LMucko/crystallography-open-database huggingface dataset:
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0517927

data_4300675
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0517927
_journal_year                    2006
_chemical_formula_sum            'C36 H28 Cl2 O2 P2 Ti'
_chemical_formula_weight         673.32
_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                   10.802(4)
_cell_length_b                   14.284(4)
_cell_length_c                   20.904(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3225.3(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.387
_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               4300675
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0517927

data_4300676
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0517927
_journal_year                    2006
_chemical_formula_sum            'C37 H64 Cl2 O2 P2 Zr'
_chemical_formula_weight         764.94
_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                 106.58(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.614(2)
_cell_length_b                   20.752(4)
_cell_length_c                   18.001(4)
_cell_measurement_temperature    173(2)
_cell_volume                     4158.2(14)
_diffrn_ambient_temperature      173(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               4300676
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0517927

data_4300677
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0517927
_journal_year                    2006
_chemical_formula_sum            'C53.5 H58 Cl2 Hf O2 P2'
_chemical_formula_weight         1044.33
_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                100.915(4)
_cell_angle_beta                 97.924(4)
_cell_angle_gamma                95.791(4)
_cell_formula_units_Z            2
_cell_length_a                   9.8846(4)
_cell_length_b                   11.8345(5)
_cell_length_c                   21.7236(9)
_cell_measurement_temperature    173(2)
_cell_volume                     2450.25(18)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.415
_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_original_formula_sum        'C53.50 H58 Cl2 Hf O2 P2'
_cod_database_code               4300677
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051818u

data_4300678
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051818u
_journal_year                    2006
_chemical_formula_sum            'C96 H108 F40 N3 Pt2 Tl'
_chemical_formula_weight         2658.4
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.67
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.6450(2)
_cell_length_b                   22.8355(2)
_cell_length_c                   26.0284(3)
_cell_measurement_temperature    173.0(10)
_cell_volume                     10338.58(19)
_diffrn_ambient_temperature      173.0(10)
_exptl_crystal_density_diffrn    1.708
_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               4300678
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051818u

data_4300679
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051818u
_journal_year                    2006
_chemical_formula_sum            'C40 H36 F20 N Pt Tl'
_chemical_formula_weight         1310.16
_space_group_IT_number           180
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   14.2476(7)
_cell_length_b                   14.2476(7)
_cell_length_c                   18.1928(11)
_cell_measurement_temperature    180.0(10)
_cell_volume                     3198.3(3)
_diffrn_ambient_temperature      180.0(10)
_exptl_crystal_density_diffrn    2.041
_cod_database_code               4300679
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051818u

data_4300680
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051818u
_journal_year                    2006
_chemical_formula_sum            'C56 H72 F26 N2 P Pt Tl'
_chemical_formula_weight         1697.59
_space_group_IT_number           54
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2c'
_symmetry_space_group_name_H-M   'P c a a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.6668(2)
_cell_length_b                   14.2938(3)
_cell_length_c                   35.0539(9)
_cell_measurement_temperature    173.0(10)
_cell_volume                     6346.7(2)
_diffrn_ambient_temperature      173.0(10)
_exptl_crystal_density_diffrn    1.777
_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               4300680
A New Valence-Sandwich [MnII4MnIII4MnII4] Aggregate showing Single-Molecule Magnet Behavior
Yangguang Li; Wolfgang Wernsdorfer; Rodolphe Clerac; Ian J. Hewitt; Christopher E. Anson; Annie K. Powell; Inorganic Chemistry  (2006) –; doi:10.1021/ic051819m

data_4300681
_publ_section_title
;
A New Valence-Sandwich [MnII4MnIII4MnII4] Aggregate showing
Single-Molecule Magnet Behavior
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051819m
_journal_year                    2006
_chemical_formula_sum            'C44 H88 Mn12 O42'
_chemical_formula_weight         1948.42
_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                 96.596(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.8465(12)
_cell_length_b                   14.2914(14)
_cell_length_c                   20.564(2)
_cell_measurement_temperature    100(2)
_cell_volume                     3458.5(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.871
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300681
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0518226

