LMucko/crystallography-open-database huggingface dataset:
M.T.Whited; E.Rivard; J.C.Peters; Chemical Communications  (2006) –; doi:10.1039/b516046d

data_7100864
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516046d
_journal_year                    2006
_chemical_formula_sum            'C56.5 H61 Cl Fe N P3 Si'
_chemical_formula_weight         966.36
_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                72.318(3)
_cell_angle_beta                 83.313(3)
_cell_angle_gamma                89.880(3)
_cell_formula_units_Z            4
_cell_length_a                   10.8604(17)
_cell_length_b                   20.831(3)
_cell_length_c                   23.586(4)
_cell_measurement_temperature    100(2)
_cell_volume                     5046.3(14)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.272
_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        'C56.50 H61 Cl Fe N P3 Si'
_cod_database_code               7100864
M.T. Whited; E. Rivard; J.C. Peters; Chemical Communications  (2006) –; doi:10.1039/b516046d

data_7100865
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516046d
_journal_year                    2006
_chemical_formula_sum            'C45 H50 Cl Fe N P2 Si'
_chemical_formula_weight         786.19
_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                 94.581(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.793(3)
_cell_length_b                   9.371(3)
_cell_length_c                   44.610(12)
_cell_measurement_temperature    100(2)
_cell_volume                     4080.9(19)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.280
_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               7100865
M.T. Whited; E. Rivard; J.C. Peters; Chemical Communications  (2006) –; doi:10.1039/b516046d

data_7100866
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516046d
_journal_year                    2006
_chemical_formula_sum            'C43 H54 Co I N O P2 Si'
_chemical_formula_weight         876.73
_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                 92.988(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6071(8)
_cell_length_b                   21.6762(15)
_cell_length_c                   16.8895(12)
_cell_measurement_temperature    100(2)
_cell_volume                     4243.6(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.372
_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               7100866
M.T. Whited; E. Rivard; J.C. Peters; Chemical Communications  (2006) –; doi:10.1039/b516046d

data_7100867
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516046d
_journal_year                    2006
_chemical_formula_sum            'C51 H52 Cl Co N P3 Si'
_chemical_formula_weight         894.32
_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                93.701(4)
_cell_angle_beta                 91.736(4)
_cell_angle_gamma                103.463(4)
_cell_formula_units_Z            4
_cell_length_a                   12.8058(15)
_cell_length_b                   17.612(2)
_cell_length_c                   20.505(3)
_cell_measurement_temperature    100(2)
_cell_volume                     4483.4(10)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.325
_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               7100867
Experimental and Computational Studies on the Solvent-controlled Cluster Isomerism of Ru3(H)(CO)9(NPPh3) and Related Dynamics
Carlo Mealli; Antonio Tiripicchio; Andrew D. Phillips; Giovanni Predieri; Roberto Pattacini; Chemical Communications  (2006) –; doi:10.1039/b516137a

data_7100868
_publ_section_title
;
Experimental and Computational Studies on the
Solvent-controlled Cluster Isomerism of Ru3(H)(CO)9(NPPh3) and
Related Dynamics
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516137a
_journal_year                    2006
_chemical_formula_moiety         'C27 H16 N O9 P Ru3'
_chemical_formula_sum            'C27 H16 N O9 P Ru3'
_chemical_formula_weight         832.59
_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                 90.880(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.153(5)
_cell_length_b                   18.797(5)
_cell_length_c                   17.026(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2929(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.888
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100868
Experimental and Computational Studies on the Solvent-controlled Cluster Isomerism of Ru3(H)(CO)9(NPPh3) and Related Dynamics
Carlo Mealli; Antonio Tiripicchio; Andrew D. Phillips; Giovanni Predieri; Roberto Pattacini; Chemical Communications  (2006) –; doi:10.1039/b516137a

data_7100869
_publ_section_title
;
Experimental and Computational Studies on the
Solvent-controlled Cluster Isomerism of Ru3(H)(CO)9(NPPh3) and
Related Dynamics
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516137a
_journal_year                    2006
_chemical_formula_moiety         'C27 H16 N O9 P Ru3'
_chemical_formula_sum            'C27 H16 N O9 P Ru3'
_chemical_formula_weight         832.59
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.100(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3591(10)
_cell_length_b                   17.6646(10)
_cell_length_c                   18.1015(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2946.2(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.877
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100869
Photoisomerization of cis,cis-1,4-diphenyl-1,3-butadiene in glassy media at 77 K: The Bicycle-Pedal mechanism
Jack Saltiel; Ronald J. Clark; Tallapragada S. R. Krishna; Andrzej M. Turek; Chemical Communications  (2006) –; doi:10.1039/b516319f

