LMucko/crystallography-open-database huggingface dataset:
From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes, Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials
Sonia Macho; Daniel Miguel; Teresa Gómez; Teresa Rodríguez; Tomás Torroba; Journal of Organic Chemistry 70 (2005) 9314–9325; doi:10.1021/jo0514117

data_4020624
_publ_section_title
;
 From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes,
 Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and
 Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9314
_journal_page_last               9325
_journal_paper_doi               10.1021/jo0514117
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C8 H4 Cl2 N2 S2'
_chemical_formula_weight         263.15
_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                72.666(13)
_cell_angle_beta                 89.879(12)
_cell_angle_gamma                88.608(15)
_cell_formula_units_Z            4
_cell_length_a                   5.699(4)
_cell_length_b                   11.841(7)
_cell_length_c                   16.163(11)
_cell_measurement_temperature    293(2)
_cell_volume                     1040.9(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.679
_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               4020624
From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes, Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials
Sonia Macho; Daniel Miguel; Teresa Gómez; Teresa Rodríguez; Tomás Torroba; Journal of Organic Chemistry 70 (2005) 9314–9325; doi:10.1021/jo0514117

data_4020625
_publ_section_title
;
 From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes,
 Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and
 Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9314
_journal_page_last               9325
_journal_paper_doi               10.1021/jo0514117
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C10 H6 Cl3 N O2 S'
_chemical_formula_weight         310.57
_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                96.964(2)
_cell_angle_beta                 90.165(3)
_cell_angle_gamma                90.255(3)
_cell_formula_units_Z            2
_cell_length_a                   5.6712(7)
_cell_length_b                   8.6976(11)
_cell_length_c                   12.3080(15)
_cell_measurement_temperature    299(2)
_cell_volume                     602.61(13)
_diffrn_ambient_temperature      299(2)
_exptl_crystal_density_diffrn    1.712
_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               4020625
From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes, Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials
Sonia Macho; Daniel Miguel; Teresa Gómez; Teresa Rodríguez; Tomás Torroba; Journal of Organic Chemistry 70 (2005) 9314–9325; doi:10.1021/jo0514117

data_4020626
_publ_section_title
;
 From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes,
 Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and
 Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9314
_journal_page_last               9325
_journal_paper_doi               10.1021/jo0514117
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C14 H12 Cl N3 O2 S2'
_chemical_formula_weight         353.84
_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                 102.622(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.913(6)
_cell_length_b                   8.713(4)
_cell_length_c                   26.063(12)
_cell_measurement_temperature    293(2)
_cell_volume                     3083(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.525
_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               4020626
Fast and Stable Photochromic Oxazines
Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo; Journal of Organic Chemistry 70 (2005) 8180–8189; doi:10.1021/jo051417w

data_4020627
_publ_section_title
;
 Fast and Stable Photochromic Oxazines
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8180
_journal_page_last               8189
_journal_paper_doi               10.1021/jo051417w
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C18 H18 N2 O3'
_chemical_formula_weight         310.34
_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                 101.171(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.1728(5)
_cell_length_b                   17.7129(9)
_cell_length_c                   11.0657(6)
_cell_measurement_temperature    173(2)
_cell_volume                     1571.56(15)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.312
_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_database_code               4020627
Fast and Stable Photochromic Oxazines
Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo; Journal of Organic Chemistry 70 (2005) 8180–8189; doi:10.1021/jo051417w

data_4020628
_publ_section_title
;
 Fast and Stable Photochromic Oxazines
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8180
_journal_page_last               8189
_journal_paper_doi               10.1021/jo051417w
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C39 H61 N3 O6'
_chemical_formula_weight         667.91
_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                 103.270(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   37.174(2)
_cell_length_b                   9.2670(7)
_cell_length_c                   22.8271(17)
_cell_measurement_temperature    173(2)
_cell_volume                     7653.9(9)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.159
_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               4020628
Facile Synthesis of 2-Alkynyl Buta-1,3-dienes via Sonogashira Cross-Coupling Methodology
Li-Xiong Shao; Min Shi; Journal of Organic Chemistry 70 (2005) 8635–8637; doi:10.1021/jo051434l

data_4020629
_publ_section_title
;
 Facile Synthesis of 2-Alkynyl Buta-1,3-dienes
 via Sonogashira Cross-Coupling Methodology
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8635
_journal_page_last               8637
_journal_paper_doi               10.1021/jo051434l
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C24 H18'
_chemical_formula_weight         306.38
_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                117.681(3)
_cell_angle_beta                 99.163(4)
_cell_angle_gamma                108.395(4)
_cell_formula_units_Z            2
_cell_length_a                   9.8838(18)
_cell_length_b                   10.5056(18)
_cell_length_c                   10.8938(19)
_cell_measurement_temperature    293(2)
_cell_volume                     885.3(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.149
_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               4020629
Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine
Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong; Journal of Organic Chemistry 70 (2005) 9377–9381; doi:10.1021/jo051453v

