beta                 100.087(2)
_cell_angle_gamma                114.9190(10)
_cell_formula_units_Z            2
_cell_length_a                   12.2678(10)
_cell_length_b                   12.4912(10)
_cell_length_c                   13.3483(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1816.0(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.356
_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               8100202
Crystal structure of tetraaquatetrakis(1,10-phenanthroline)bis(μ- 1,1'-biphenyl-2,2'-dicarboxylato)dilanthanum(III) dichloride tetrahydrate, [La~2~(H~2~O)~4~(C~12~H~8~N~2~) ~4~(C~14~H~8~O~4~)~2~]Cl~2~ · 4H~2~O
Hu, Mao-Lin; Miao, Qian; Shi, Qian; Cheng, Ya-Qian; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 442–444; doi:

data_8100203
_publ_section_title
;
Crystal structure of tetraaquatetrakis(1,10-phenanthroline)bis(\m-
1,1'-biphenyl-2,2'-dicarboxylato)dilanthanum(III) dichloride tetrahydrate, 
[La~2~(H~2~O)~4~(C~12~H~8~N~2~) ~4~(C~14~H~8~O~4~)~2~]Cl~2~ &#x00B7; 4H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              442
_journal_page_last               444
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C76 H56 La2 N8 O12, 4(H2 O), 2Cl'
_chemical_formula_sum            'C76 H64 Cl2 La2 N8 O16'
_chemical_formula_weight         1694.07
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                93.9240(10)
_cell_angle_beta                 104.6030(10)
_cell_angle_gamma                96.1910(10)
_cell_formula_units_Z            1
_cell_length_a                   10.8310(8)
_cell_length_b                   13.2391(10)
_cell_length_c                   13.2526(10)
_cell_measurement_temperature    298(2)
_cell_volume                     1819.2(2)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.546
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-07

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               8100203
Crystal structure of bis[aqua-dimethylformamide-(salicylaldehyde-2- hydroxy-3-naphthoylhydrazonato)nickel(II)] dimethylformamide disolvate monohydrate, [Ni(H~2~O)(C~3~H~7~NO)(C~18~H~12~N~2~O~3~)]~2~ · 2C~3~H~7~NO · H~2~O
Tai, Xi-Shi; Wang, L.-H.; Li, Yi-Zhi; Tan, Min-Yu; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 445–447; doi:

data_8100204
_publ_section_title
;
Crystal structure of bis[aqua-dimethylformamide-(salicylaldehyde-2-
hydroxy-3-naphthoylhydrazonato)nickel(II)] dimethylformamide disolvate 
monohydrate, [Ni(H~2~O)(C~3~H~7~NO)(C~18~H~12~N~2~O~3~)]~2~ &#x00B7; 
2C~3~H~7~NO &#x00B7; H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              445
_journal_page_last               447
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C42 H42 N6 Ni2 O10, 2(C3 H7 N O), H2 O'
_chemical_formula_sum            'C48 H58 N8 Ni2 O13'
_chemical_formula_weight         1072.44
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.98(1)
_cell_angle_beta                 106.90(1)
_cell_angle_gamma                92.66(1)
_cell_formula_units_Z            2
_cell_length_a                   13.830(2)
_cell_length_b                   13.878(2)
_cell_length_c                   14.304(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2552.9(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.395
_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               8100204
Crystal structure of 3-cyano-3-phenylsulfonyl-2-methoxycarbonylethene- 1-phenylcyclopropane, C~20~H~17~NO~4~S
Itoh, Kuniaki; Iwata, Shine; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 455–456; doi:

data_8100205
_publ_section_title
;
Crystal structure of 3-cyano-3-phenylsulfonyl-2-methoxycarbonylethene-
1-phenylcyclopropane, C~20~H~17~NO~4~S
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              455
_journal_page_last               456
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C20 H17 N O4 S'
_chemical_formula_weight         367.41
_chemical_melting_point          442.6(5)
_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                   17.354(4)
_cell_length_b                   8.8651(18)
_cell_length_c                   24.388(5)
_cell_measurement_temperature    193(2)
_cell_volume                     3752.1(13)
_diffrn_ambient_temperature      566(2)
_exptl_crystal_density_diffrn    1.301
_exptl_crystal_density_meas      1.31
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '169-170 \%C' was changed to
'442.6(5)' - it was converted from degrees Celsius(C) to Kelvins(K),
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               8100205
Crystal structure of {(S)-N-[2-(N-benzylprolyl)aminobenzophenone]- [(2S,3R)-3-N-[(4-methoxycarbonyl)phenylamine]-3-phenylpropanoic acid- O,N,N',N"]}nickel(II), Ni(C~42~H~38~N~4~O~5~)
Uytterhoeven, Koen; Soloshonok, Vadim; Van Meervelt, Luc; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 453–454; doi:

data_8100206
_publ_section_title
;
Crystal structure of {(S)-N-[2-(N-benzylprolyl)aminobenzophenone]-
[(2S,3R)-3-N-[(4-methoxycarbonyl)phenylamine]-3-phenylpropanoic acid-
O,N,N',N"]}nickel(II), Ni(C~42~H~38~N~4~O~5~)
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              453
_journal_page_last               454
_journal_volume                  219
_journal_year                    2004
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C42 H38 N4 Ni O5'
_chemical_formula_sum            'C42 H38 N4 Ni O5'
_chemical_formula_weight         737.47
_chemical_melting_point          219.0(10)
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_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                   8.435(4)
_cell_length_b                   10.743(3)
_cell_length_c                   39.659(8)
_cell_measurement_temperature    289(2)
_cell_volume                     3594(2)
_diffrn_ambient_temperature      289(2)
_exptl_crystal_density_diffrn    1.363
_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 

The following automatic conversions were performed:

'_chemical_melting_point' value '218-220' was changed to '219.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               8100206
Crystal structure of tetrakis(acetonitrile)silver(I) tetrafluoroborate, [Ag(C~2~H~3~N)~4~][BF~4~]
Aly, Aref A. M.; Walfort, Bernhard; Lang, Heinrich; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 489–491; doi:

data_8100207
_publ_section_title
;
Crystal structure of tetrakis(acetonitrile)silver(I) tetrafluoroborate, 
[Ag(C~2~H~3~N)~4~][BF~4~]
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              489
_journal_page_last               491
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C8 H12 Ag B F4 N4'
_chemical_formula_sum            'C8 H12 Ag B F4 N4'
_chemical_formula_weight         358.90
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   24.249(5)
_cell_length_b                   8.608(2)
_cell_length_c                   20.640(4)
_cell_measurement_temperature    178(2)
_cell_volume                     4307.9(15)
_diffrn_ambient_temperature      178(2)
_exptl_crystal_density_diffrn    1.660
_cod_database_code               8100207
Refinement of the crystal structure of diaquabis(μ-succinato) dicopper(II) dihydrate, Cu~2~(H~2~O)~2~(C~4~H~4~O~4~)~2~ · 2H~2~O
Djeghri, Assia; Balegroune, Fadila; Guehria-Laidoudi, Achoura; Roisnel, Thierry; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 471–472; doi:

data_8100208
_publ_section_title
;
Refinement of the crystal structure of diaquabis(\m-succinato)
dicopper(II) dihydrate, Cu~2~(H~2~O)~2~(C~4~H~4~O~4~)~2~ &#x00B7; 2H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              471
_journal_page_last               472
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C4 H8 Cu O6'
_chemical_formula_sum            'C4 H8 Cu O6'
_chemical_formula_weight         215.64
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.134(3)
_cell_angle_beta                 73.456(3)
_cell_angle_gamma                81.476(3)
_cell_formula_units_Z            2
_cell_length_a                   6.4367(2)
_cell_length_b                   7.6230(4)
_cell_length_c                   8.0846(4)
_cell_measurement_temperature    293(2)
_cell_volume                     367.82(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.947
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8100208
Crystal structure of 3,3,4,4,5,5-hexafluoro-1,2-bis{5- [2-(1,3-dithiocyclopentyl)]-2-methyl-3-thienyl}-cyclopent-1-ene, C~21~H~18~F~6~S~6~
Pu, Shou-Zhi; Shen, Liang; Xu, Jin-Kun; Wang, Ru-Ji; Xiao, Qiang; Liu, Gan; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 473–474; doi:

