LMucko/crystallography-open-database huggingface dataset:
Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.; Journal of the American Chemical Society  (2005) –; doi:

data_4100923
_publ_section_title
;
 Guest-Dependent Negative Thermal Expansion in Nanoporous
 Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C6 Cd N6 Pt'
_chemical_formula_sum            'C6 Cd N6 Pt'
_chemical_formula_weight         463.61
_chemical_name_common            'cadmium hexacyanoplatinate'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.94610(10)
_cell_length_b                   10.94610(10)
_cell_length_c                   10.94610(10)
_cell_measurement_temperature    100(2)
_cell_volume                     1311.53(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.348
_cod_database_code               4100923
Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.; Journal of the American Chemical Society  (2005) –; doi:

data_4100924
_publ_section_title
;
 Guest-Dependent Negative Thermal Expansion in Nanoporous
 Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C6 Cd N6 Pt'
_chemical_formula_sum            'C6 Cd N6 Pt'
_chemical_formula_weight         463.61
_chemical_name_common            'cadmium hexacyanoplatinate'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.94210(10)
_cell_length_b                   10.94210(10)
_cell_length_c                   10.94210(10)
_cell_measurement_temperature    150(2)
_cell_volume                     1310.09(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    2.350
_cod_database_code               4100924
Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.; Journal of the American Chemical Society  (2005) –; doi:

data_4100925
_publ_section_title
;
 Guest-Dependent Negative Thermal Expansion in Nanoporous
 Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C6 Cd N6 Pt'
_chemical_formula_sum            'C6 Cd N6 Pt'
_chemical_formula_weight         463.61
_chemical_name_common            'cadmium hexacyanoplatinate'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9380(2)
_cell_length_b                   10.9380(2)
_cell_length_c                   10.9380(2)
_cell_measurement_temperature    225(2)
_cell_volume                     1308.62(4)
_diffrn_ambient_temperature      225(2)
_exptl_crystal_density_diffrn    2.353
_cod_database_code               4100925
Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.; Journal of the American Chemical Society  (2005) –; doi:

data_4100926
_publ_section_title
;
 Guest-Dependent Negative Thermal Expansion in Nanoporous
 Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C6 Cd N6 Pt'
_chemical_formula_sum            'C6 Cd N6 Pt'
_chemical_formula_weight         463.61
_chemical_name_common            'cadmium hexacyanoplatinate'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9290(2)
_cell_length_b                   10.9290(2)
_cell_length_c                   10.9290(2)
_cell_measurement_temperature    300(2)
_cell_volume                     1305.39(4)
_diffrn_ambient_temperature      300(2)
_exptl_crystal_density_diffrn    2.359
_cod_database_code               4100926
Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.; Journal of the American Chemical Society  (2005) –; doi:

data_4100927
_publ_section_title
;
 Guest-Dependent Negative Thermal Expansion in Nanoporous
 Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C6 Cd N6 Pt'
_chemical_formula_sum            'C6 Cd N6 Pt'
_chemical_formula_weight         463.61
_chemical_name_common            'cadmium hexacyanoplatinate'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9228(2)
_cell_length_b                   10.9228(2)
_cell_length_c                   10.9228(2)
_cell_measurement_temperature    375(2)
_cell_volume                     1303.17(4)
_diffrn_ambient_temperature      375(2)
_exptl_crystal_density_diffrn    2.363
_cod_database_code               4100927
Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.; Journal of the American Chemical Society  (2005) –; doi:

data_4100928
_publ_section_title
;
 Guest-Dependent Negative Thermal Expansion in Nanoporous
 Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C6 Cd N6 Pt, 2(O H2)'
_chemical_formula_sum            'C6 H4 Cd N6 O2 Pt'
_chemical_formula_weight         499.64
_chemical_name_common            'cadmium hexacyanoplatinate dihydrate'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.95160(10)
_cell_length_b                   10.95160(10)
_cell_length_c                   10.95160(10)
_cell_measurement_temperature    100(2)
_cell_volume                     1313.51(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.527
_cod_database_code               4100928
Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.; Journal of the American Chemical Society  (2005) –; doi:

data_4100929
_publ_section_title
;
 Guest-Dependent Negative Thermal Expansion in Nanoporous
 Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C6 N6 Pt Zn'
_chemical_formula_sum            'C6 N6 Pt Zn'
_chemical_formula_weight         416.58
_chemical_name_common            'zinc hexacyanoplatinate'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5234(3)
_cell_length_b                   10.5234(3)
_cell_length_c                   10.5234(3)
_cell_measurement_temperature    100(2)
_cell_volume                     1165.38(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.374
_cod_database_code               4100929
Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.; Journal of the American Chemical Society  (2005) –; doi:

data_4100930
_publ_section_title
;
 Guest-Dependent Negative Thermal Expansion in Nanoporous
 Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C6 N6 Pt Zn'
_chemical_formula_sum            'C6 N6 Pt Zn'
_chemical_formula_weight         416.58
_chemical_name_common            'zinc hexacyanoplatinate'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5220(3)
_cell_length_b                   10.5220(3)
_cell_length_c                   10.5220(3)
_cell_measurement_temperature    150(2)
_cell_volume                     1164.92(6)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    2.375
_cod_database_code               4100930
Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.; Journal of the American Chemical Society  (2005) –; doi:

