LMucko/crystallography-open-database huggingface dataset:
Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes
Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio; Inorganic Chemistry 44 (2005) 336–351; doi:10.1021/ic0490268

data_4301011
_publ_section_title
;
 Electrochemical Synthesis and Structural Characterization of Silver(I)
 Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity:
 Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide
 Group on the Structure of the Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              336
_journal_page_last               351
_journal_paper_doi               10.1021/ic0490268
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C13 H14 N2 O2 S'
_chemical_formula_sum            'C13 H14 N2 O2 S'
_chemical_formula_weight         262.32
_chemical_name_common
(4-methylphenyl)sulfonyl)-imino-1H-4-methyl-2-pyridine
_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                 102.689(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.8901(9)
_cell_length_b                   15.5093(13)
_cell_length_c                   15.8472(14)
_cell_measurement_temperature    293(2)
_cell_volume                     2611.2(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.335
_cod_duplicate_entry             4308411
_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_Hall     '-P 2yn '
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4301011
Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes
Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio; Inorganic Chemistry 44 (2005) 336–351; doi:10.1021/ic0490268

data_4301012
_publ_section_title
;
 Electrochemical Synthesis and Structural Characterization of Silver(I)
 Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity:
 Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide
 Group on the Structure of the Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              336
_journal_page_last               351
_journal_paper_doi               10.1021/ic0490268
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C13 H13 Ag N2 O2 S'
_chemical_formula_weight         369.18
_chemical_name_common
;
Catena ((N-(3-methyl-2-pyridyl-kappaN)-(4-
methylphenyl)sulfonamido-kappaN)silver(i))
;
_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                95.041(2)
_cell_angle_beta                 94.465(2)
_cell_angle_gamma                102.787(2)
_cell_formula_units_Z            2
_cell_length_a                   6.2951(6)
_cell_length_b                   8.2405(8)
_cell_length_c                   13.7554(13)
_cell_measurement_temperature    293(2)
_cell_volume                     689.68(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.778
_cod_duplicate_entry             4308412
_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_sg_symbol_Hall     '-P 1 '
_cod_database_code               4301012
Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes
Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio; Inorganic Chemistry 44 (2005) 336–351; doi:10.1021/ic0490268

data_4301013
_publ_section_title
;
 Electrochemical Synthesis and Structural Characterization of Silver(I)
 Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity:
 Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide
 Group on the Structure of the Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              336
_journal_page_last               351
_journal_paper_doi               10.1021/ic0490268
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C15 H17 Ag N2 O2 S'
_chemical_formula_weight         397.24
_chemical_name_common
;
Catena ((N-(3-methyl-2-pyridyl-kappaN)-(2,4,6-
trimethylphenyl)sulfonamido-kappaN)silver(i))
;
_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                97.131(15)
_cell_angle_beta                 93.498(14)
_cell_angle_gamma                108.003(15)
_cell_formula_units_Z            2
_cell_length_a                   7.960(6)
_cell_length_b                   8.294(6)
_cell_length_c                   12.598(10)
_cell_measurement_temperature    293(2)
_cell_volume                     780.5(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.690
_cod_duplicate_entry             4308413
_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_sg_symbol_Hall     '-P 1  '
_cod_database_code               4301013
Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes
Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio; Inorganic Chemistry 44 (2005) 336–351; doi:10.1021/ic0490268

data_4301014
_publ_section_title
;
 Electrochemical Synthesis and Structural Characterization of Silver(I)
 Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity:
 Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide
 Group on the Structure of the Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              336
_journal_page_last               351
_journal_paper_doi               10.1021/ic0490268
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C60 H68 Ag4 N8 O8 S4'
_chemical_formula_weight         1588.94
_chemical_name_common
;
Tetrakis((N-(3-methyl-2-pyridyl-kappaN)-(2,4,6-
trimethylphenyl)sulfonamido-kappaN)silver(i))
;
_space_group_IT_number           43
_space_group_name_Hall           'F 2 -2d'
_space_group_name_H-M_alt        'F d d 2'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   32.464(4)
_cell_length_b                   58.645(7)
_cell_length_c                   13.3568(14)
_cell_measurement_temperature    293(2)
_cell_volume                     25429(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.660
_cod_duplicate_entry             4308414
_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_sg_symbol_Hall     'F 2 -2d '
_cod_database_code               4301014
Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes
Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio; Inorganic Chemistry 44 (2005) 336–351; doi:10.1021/ic0490268

data_4301015
_publ_section_title
;
 Electrochemical Synthesis and Structural Characterization of Silver(I)
 Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity:
 Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide
 Group on the Structure of the Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              336
_journal_page_last               351
_journal_paper_doi               10.1021/ic0490268
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C60 H68 Ag4 N8 O8 S4'
_chemical_formula_weight         1588.94
_chemical_name_common
;
Tetrakis((N-(6-methyl-2-pyridyl-kappaN)-(2,4,6-
trimethylphenyl)sulfonamido-kappaN)silver(i))
;
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.6997(13)
_cell_length_b                   15.6997(13)
_cell_length_c                   25.219(3)
_cell_measurement_temperature    293(2)
_cell_volume                     6216.0(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.698
_cod_duplicate_entry             4308415
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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_Hall     'I 4bw -1bw '
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               4301015
Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes
Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio; Inorganic Chemistry 44 (2005) 336–351; doi:10.1021/ic0490268