data_4020630
_publ_section_title
;
 Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds
 from 4-Phenylsulfonyl Tetrafluoropyridine
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9377
_journal_page_last               9381
_journal_paper_doi               10.1021/jo051453v
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C13 H11 F2 N3 O2 S'
_chemical_formula_sum            'C13 H11 F2 N3 O2 S'
_chemical_formula_weight         311.31
_chemical_melting_point          178.0(5)
_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                 95.1420(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.4972(4)
_cell_length_b                   8.1056(2)
_cell_length_c                   10.8247(3)
_cell_measurement_temperature    120(2)
_cell_volume                     1266.88(6)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.632
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '177.5-178.5' was changed to
'178.0(5)' - 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               4020630
Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine
Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong; Journal of Organic Chemistry 70 (2005) 9377–9381; doi:10.1021/jo051453v

data_4020631
_publ_section_title
;
 Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds
 from 4-Phenylsulfonyl Tetrafluoropyridine
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9377
_journal_page_last               9381
_journal_paper_doi               10.1021/jo051453v
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C25 H19 F2 N3 O2 S'
_chemical_formula_sum            'C25 H19 F2 N3 O2 S'
_chemical_formula_weight         463.49
_chemical_melting_point          186.2(8)
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_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                   18.7318(4)
_cell_length_b                   9.9214(2)
_cell_length_c                   23.5820(5)
_cell_measurement_temperature    120(2)
_cell_volume                     4382.61(16)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.405
_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 '185.4-186.9' was changed to
'186.2(8)' - 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               4020631
Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine
Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong; Journal of Organic Chemistry 70 (2005) 9377–9381; doi:10.1021/jo051453v

data_4020632
_publ_section_title
;
 Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds
 from 4-Phenylsulfonyl Tetrafluoropyridine
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9377
_journal_page_last               9381
_journal_paper_doi               10.1021/jo051453v
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C14 H13 F2 N3 O2 S'
_chemical_formula_sum            'C14 H13 F2 N3 O2 S'
_chemical_formula_weight         325.33
_chemical_melting_point          149.0(10)
_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                94.951(1)
_cell_angle_beta                 99.041(1)
_cell_angle_gamma                97.375(1)
_cell_formula_units_Z            2
_cell_length_a                   7.7158(1)
_cell_length_b                   9.1000(1)
_cell_length_c                   10.1603(2)
_cell_measurement_temperature    120(2)
_cell_volume                     694.56(2)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.556
_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 

The following automatic conversions were performed:

'_chemical_melting_point' value '148.0-150.0' was changed to
'149.0(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               4020632
Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine
Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong; Journal of Organic Chemistry 70 (2005) 9377–9381; doi:10.1021/jo051453v

data_4020633
_publ_section_title
;
 Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds
 from 4-Phenylsulfonyl Tetrafluoropyridine
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9377
_journal_page_last               9381
_journal_paper_doi               10.1021/jo051453v
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C14 H13 F2 N3 O2 S'
_chemical_formula_sum            'C14 H13 F2 N3 O2 S'
_chemical_formula_weight         325.33
_chemical_melting_point          172(2)
_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                 109.4290(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.3219(1)
_cell_length_b                   15.8421(2)
_cell_length_c                   11.3786(2)
_cell_measurement_temperature    120(2)
_cell_volume                     1414.69(4)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.527
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '170.5-174.5' was changed to '172(2)'
- 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               4020633
Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine
Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong; Journal of Organic Chemistry 70 (2005) 9377–9381; doi:10.1021/jo051453v

data_4020634
_publ_section_title
;
 Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds
 from 4-Phenylsulfonyl Tetrafluoropyridine
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9377
_journal_page_last               9381
_journal_paper_doi               10.1021/jo051453v
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C14 H13 F2 N3 O2 S'
_chemical_formula_sum            'C14 H13 F2 N3 O2 S'
_chemical_formula_weight         325.33
_chemical_melting_point          180.0(10)
_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                105.942(2)
_cell_angle_beta                 103.247(2)
_cell_angle_gamma                105.640(2)
_cell_formula_units_Z            4
_cell_length_a                   10.1943(5)
_cell_length_b                   10.5803(6)
_cell_length_c                   14.7937(8)
_cell_measurement_temperature    120(2)
_cell_volume                     1396.00(13)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.548
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '179.0-181.0' was changed to
'180.0(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               4020634
Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine
Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong; Journal of Organic Chemistry 70 (2005) 9377–9381; doi:10.1021/jo051453v

data_4020635
_publ_section_title
;
 Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds
 from 4-Phenylsulfonyl Tetrafluoropyridine
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9377
_journal_page_last               9381
_journal_paper_doi               10.1021/jo051453v
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C15 H15 F2 N3 O2 S'
_chemical_formula_sum            'C15 H15 F2 N3 O2 S'
_chemical_formula_weight         339.36
_chemical_temperature_decomposition 160
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.3729(5)
_cell_length_b                   9.7107(2)
_cell_length_c                   14.4801(3)
_cell_measurement_temperature    120(2)
_cell_volume                     3005.3(1)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.500
_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' tag was changed to
'_chemical_temperature_decomposition' since the value had been
'160(dec)'. The value '160(dec)' was changed to '160'.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4020635