LMucko/crystallography-open-database huggingface dataset:
Vito Capriati; Saverio Florio; Renzo Luisi; Filippo Maria Perna; José Barluenga; Journal of Organic Chemistry 70 (2005) 5852–5858; doi:10.1021/jo050443r

data_4020376
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5852
_journal_page_last               5858
_journal_paper_doi               10.1021/jo050443r
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C29 H22 O7 W'
_chemical_formula_weight         666.32
_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                 99.7180(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.5120(2)
_cell_length_b                   12.1970(2)
_cell_length_c                   26.8530(4)
_cell_measurement_temperature    293(2)
_cell_volume                     5330.51(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.661
_refine_diff_density_rms         0.164
_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               4020376
Stannous Chloride in Alcohol: A One-Pot Conversion of 2-Nitro-N-arylbenzamides to 2,3-Dihydro-1H-quinazoline-4-ones
Choong Leol Yoo; James C. Fettinger; Mark J. Kurth; Journal of Organic Chemistry 70 (2005) 6941–6943; doi:10.1021/jo050450f

data_4020377
_publ_section_title
;
 Stannous Chloride in Alcohol: A One-Pot Conversion of
 2-Nitro-N-arylbenzamides to 2,3-Dihydro-1H-quinazoline-4-ones
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6941
_journal_page_last               6943
_journal_paper_doi               10.1021/jo050450f
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C15 H11 F3 N2 O'
_chemical_formula_sum            'C15 H11 F3 N2 O'
_chemical_formula_weight         292.26
_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                 91.490(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   7.6740(10)
_cell_length_b                   13.3249(17)
_cell_length_c                   25.560(3)
_cell_measurement_temperature    90(2)
_cell_volume                     2612.8(6)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.486
_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_database_code               4020377
Stannous Chloride in Alcohol: A One-Pot Conversion of 2-Nitro-N-arylbenzamides to 2,3-Dihydro-1H-quinazoline-4-ones
Choong Leol Yoo; James C. Fettinger; Mark J. Kurth; Journal of Organic Chemistry 70 (2005) 6941–6943; doi:10.1021/jo050450f

data_4020378
_publ_section_title
;
 Stannous Chloride in Alcohol: A One-Pot Conversion of
 2-Nitro-N-arylbenzamides to 2,3-Dihydro-1H-quinazoline-4-ones
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6941
_journal_page_last               6943
_journal_paper_doi               10.1021/jo050450f
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C16 H13 F3 N2 O'
_chemical_formula_sum            'C16 H13 F3 N2 O'
_chemical_formula_weight         306.28
_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                   7.8186(5)
_cell_length_b                   12.8815(8)
_cell_length_c                   13.7597(8)
_cell_measurement_temperature    90(2)
_cell_volume                     1385.81(15)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.468
_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               4020378
Preparation, Structure, and Anion Sensing Properties of 1,n-Diaza[n]ferrocenophanes
Francisco Otón; Alberto Tarraga; Arturo Espinosa; Maria D. Velasco; Delia Bautista; Pedro Molina; Journal of Organic Chemistry 70 (2005) 6603–6608; doi:10.1021/jo050458p

data_4020379
_publ_section_title
;
Preparation, Structure, and Anion Sensing Properties
of 1,n-Diaza[n]ferrocenophanes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6603
_journal_page_last               6608
_journal_paper_doi               10.1021/jo050458p
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C17 H12 Fe N4 O'
_chemical_formula_weight         344.16
_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                   10.1002(6)
_cell_length_b                   11.4854(7)
_cell_length_c                   11.8160(7)
_cell_measurement_temperature    100(2)
_cell_volume                     1370.71(14)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.668
_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               4020379
Synthesis of 2,3-Diaryltetrazole-5-thiones and Theoretical Studies on Atomic Charge Distributions of 2,3-Diphenyltetrazole-5-thione
Fangfang Jian; Pusu Zhao; Lan Zhang; Yuxia Hou; Journal of Organic Chemistry 70 (2005) 8322–8326; doi:10.1021/jo0504767