data_7100870
_publ_section_title
;
Photoisomerization of
cis,cis-1,4-diphenyl-1,3-butadiene in glassy media at 77 K: The
Bicycle-Pedal mechanism
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516319f
_journal_year                    2006
_chemical_formula_moiety         'C16 H14'
_chemical_formula_sum            'C16 H14'
_chemical_formula_weight         206.27
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.136(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   14.2760(8)
_cell_length_b                   14.2485(8)
_cell_length_c                   22.6565(13)
_cell_measurement_temperature    100(2)
_cell_volume                     4605.4(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.190
_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 c'
_cod_database_code               7100870
Metric engineering of supramolecular borromean rings
Giuseppe Resnati; Rosalba Liantonio; Pierangelo Metrangolo; Franck Meyer; Tullio Pilati; Chemical Communications  (2006) –; doi:10.1039/b516730b

data_7100871
_publ_section_title
;
Metric engineering of supramolecular borromean rings
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516730b
_journal_year                    2006
_chemical_formula_moiety         '2(C18 H36 K N2 O6) +1, 3(C2 F4 I2), 2I -1'
_chemical_formula_sum            'C42 H72 F12 I8 K2 N4 O12'
_chemical_formula_weight         2146.44
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   11.7478(15)
_cell_length_b                   11.7478(15)
_cell_length_c                   85.034(10)
_cell_measurement_temperature    90(2)
_cell_volume                     10163(2)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    2.104
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               7100871
Metric engineering of supramolecular borromean rings
Giuseppe Resnati; Rosalba Liantonio; Pierangelo Metrangolo; Franck Meyer; Tullio Pilati; Chemical Communications  (2006) –; doi:10.1039/b516730b

data_7100872
_publ_section_title
;
Metric engineering of supramolecular borromean rings
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516730b
_journal_year                    2006
_chemical_formula_moiety         '2(C18 H36 K N2 O6) +1, 3(C6 F12 I2), 2I -1'
_chemical_formula_sum            'C54 H72 F36 I8 K2 N4 O12'
_chemical_formula_weight         2746.56
_space_group_IT_number           147
_space_group_name_Hall           '-P 3'
_space_group_name_H-M_alt        'P -3'
_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            1
_cell_length_a                   11.861(2)
_cell_length_b                   11.861(2)
_cell_length_c                   17.319(3)
_cell_measurement_temperature    90(2)
_cell_volume                     2110.1(6)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    2.161
_cod_database_code               7100872
A New Homologous Series A2[M5+nSe9+n] (A = Rb, Cs; M = Bi, Ag, Cd) and its members ?-CsBi3Se5, Rb2CdBi6Se11, CsAg0.5Bi3.5Se6, CsCdBi3Se6, Rb2Ag1.5Bi7.5Se13, and Cs2Ag1.5Bi7.5Se13
Mercouri Kanatzidis; Duck-Young Chung; Jun-Ho Kim; Chemical Communications  (2006) –; doi:10.1039/b516790f

data_7100873
_publ_section_title
;
A New Homologous Series A2[M5+nSe9+n] (A = Rb, Cs; M =
Bi, Ag, Cd) and its members ?-CsBi3Se5, Rb2CdBi6Se11, CsAg0.5Bi3.5Se6,
CsCdBi3Se6, Rb2Ag1.5Bi7.5Se13, and Cs2Ag1.5Bi7.5Se13
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516790f
_journal_year                    2006
_chemical_formula_moiety         CsBi3Se5
_chemical_formula_sum            'Bi3 Cs Se5'
_chemical_formula_weight         1154.65
_chemical_name_common            CsBi3Se5
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.740(13)
_cell_length_b                   4.171(2)
_cell_length_c                   12.472(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1183.0(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.483
_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               7100873
A New Homologous Series A2[M5+nSe9+n] (A = Rb, Cs; M = Bi, Ag, Cd) and its members ?-CsBi3Se5, Rb2CdBi6Se11, CsAg0.5Bi3.5Se6, CsCdBi3Se6, Rb2Ag1.5Bi7.5Se13, and Cs2Ag1.5Bi7.5Se13
Mercouri Kanatzidis; Duck-Young Chung; Jun-Ho Kim; Chemical Communications  (2006) –; doi:10.1039/b516790f

