LMucko/crystallography-open-database huggingface dataset:
Gas-Solid Structure Differences in Haloacetonitrile-BF3...
Halfen, Jason; Phillips, James; Inorganic Chemistry  (2006) –; doi:10.1021/ic051491x

data_4300536
_publ_section_title
;
Gas-Solid Structure Differences in Haloacetonitrile-BF3...
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051491x
_journal_year                    2006
_chemical_formula_sum            'C2 H2 B F4 N'
_chemical_formula_weight         126.86
_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                 99.00(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.173(1)
_cell_length_b                   5.754(1)
_cell_length_c                   7.927(1)
_cell_measurement_temperature    173(2)
_cell_volume                     233.05(8)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.809
_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               4300536
Gas-Solid Structure Differences in Haloacetonitrile-BF3...
Halfen, Jason; Phillips, James; Inorganic Chemistry  (2006) –; doi:10.1021/ic051491x

data_4300537
_publ_section_title
;
Gas-Solid Structure Differences in Haloacetonitrile-BF3...
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051491x
_journal_year                    2006
_chemical_formula_sum            'C2 H2 B Cl F3 N'
_chemical_formula_weight         143.31
_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                103.66(1)
_cell_angle_beta                 90.39(1)
_cell_angle_gamma                90.39(1)
_cell_formula_units_Z            4
_cell_length_a                   7.499(1)
_cell_length_b                   7.682(2)
_cell_length_c                   9.275(1)
_cell_measurement_temperature    173(2)
_cell_volume                     519.16(16)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.833
_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               4300537
Gas-Solid Structure Differences in Haloacetonitrile-BF3...
Halfen, Jason; Phillips, James; Inorganic Chemistry  (2006) –; doi:10.1021/ic051491x

data_4300538
_publ_section_title
;
Gas-Solid Structure Differences in Haloacetonitrile-BF3...
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051491x
_journal_year                    2006
_chemical_formula_sum            'C2 H2 B F3 I N'
_chemical_formula_weight         234.76
_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                 108.96(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.947(2)
_cell_length_b                   8.240(1)
_cell_length_c                   7.671(4)
_cell_measurement_temperature    173(2)
_cell_volume                     594.6(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.622
_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               4300538
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051493h

data_4300539
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051493h
_journal_year                    2006
_chemical_formula_moiety         'C38 H63 N7 Mo O5 S4 '
_chemical_formula_sum            'C38 H63 Mo N7 O5 S4'
_chemical_formula_weight         922.13
_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                 100.936(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.189(4)
_cell_length_b                   14.488(4)
_cell_length_c                   21.159(4)
_cell_measurement_temperature    296
_cell_volume                     4571(2)
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    1.340
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300539
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051493h

data_4300540
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051493h
_journal_year                    2006
_chemical_formula_moiety         'C156 H132 N12 Mo O5 P2 S4 '
_chemical_formula_sum            'C156 H132 Mo N12 O5 P2 S4'
_chemical_formula_weight         2540.86
_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                 93.81(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.071(6)
_cell_length_b                   14.944(2)
_cell_length_c                   35.217(8)
_cell_measurement_temperature    296
_cell_volume                     13691(5)
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    1.233
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300540
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051503e

data_4300541
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051503e
_journal_year                    2006
_chemical_formula_sum            'C106 H76 Au4 Cl4 Cu2 F12 O2 P6'
_chemical_formula_weight         2852.23
_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                 107.5050(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.0349(10)
_cell_length_b                   18.0306(14)
_cell_length_c                   19.9673(15)
_cell_measurement_temperature    153(2)
_cell_volume                     4818.9(6)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.966
_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               4300541
Linking Heteroleptic Cu(II) Dipyrromethene Complexes via Hydrogen Bonds, Coordinative Bonds and Covalent Bonds
Heinze, Katja; Reinhart, Anja; Inorganic Chemistry  (2006) –; doi:10.1021/ic0515047

data_4300542
_publ_section_title
;
Linking Heteroleptic Cu(II) Dipyrromethene Complexes via Hydrogen Bonds,
 Coordinative Bonds and Covalent Bonds
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0515047
_journal_year                    2006
_chemical_formula_moiety         'C22 H20 Cu N2 O4'
_chemical_formula_sum            'C22 H20 Cu N2 O4'
_chemical_formula_weight         439.94
_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                 105.81(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.144(2)
_cell_length_b                   23.902(5)
_cell_length_c                   8.3310(17)
_cell_measurement_temperature    200
_cell_volume                     1943.5(7)
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    1.504
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4300542
Linking Heteroleptic Cu(II) Dipyrromethene Complexes via Hydrogen Bonds, Coordinative Bonds and Covalent Bonds
Heinze, Katja; Reinhart, Anja; Inorganic Chemistry  (2006) –; doi:10.1021/ic0515047

data_4300543
_publ_section_title
;
Linking Heteroleptic Cu(II) Dipyrromethene Complexes via Hydrogen Bonds,
 Coordinative Bonds and Covalent Bonds
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0515047
_journal_year                    2006
_chemical_formula_moiety         'C24 H25 Cu N3 O3'
_chemical_formula_sum            'C24 H25 Cu N3 O3'
_chemical_formula_weight         467.01
_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                 114.51(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4560(19)
_cell_length_b                   36.660(7)
_cell_length_c                   6.8970(14)
_cell_measurement_temperature    200
_cell_volume                     2175.5(8)
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    1.426
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4300543
Linking Heteroleptic Cu(II) Dipyrromethene Complexes via Hydrogen Bonds, Coordinative Bonds and Covalent Bonds
Heinze, Katja; Reinhart, Anja; Inorganic Chemistry  (2006) –; doi:10.1021/ic0515047