data_4301016
_publ_section_title
;
 Electrochemical Synthesis and Structural Characterization of Silver(I)
 Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity:
 Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide
 Group on the Structure of the Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              336
_journal_page_last               351
_journal_paper_doi               10.1021/ic0490268
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C15 H17 Ag N2 O2 S'
_chemical_formula_weight         397.24
_chemical_name_common
;
Bis((N-(6-methyl-2-pyridyl-kappaN)-(2,4,6-
trimethylphenyl)sulfonamido-kappaN)silver(i))
;
_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                 115.226(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.007(4)
_cell_length_b                   6.9006(12)
_cell_length_c                   21.052(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3155.0(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.673
_cod_duplicate_entry             4308416
_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_Hall     '-C 2yc  '
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4301016
Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes
Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio; Inorganic Chemistry 44 (2005) 336–351; doi:10.1021/ic0490268

data_4301017
_publ_section_title
;
 Electrochemical Synthesis and Structural Characterization of Silver(I)
 Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity:
 Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide
 Group on the Structure of the Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              336
_journal_page_last               351
_journal_paper_doi               10.1021/ic0490268
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C27 H25 Ag N4 O2 S'
_chemical_formula_weight         577.44
_chemical_name_common
;
Bis((1,10-phenanthrolina-kappa$2!N)(N-(3-methyl-2-pyridyl-
kappaN)-(2,4,6-trimethylphenyl)sulfonamido-kappaN)silver(i))
;
_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                84.481(3)
_cell_angle_beta                 88.170(3)
_cell_angle_gamma                62.599(2)
_cell_formula_units_Z            2
_cell_length_a                   10.6773(12)
_cell_length_b                   10.8816(11)
_cell_length_c                   12.1176(12)
_cell_measurement_temperature    293(2)
_cell_volume                     1244.0(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.542
_cod_duplicate_entry             4308417
_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               4301017
Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes
Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio; Inorganic Chemistry 44 (2005) 336–351; doi:10.1021/ic0490268

data_4301018
_publ_section_title
;
 Electrochemical Synthesis and Structural Characterization of Silver(I)
 Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity:
 Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide
 Group on the Structure of the Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              336
_journal_page_last               351
_journal_paper_doi               10.1021/ic0490268
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C42 H42 Ag2 N6 O4 S2'
_chemical_formula_weight         974.68
_chemical_name_common
;
(1,10-Phenanthrolina-kappa$2!N)Bis((N-(6-methyl-2-pyridyl-
kappaN)-(2,4,6-trimethylphenyl)sulfonamido-kappaN)silver(i))
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                77.842(5)
_cell_angle_beta                 75.228(4)
_cell_angle_gamma                89.953(13)
_cell_formula_units_Z            2
_cell_length_a                   10.3032(13)
_cell_length_b                   13.0738(18)
_cell_length_c                   17.166(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2182.3(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.483
_cod_duplicate_entry             4308418
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-10

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               4301018
Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes
Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio; Inorganic Chemistry 44 (2005) 336–351; doi:10.1021/ic0490268

data_4301019
_publ_section_title
;
 Electrochemical Synthesis and Structural Characterization of Silver(I)
 Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity:
 Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide
 Group on the Structure of the Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              336
_journal_page_last               351
_journal_paper_doi               10.1021/ic0490268
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C23 H21 Ag N4 O2 S'
_chemical_formula_weight         525.37
_chemical_name_common
;
Bis((2,2'-bipyridine-kappa$2!N)(N-(4-methyl-2-pyridyl-kappaN)-
(4-methylphenyl)sulfonamido-kappaN)silver(i))
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                71.869(2)
_cell_angle_beta                 76.127(2)
_cell_angle_gamma                66.900(2)
_cell_formula_units_Z            2
_cell_length_a                   9.6451(10)
_cell_length_b                   10.4805(10)
_cell_length_c                   12.5890(13)
_cell_measurement_temperature    293(2)
_cell_volume                     1102.29(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.583
_cod_duplicate_entry             4308410
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-10

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               4301019
Enhanced Photoluminescence from Group 14 Metalloles in Aggregated and Solid Solutions
Tracy, Henry J.; Mullin, Jerome L.; Klooster, Wim T.; Martin, James A.; Haug, Judith; Wallace, Scott; Rudloe, Isaac; Watts, Kimberly; Inorganic Chemistry 44 (2005) 2003–2011; doi:10.1021/ic049034o

data_4301020
_publ_section_title
;
 Enhanced Photoluminescence from Group 14 Metalloles in Aggregated and
 Solid Solutions
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   6
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2003
_journal_page_last               2011
_journal_paper_doi               10.1021/ic049034o
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C40 H30 Ge'
_chemical_formula_weight         583.28
_space_group_IT_number           2
_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                100.23
_cell_angle_beta                 108.26
_cell_angle_gamma                77.05
_cell_formula_units_Z            2
_cell_length_a                   10.279
_cell_length_b                   16.529
_cell_length_c                   9.641
_cell_measurement_temperature    295(2)
_cell_volume                     1505.7
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    1.286
_cod_duplicate_entry             4308793
_cod_depositor_comments
;
The following automatic conversions were performed:

'_cell_measurement_temperature' value 'room temperature' was changed
to '295(2)' - the room/ambient temperature average [293;298] in
Kelvins(K) was taken.

'_atom_site_thermal_displace_type' tag value
'Uij' was replaced with 'Uani' value 41 time.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'H30 C40 Ge'
_cod_database_code               4301020