data_4100931
_publ_section_title
;
 Guest-Dependent Negative Thermal Expansion in Nanoporous
 Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C6 N6 Pt Zn'
_chemical_formula_sum            'C6 N6 Pt Zn'
_chemical_formula_weight         416.58
_chemical_name_common            'zinc hexacyanoplatinate'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5241(5)
_cell_length_b                   10.5241(5)
_cell_length_c                   10.5241(5)
_cell_measurement_temperature    225(2)
_cell_volume                     1165.61(10)
_diffrn_ambient_temperature      225(2)
_exptl_crystal_density_diffrn    2.374
_cod_database_code               4100931
Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.; Journal of the American Chemical Society  (2005) –; doi:

data_4100932
_publ_section_title
;
 Guest-Dependent Negative Thermal Expansion in Nanoporous
 Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C6 N6 Pt Zn'
_chemical_formula_sum            'C6 N6 Pt Zn'
_chemical_formula_weight         416.58
_chemical_name_common            'zinc hexacyanoplatinate'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5186(7)
_cell_length_b                   10.5186(7)
_cell_length_c                   10.5186(7)
_cell_measurement_temperature    300(2)
_cell_volume                     1163.79(13)
_diffrn_ambient_temperature      300(2)
_exptl_crystal_density_diffrn    2.378
_cod_database_code               4100932
Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.; Journal of the American Chemical Society  (2005) –; doi:

data_4100933
_publ_section_title
;
 Guest-Dependent Negative Thermal Expansion in Nanoporous
 Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C6 N6 Pt Zn'
_chemical_formula_sum            'C6 N6 Pt Zn'
_chemical_formula_weight         416.58
_chemical_name_common            'zinc hexacyanoplatinate'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5104(6)
_cell_length_b                   10.5104(6)
_cell_length_c                   10.5104(6)
_cell_measurement_temperature    375(2)
_cell_volume                     1161.07(11)
_diffrn_ambient_temperature      375(2)
_exptl_crystal_density_diffrn    2.383
_cod_database_code               4100933
Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.; Journal of the American Chemical Society  (2005) –; doi:

data_4100934
_publ_section_title
;
 Guest-Dependent Negative Thermal Expansion in Nanoporous
 Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C6 N6 Pt Zn, 2(O H2)'
_chemical_formula_sum            'C6 H4 N6 O2 Pt Zn'
_chemical_formula_weight         452.61
_chemical_name_common            'zinc hexacyanoplatinate dihydrate'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5467(4)
_cell_length_b                   10.5467(4)
_cell_length_c                   10.5467(4)
_cell_measurement_temperature    100(2)
_cell_volume                     1173.14(8)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.563
_cod_database_code               4100934
Hiremath, Rupa; Swift, Jennifer A.; Journal of the American Chemical Society  (2005) –; doi:

data_4100935
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C13 H10 N4 O5, H2 O'
_chemical_formula_sum            'C13 H12 N4 O6'
_chemical_formula_weight         320.27
_chemical_name_common            1,3-Bis(m-nitrophenyl)urea
_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                 96.848(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   24.876(6)
_cell_length_b                   7.3861(18)
_cell_length_c                   3.7573(9)
_cell_measurement_temperature    173(2)
_cell_volume                     685.4(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.552
_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               4100935
Hiremath, Rupa; Swift, Jennifer A.; Journal of the American Chemical Society  (2005) –; doi:

data_4100936
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C224 H208 Au16 F48 N8 P24 S16'
_chemical_formula_weight         8331.69
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 117.095(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   26.969(5)
_cell_length_b                   26.417(5)
_cell_length_c                   24.926(5)
_cell_measurement_temperature    293(2)
_cell_volume                     15809(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.750
_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'
_cod_database_code               4100936
Hiremath, Rupa; Swift, Jennifer A.; Journal of the American Chemical Society  (2005) –; doi:

data_4100937
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C53 H75 F N3 Ti, C24 B F20'
_chemical_formula_sum            'C77 H75 B F21 N3 Ti'
_chemical_formula_weight         1500.11
_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                 92.453(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.051(13)
_cell_length_b                   18.123(11)
_cell_length_c                   20.631(11)
_cell_measurement_temperature    293(2)
_cell_volume                     7490(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.330
_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               4100937
Hiremath, Rupa; Swift, Jennifer A.; Journal of the American Chemical Society  (2005) –; doi:

data_4100938
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C98 H103 B F21 N4 Ti'
_chemical_formula_weight         1794.55
_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                94.549(6)
_cell_angle_beta                 96.440(6)
_cell_angle_gamma                106.337(6)
_cell_formula_units_Z            2
_cell_length_a                   13.314(3)
_cell_length_b                   18.463(4)
_cell_length_c                   19.131(4)
_cell_measurement_temperature    123(2)
_cell_volume                     4453.9(17)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.338
_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               4100938