data_4020380
_publ_section_title
;
 Synthesis of 2,3-Diaryltetrazole-5-thiones and Theoretical
 Studies on Atomic Charge Distributions of
 2,3-Diphenyltetrazole-5-thione
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8322
_journal_page_last               8326
_journal_paper_doi               10.1021/jo0504767
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C13 H10 N4 S'
_chemical_formula_weight         254.31
_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                 97.27(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.755(3)
_cell_length_b                   12.198(2)
_cell_length_c                   6.9800(14)
_cell_measurement_temperature    293(2)
_cell_volume                     1246.2(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.355
_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               4020380
Synthesis of 2,3-Diaryltetrazole-5-thiones and Theoretical Studies on Atomic Charge Distributions of 2,3-Diphenyltetrazole-5-thione
Fangfang Jian; Pusu Zhao; Lan Zhang; Yuxia Hou; Journal of Organic Chemistry 70 (2005) 8322–8326; doi:10.1021/jo0504767

data_4020381
_publ_section_title
;
 Synthesis of 2,3-Diaryltetrazole-5-thiones and Theoretical
 Studies on Atomic Charge Distributions of
 2,3-Diphenyltetrazole-5-thione
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8322
_journal_page_last               8326
_journal_paper_doi               10.1021/jo0504767
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C7.5 H7 N2 S0.5'
_chemical_formula_weight         141.18
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.381(4)
_cell_length_b                   6.1799(12)
_cell_length_c                   6.1865(12)
_cell_measurement_temperature    293(2)
_cell_volume                     702.7(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.334
_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_formula_sum        'C7.50 H7 N2 S0.50'
_cod_database_code               4020381
N-Vinyl- and C-Vinylpyrroles from Azafulvenium Methides. Flash Vacuum Pyrolysis Route to 5-Oxo-5H-pyrrolizines and 1-Azabenzo[f]azulenes
Teresa M. V. D. Pinho e Melo; Maria I. L. Soares; António M. d'A. Rocha Gonsalves; José A. Paixão; Ana Matos Beja; Manuela Ramos Silva; Journal of Organic Chemistry 70 (2005) 6629–6638; doi:10.1021/jo050480i

data_4020382
_publ_section_title
;
 N-Vinyl- and C-Vinylpyrroles from Azafulvenium Methides.
 Flash Vacuum Pyrolysis Route to 5-Oxo-5H-pyrrolizines
 and 1-Azabenzo[f]azulenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6629
_journal_page_last               6638
_journal_paper_doi               10.1021/jo050480i
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C26 H30 N2 O6'
_chemical_formula_weight         466.52
_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                108.097(8)
_cell_angle_beta                 99.00(3)
_cell_angle_gamma                94.537(17)
_cell_formula_units_Z            2
_cell_length_a                   5.160(2)
_cell_length_b                   10.5619(7)
_cell_length_c                   11.939(2)
_cell_measurement_temperature    293(2)
_cell_volume                     605.2(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.280
_cod_database_code               4020382
Narrow-Rim Functionalization of Calix[4]arenes via Sonogashira Coupling Reactions
Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou; Journal of Organic Chemistry 70 (2005) 8273–8280; doi:10.1021/jo050488s

data_4020383
_publ_section_title
;
 Narrow-Rim Functionalization of Calix[4]arenes
 via Sonogashira Coupling Reactions
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8273
_journal_page_last               8280
_journal_paper_doi               10.1021/jo050488s
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C50 H64 Cl3 I O2 Si'
_chemical_formula_weight         958.35
_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                87.8110(10)
_cell_angle_beta                 76.8230(10)
_cell_angle_gamma                62.9930(10)
_cell_formula_units_Z            2
_cell_length_a                   13.1511(9)
_cell_length_b                   14.4021(10)
_cell_length_c                   15.4194(11)
_cell_measurement_temperature    193(2)
_cell_volume                     2526.3(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.260
_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               4020383
Narrow-Rim Functionalization of Calix[4]arenes via Sonogashira Coupling Reactions
Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou; Journal of Organic Chemistry 70 (2005) 8273–8280; doi:10.1021/jo050488s

data_4020384
_publ_section_title
;
 Narrow-Rim Functionalization of Calix[4]arenes
 via Sonogashira Coupling Reactions
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8273
_journal_page_last               8280
_journal_paper_doi               10.1021/jo050488s
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C50 H63 F3 O5 S Si'
_chemical_formula_weight         861.15
_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                106.1910(10)
_cell_angle_beta                 90.7430(10)
_cell_angle_gamma                101.502(2)
_cell_formula_units_Z            4
_cell_length_a                   13.2179(10)
_cell_length_b                   18.0859(14)
_cell_length_c                   22.4324(18)
_cell_measurement_temperature    193(2)
_cell_volume                     5033.1(7)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.136
_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               4020384
Narrow-Rim Functionalization of Calix[4]arenes via Sonogashira Coupling Reactions
Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou; Journal of Organic Chemistry 70 (2005) 8273–8280; doi:10.1021/jo050488s