data_7100874
_publ_section_title
;
A New Homologous Series A2[M5+nSe9+n] (A = Rb, Cs; M =
Bi, Ag, Cd) and its members ?-CsBi3Se5, Rb2CdBi6Se11, CsAg0.5Bi3.5Se6,
CsCdBi3Se6, Rb2Ag1.5Bi7.5Se13, and Cs2Ag1.5Bi7.5Se13
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516790f
_journal_year                    2006
_chemical_formula_moiety         Rb2Ag1.5Bi7.5Se13
_chemical_formula_sum            'Ag1.5 Bi7.5 Rb2 Se13'
_chemical_formula_weight         2927.58
_chemical_name_common            Rb2Ag1.5Bi7.5Se13
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.386(2)
_cell_length_b                   27.642(5)
_cell_length_c                   4.1107(8)
_cell_measurement_temperature    173(2)
_cell_volume                     1407.4(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    6.906
_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        'Ag1.50 Bi7.50 Rb2 Se13'
_cod_database_code               7100874
A New Homologous Series A2[M5+nSe9+n] (A = Rb, Cs; M = Bi, Ag, Cd) and its members ?-CsBi3Se5, Rb2CdBi6Se11, CsAg0.5Bi3.5Se6, CsCdBi3Se6, Rb2Ag1.5Bi7.5Se13, and Cs2Ag1.5Bi7.5Se13
Mercouri Kanatzidis; Duck-Young Chung; Jun-Ho Kim; Chemical Communications  (2006) –; doi:10.1039/b516790f

data_7100875
_publ_section_title
;
A New Homologous Series A2[M5+nSe9+n] (A = Rb, Cs; M =
Bi, Ag, Cd) and its members ?-CsBi3Se5, Rb2CdBi6Se11, CsAg0.5Bi3.5Se6,
CsCdBi3Se6, Rb2Ag1.5Bi7.5Se13, and Cs2Ag1.5Bi7.5Se13
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516790f
_journal_year                    2006
_chemical_formula_moiety         Rb2CdBi6Se11
_chemical_formula_sum            'Bi6 Cd Rb2 Se11'
_chemical_formula_weight         2407.22
_chemical_name_common            Rb2CdBi6Se11
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.385(3)
_cell_length_b                   23.839(6)
_cell_length_c                   4.1124(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1214.1(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.581
_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               7100875
A New Homologous Series A2[M5+nSe9+n] (A = Rb, Cs; M = Bi, Ag, Cd) and its members ?-CsBi3Se5, Rb2CdBi6Se11, CsAg0.5Bi3.5Se6, CsCdBi3Se6, Rb2Ag1.5Bi7.5Se13, and Cs2Ag1.5Bi7.5Se13
Mercouri Kanatzidis; Duck-Young Chung; Jun-Ho Kim; Chemical Communications  (2006) –; doi:10.1039/b516790f

data_7100876
_publ_section_title
;
A New Homologous Series A2[M5+nSe9+n] (A = Rb, Cs; M =
Bi, Ag, Cd) and its members ?-CsBi3Se5, Rb2CdBi6Se11, CsAg0.5Bi3.5Se6,
CsCdBi3Se6, Rb2Ag1.5Bi7.5Se13, and Cs2Ag1.5Bi7.5Se13
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516790f
_journal_year                    2006
_chemical_formula_moiety         CsCdBi3Se6
_chemical_formula_sum            'Bi3 Cd Cs Se6'
_chemical_formula_weight         1347.19
_chemical_name_common            CsCdBi3Se6
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.512(8)
_cell_length_b                   4.1192(13)
_cell_length_c                   12.396(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1353.7(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.604
_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               7100876
New ambient pressure organic superconductors kH- and kL-(DMEDO-TSeF)2[Au(CN)4](THF)
Takashi Shirahata; Tatsuro Imakubo; Megumi Kibune; Chemical Communications  (2006) –; doi:10.1039/b516940b

data_7100877
_publ_section_title
;
New ambient pressure organic superconductors kH- and
kL-(DMEDO-TSeF)2[Au(CN)4](THF)
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516940b
_journal_year                    2006
_chemical_formula_moiety         kappaH-(DMEDO-TSeF)2[Au(CN)4](THF)
_chemical_formula_sum            'C28 H28 Au N4 O5 Se8'
_chemical_formula_weight         1329.19
_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                 95.033(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   38.868(6)
_cell_length_b                   11.1527(16)
_cell_length_c                   8.2788(12)
_cell_measurement_temperature    293
_cell_volume                     3574.9(9)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    2.470
_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               7100877
New ambient pressure organic superconductors kH- and kL-(DMEDO-TSeF)2[Au(CN)4](THF)
Takashi Shirahata; Tatsuro Imakubo; Megumi Kibune; Chemical Communications  (2006) –; doi:10.1039/b516940b

data_7100878
_publ_section_title
;
New ambient pressure organic superconductors kH- and
kL-(DMEDO-TSeF)2[Au(CN)4](THF)
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516940b
_journal_year                    2006
_chemical_formula_sum            'C28 H28 Au N4 O5 Se8'
_chemical_formula_weight         1329.19
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.3269(13)
_cell_length_b                   38.638(6)
_cell_length_c                   11.1203(17)
_cell_measurement_temperature    293
_cell_volume                     3577.8(9)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    2.468
_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               7100878