data_4300682
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0518226
_journal_year                    2006
_chemical_formula_sum            'B H10 Li4 N3'
_chemical_formula_weight         90.68
_space_group_IT_number           199
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I 2b 2c 3'
_symmetry_space_group_name_H-M   'I 21 3'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.6794(10)
_cell_length_b                   10.6794(10)
_cell_length_c                   10.6794(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1218.0(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    0.989
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' 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 ? ? ?'
_cod_original_formula_sum        'H10 B Li4 N3'
_cod_database_code               4300682
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0518226

data_4300683
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0518226
_journal_year                    2006
_chemical_formula_sum            'B H10 Li4 N3'
_chemical_formula_weight         90.68
_space_group_IT_number           199
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I 2b 2c 3'
_symmetry_space_group_name_H-M   'I 21 3'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.6723(10)
_cell_length_b                   10.6723(10)
_cell_length_c                   10.6723(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1215.6(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    0.991
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' 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 ? ? ?'
_cod_original_formula_sum        'H10 B Li4 N3'
_cod_database_code               4300683
Large pressure-induced red-shift of the luminescence band for crystalline [Pt(SCN)4]2- without metal-metal interactions
Genevieve Levasseur-Theriault; Christophe Aronica; Dominique Luneau; Christian Reber; Inorganic Chemistry  (2006) –; doi:10.1021/ic051836b

data_4300684
_publ_section_title
;
Large pressure-induced red-shift of the luminescence band
for crystalline [Pt(SCN)4]2- without metal-metal interactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051836b
_journal_year                    2006
_chemical_formula_moiety         'C46 H32 Mn2 N14 Pt1 S6'
_chemical_formula_sum            'C46 H32 Mn2 N14 Pt S6'
_chemical_formula_weight         1278.184
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.157(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.215(5)
_cell_length_b                   24.546(5)
_cell_length_c                   12.543(5)
_cell_measurement_temperature    293
_cell_volume                     2522.6(19)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.680
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C46 H32 Mn2 N14 Pt1 S6'
_cod_database_code               4300684
Lee, Hon Man; Chiu, Ping Ling; Inorganic Chemistry  (2006) –; doi:10.1021/ic051840n

data_4300685
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051840n
_journal_year                    2006
_chemical_formula_moiety         'C42 H44 Ag2 N8, C4 H10 O, N2 O6'
_chemical_formula_sum            'C46 H54 Ag2 N10 O7'
_chemical_formula_weight         1074.73
_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                 107.04(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   30.16(2)
_cell_length_b                   8.834(5)
_cell_length_c                   18.437(11)
_cell_measurement_temperature    298(2)
_cell_volume                     4697(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.520
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4300685
Lee, Hon Man; Lee, Chun-Chin; Inorganic Chemistry  (2006) –; doi:10.1021/ic051840n

data_4300686
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051840n
_journal_year                    2006
_chemical_formula_moiety         'C34 H38 Ag2 F2 N8, C3 H7 N O, 2(N O3)'
_chemical_formula_sum            'C37 H45 Ag2 F2 N11 O7'
_chemical_formula_weight         1009.58
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                84.938(10)
_cell_angle_beta                 84.937(9)
_cell_angle_gamma                80.770(10)
_cell_formula_units_Z            2
_cell_length_a                   9.489(2)
_cell_length_b                   12.732(3)
_cell_length_c                   17.445(4)
_cell_measurement_temperature    150(2)
_cell_volume                     2066.3(8)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.623
_cod_database_code               4300686
Lee, Hon Man; Chiu, Ping Ling; Inorganic Chemistry  (2006) –; doi:10.1021/ic051840n

data_4300687
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051840n
_journal_year                    2006
_chemical_formula_moiety         'C34 H38 Ag2 F2 N8, 2(B F4)'
_chemical_formula_sum            'C34 H38 Ag2 B2 F10 N8'
_chemical_formula_weight         986.08
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.860(2)
_cell_angle_beta                 101.205(2)
_cell_angle_gamma                105.317(2)
_cell_formula_units_Z            2
_cell_length_a                   10.8304(4)
_cell_length_b                   12.2859(5)
_cell_length_c                   15.4688(6)
_cell_measurement_temperature    150(2)
_cell_volume                     1908.47(13)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.716
_cod_database_code               4300687
Lee, Hon Man; Chiu, Ping Ling; Inorganic Chemistry  (2006) –; doi:10.1021/ic051840n