data_4020385
_publ_section_title
;
 Narrow-Rim Functionalization of Calix[4]arenes
 via Sonogashira Coupling Reactions
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8273
_journal_page_last               8280
_journal_paper_doi               10.1021/jo050488s
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C60 H64 O2'
_chemical_formula_weight         817.11
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'I -2ya'
_symmetry_space_group_name_H-M   'I 1 a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 106.585(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.757(4)
_cell_length_b                   46.193(14)
_cell_length_c                   9.611(3)
_cell_measurement_temperature    193(2)
_cell_volume                     5002(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.085
_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      'I a'
_cod_database_code               4020385
Narrow-Rim Functionalization of Calix[4]arenes via Sonogashira Coupling Reactions
Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou; Journal of Organic Chemistry 70 (2005) 8273–8280; doi:10.1021/jo050488s

data_4020386
_publ_section_title
;
 Narrow-Rim Functionalization of Calix[4]arenes
 via Sonogashira Coupling Reactions
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8273
_journal_page_last               8280
_journal_paper_doi               10.1021/jo050488s
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C47 H55 F3 O5 S'
_chemical_formula_sum            'C47 H55 F3 O5 S'
_chemical_formula_weight         788.97
_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                 92.362(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.0559(14)
_cell_length_b                   24.827(2)
_cell_length_c                   12.3001(12)
_cell_measurement_temperature    193(2)
_cell_volume                     4288.6(7)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.222
_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_database_code               4020386
Ke Yuan; Ting Ke Zhang; Xue Long Hou; Journal of Organic Chemistry 70 (2005) 6085–6088; doi:10.1021/jo050491b

data_4020387
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6085
_journal_page_last               6088
_journal_paper_doi               10.1021/jo050491b
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C16 H21 Br Cl3 N O Pd'
_chemical_formula_weight         536.00
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 120.106(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.013(2)
_cell_length_b                   13.884(2)
_cell_length_c                   12.1079(18)
_cell_measurement_temperature    293(2)
_cell_volume                     2037.9(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.747
_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'
_cod_database_code               4020387
Synthesis and Characterization of Water-Soluble Phenylene-Vinylene-Based Singlet Oxygen Sensitizers for Two-Photon Excitation
Christian B. Nielsen; Mette Johnsen; Jacob Arnbjerg; Michael Pittelkow; Sean P. McIlroy; Peter R. Ogilby; Mikkel Jørgensen; Journal of Organic Chemistry 70 (2005) 7065–7079; doi:10.1021/jo050507y

data_4020388
_publ_section_title
;
 Synthesis and Characterization of Water-Soluble
 Phenylene-Vinylene-Based Singlet Oxygen
 Sensitizers for Two-Photon Excitation
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7065
_journal_page_last               7079
_journal_paper_doi               10.1021/jo050507y
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety
;
C22 H18 Br4 N2, 2(C H3 O4 S)
;
_chemical_formula_sum            'C24 H24 Br4 N2 O8 S2'
_chemical_formula_weight         852.21
_chemical_melting_point_gt       523.15
_chemical_name_common
;
E,E-2,3,4,5-Tetrabromo-1,4-Bis-
[2-(N-methyl-pyridininium)-vinyl]-benzene methylsulfate
;
_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                90.000(5)
_cell_angle_beta                 102.592(6)
_cell_angle_gamma                90.000(10)
_cell_formula_units_Z            2
_cell_length_a                   14.9140(13)
_cell_length_b                   8.4750(11)
_cell_length_c                   11.9150(6)
_cell_measurement_temperature    122(2)
_cell_volume                     1469.8(2)
_diffrn_ambient_temperature      122(2)
_exptl_crystal_density_diffrn    1.926
_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 

The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_melting_point_gt' since the value was specified 'more
than' ('>') a certain temperature. The value '>250 \%' was changed to
'523.15' - it was converted from degrees Celsius(C) to Kelvins(K).

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               4020388