data_8100209
_publ_section_title
;
Crystal structure of 3,3,4,4,5,5-hexafluoro-1,2-bis{5-
[2-(1,3-dithiocyclopentyl)]-2-methyl-3-thienyl}-cyclopent-1-ene, 
C~21~H~18~F~6~S~6~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              473
_journal_page_last               474
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C21 H18 F6 S6'
_chemical_formula_sum            'C21 H18 F6 S6'
_chemical_formula_weight         576.71
_chemical_melting_point          103
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                112.750(11)
_cell_angle_beta                 100.612(10)
_cell_angle_gamma                105.477(11)
_cell_formula_units_Z            2
_cell_length_a                   10.7626(15)
_cell_length_b                   10.8709(16)
_cell_length_c                   12.6181(15)
_cell_measurement_temperature    293(2)
_cell_volume                     1241.6(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.543
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8100209
Crystal structure of bis(4-chloroanilinium) tetraiodoplumbate(II), (ClC~6~H~4~NH~3~)~2~PbI~4~
Liu, Zhi; Yu, Wen-Tao; Tao, Xu-Tang; Jiang, Min-Hua; Yang, J.-X.; Wang, L.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 457–458; doi:

data_8100210
_publ_section_title
;
Crystal structure of bis(4-chloroanilinium) tetraiodoplumbate(II), 
(ClC~6~H~4~NH~3~)~2~PbI~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              457
_journal_page_last               458
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         (ClC6H4NH3)2PbI4
_chemical_formula_sum            'C12 H14 Cl2 I4 N2 Pb'
_chemical_formula_weight         971.94
_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                 100.002(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.4438(13)
_cell_length_b                   8.1786(7)
_cell_length_c                   9.0478(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1125.45(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.868
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100210
Crystal structure of tribenzyltin(IV) hydroxide, (C~7~H~7~)~3~SnOH
Reuter, Hans; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 487–488; doi:

data_8100211
_publ_section_title
;
Crystal structure of tribenzyltin(IV) hydroxide, (C~7~H~7~)~3~SnOH
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              487
_journal_page_last               488
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         (C~3~H~7~)~3~Sn(OH)
_chemical_formula_structural     Bzl~3~SnOH
_chemical_formula_sum            'C21 H22 O Sn'
_chemical_formula_weight         409.08
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_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                   8.529(2)
_cell_length_b                   10.799(1)
_cell_length_c                   19.661(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1810.8(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.501
_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               8100211
Crystal structure of 2-propyl-1H-pyrrolo-[2,3-b]pyridine, C~10~H~12~N~2~
Huang, Xiang-Hong; Zhang, Qian-Feng; Sung, Herman H. Y.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 451–452; doi:10.1524/ncrs.2004.219.14.483

data_8100212
_publ_section_title
;
Crystal structure of 2-propyl-1H-pyrrolo-[2,3-b]pyridine, C~10~H~12~N~2~
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              451
_journal_page_last               452
_journal_paper_doi               10.1524/ncrs.2004.219.14.483
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C10 H12 N2'
_chemical_formula_weight         160.22
_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                76.891(2)
_cell_angle_beta                 89.395(2)
_cell_angle_gamma                82.459(2)
_cell_formula_units_Z            2
_cell_length_a                   5.5503(7)
_cell_length_b                   7.9255(10)
_cell_length_c                   9.9922(13)
_cell_measurement_temperature    100(2)
_cell_volume                     424.31(9)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.254
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2020-10-02

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               8100212
Crystal structure of diaquabis(aspirinato)cadmium(II), Cd(H~2~O)~2~ (C~9~H~9~O~5~)~2~
Viossat, B.; Nguyen-Huy, D.; Morgant, G.; Greenaway, F. T. G.; Sorenson, J. R. J.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 475–476; doi:

data_8100213
_publ_section_title
;
Crystal structure of diaquabis(aspirinato)cadmium(II), Cd(H~2~O)~2~
(C~9~H~9~O~5~)~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              475
_journal_page_last               476
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C18 H18 Cd1 O10'
_chemical_formula_sum            'C18 H18 Cd O10'
_chemical_formula_weight         506.74
_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                90.0
_cell_angle_beta                 106.46(4)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   25.971(6)
_cell_length_b                   7.369(2)
_cell_length_c                   10.752(5)
_cell_measurement_temperature    293
_cell_volume                     1973.4(12)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.706
_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        'C18 H18 Cd1 O10'
_cod_database_code               8100213