data_4300688
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051840n
_journal_year                    2006
_chemical_formula_moiety         'C34 H38 Ag F2 N8, N O3, 0.25(H2 O)'
_chemical_formula_sum            'C34 H38.5 Ag F2 N9 O3.25'
_chemical_formula_weight         771.11
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.8680(10)
_cell_angle_beta                 84.8040(10)
_cell_angle_gamma                76.1270(10)
_cell_formula_units_Z            4
_cell_length_a                   9.4205(6)
_cell_length_b                   13.4043(8)
_cell_length_c                   28.8919(17)
_cell_measurement_temperature    150(2)
_cell_volume                     3526.6(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.452
_cod_original_formula_sum        'C34 H38.50 Ag F2 N9 O3.25'
_cod_database_code               4300688
Lee, Hon Man; Chen, Chih Yuan; Inorganic Chemistry  (2006) –; doi:10.1021/ic051840n

data_4300689
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051840n
_journal_year                    2006
_chemical_formula_moiety         'C34 H40 Ag2 N10 O6'
_chemical_formula_sum            'C34 H40 Ag2 N10 O6'
_chemical_formula_weight         900.50
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                71.359(7)
_cell_angle_beta                 89.092(8)
_cell_angle_gamma                89.993(7)
_cell_formula_units_Z            2
_cell_length_a                   8.8758(12)
_cell_length_b                   13.9822(18)
_cell_length_c                   15.222(2)
_cell_measurement_temperature    150(2)
_cell_volume                     1789.7(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.671
_cod_database_code               4300689
Victor Barba; Inorganic Chemistry  (2006) –; doi:10.1021/ic051850o

data_4300690
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051850o
_journal_year                    2006
_chemical_formula_sum            'C60 H48 B3 I6 N3 O6'
_chemical_formula_weight         1700.84
_chemical_melting_point_gt       643.15
_chemical_name_common            boracalix[3]arene_1b
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   15.4284(11)
_cell_length_b                   15.4284(11)
_cell_length_c                   15.8947(16)
_cell_measurement_temperature    100(2)
_cell_volume                     3276.6(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.724
_cod_depositor_comments
;
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 

The following automatic conversions were performed:

'_cell_measurement_temperature' value '100(2)K' was changed to
'100(2)' - the value should be numeric and without a unit
designator.

'_diffrn_ambient_temperature' value '100(2)_K' was
changed to '100(2)' - the value should be numeric and without a unit
designator.

'_chemical_melting_point' tag was changed to
'_chemical_melting_point_gt' since the value was specified 'more
than' ('>') a certain temperature. The value '>_370C' was changed to
'643.15' - 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_database_code               4300690
Victor Barba; Inorganic Chemistry  (2006) –; doi:10.1021/ic051850o

data_4300691
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051850o
_journal_year                    2006
_chemical_formula_sum            'C44 H42 B3 Cl4 N3 O10'
_chemical_formula_weight         947.04
_chemical_melting_point_gt       643.15
_chemical_name_common            boracalix[3]arene_1c
_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                 117.275(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.4628(18)
_cell_length_b                   16.8118(17)
_cell_length_c                   17.5255(17)
_cell_measurement_temperature    100(2)
_cell_volume                     4573.1(8)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.376
_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:

'_cell_measurement_temperature' value '100(2)K' was changed to
'100(2)' - the value should be numeric and without a unit
designator.

'_diffrn_ambient_temperature' value '100(2)_K' was
changed to '100(2)' - the value should be numeric and without a unit
designator.

'_chemical_melting_point' tag was changed to
'_chemical_melting_point_gt' since the value was specified 'more
than' ('>') a certain temperature. The value '>_370C' was changed to
'643.15' - 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/n'
_cod_database_code               4300691