data_4300544
_publ_section_title
;
Linking Heteroleptic Cu(II) Dipyrromethene Complexes via Hydrogen Bonds,
 Coordinative Bonds and Covalent Bonds
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0515047
_journal_year                    2006
_chemical_formula_moiety         'C20 H17 Cu N3 O4'
_chemical_formula_sum            'C20 H17 Cu N3 O4'
_chemical_formula_weight         426.91
_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                 93.21(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.917(3)
_cell_length_b                   8.9550(18)
_cell_length_c                   14.856(3)
_cell_measurement_temperature    200
_cell_volume                     1848.5(6)
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    1.534
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4300544
[Au(CN)4]- as Both an Intramolecular and Intermolecular Bidentate Ligand with [(tmeda)Cu(?-OH)] Dimers: From Antiferro- to Ferromagnetic Coupling in Polymorphs
Katz, Michael J.; Shorrock, Carolyn J.; Batchelor, Raymond J.; Leznoff, Daniel B.; Inorganic Chemistry  (2006) –; doi:10.1021/ic0515094

data_4300545
_publ_section_title
;
[Au(CN)4]- as Both an Intramolecular and Intermolecular
Bidentate Ligand with [(tmeda)Cu(?-OH)] Dimers:
From Antiferro- to Ferromagnetic Coupling in Polymorphs
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0515094
_journal_year                    2006
_chemical_formula_moiety         'C20 H34 Au2 Cu2 N12 O2'
_chemical_formula_sum            'C20 H34 Au2 Cu2 N12 O2'
_chemical_formula_weight         995.60
_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                76.411(13)
_cell_angle_beta                 82.953(13)
_cell_angle_gamma                64.964(14)
_cell_formula_units_Z            2
_cell_length_a                   9.7135(17)
_cell_length_b                   10.5792(19)
_cell_length_c                   17.429(2)
_cell_measurement_temperature    293
_cell_volume                     1576.8(5)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    2.097
_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               4300545
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0515094

data_4300546
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0515094
_journal_year                    2006
_chemical_formula_moiety         'C20 H34 Au2 Cu2 N12 O2'
_chemical_formula_sum            'C20 H34 Au2 Cu2 N12 O2'
_chemical_formula_weight         995.60
_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                64.35(2)
_cell_angle_beta                 76.27(2)
_cell_angle_gamma                79.26(2)
_cell_formula_units_Z            1
_cell_length_a                   8.465(2)
_cell_length_b                   10.274(2)
_cell_length_c                   10.468(2)
_cell_measurement_temperature    293
_cell_volume                     793.6(3)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    2.083
_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               4300546
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0515094

data_4300547
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0515094
_journal_year                    2006
_chemical_formula_moiety         'C17 H38 Au1 Cl1 Cu2 N8 O7'
_chemical_formula_sum            'C17 H38 Au Cl Cu2 N8 O7'
_chemical_formula_weight         826.05
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.030(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.4529(13)
_cell_length_b                   15.7403(16)
_cell_length_c                   11.3069(11)
_cell_measurement_temperature    293
_cell_volume                     1498.6(3)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.831
_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/m'
_cod_original_formula_sum        'C17 H38 Au1 Cl1 Cu2 N8 O7'
_cod_database_code               4300547
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0515103

data_4300548
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0515103
_journal_year                    2006
_chemical_formula_moiety         'C2 N2 Se2'
_chemical_formula_sum            'C2 N2 Se2'
_chemical_formula_weight         209.96
_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                   5.0448(11)
_cell_length_b                   6.4597(14)
_cell_length_c                   15.589(3)
_cell_measurement_temperature    125(2)
_cell_volume                     508.01(19)
_diffrn_ambient_temperature      125(2)
_exptl_crystal_density_diffrn    2.745
_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               4300548
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0515103

data_4300549
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0515103
_journal_year                    2006
_chemical_formula_sum            'C2 N2 Se3'
_chemical_formula_weight         288.92
_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                   10.054(2)
_cell_length_b                   13.332(3)
_cell_length_c                   4.4540(10)
_cell_measurement_temperature    125(2)
_cell_volume                     597.0(2)
_diffrn_ambient_temperature      125(2)
_exptl_crystal_density_diffrn    3.215
_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               4300549
Wei-Hsuan Chen; Eric W. Reinheimer; Kim R. Dunbar; Mohammed A. Omary; Inorganic Chemistry  (2006) –; doi:10.1021/ic051518c

data_4300550
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051518c
_journal_year                    2006
_chemical_formula_moiety         'C34 H42 N3 Pt S B F4'
_chemical_formula_sum            'C68 H84 B2 F8 N6 Pt2 S2'
_chemical_formula_weight         806.67
_space_group_IT_number           29
_space_group_name_Hall           'P 2c -2ac'
_space_group_name_H-M_alt        'P c a 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.910(12)
_cell_length_b                   19.829(13)
_cell_length_c                   15.930(9)
_cell_measurement_temperature    110(2)
_cell_volume                     6605(7)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.622
_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               4300550
Wei-Hsuan Chen; Eric W. Reinheimer; Kim R. Dunbar; Mohammed A. Omary; Inorganic Chemistry  (2006) –; doi:10.1021/ic051518c

data_4300551
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051518c
_journal_year                    2006
_chemical_formula_sum            'C39 H44 N7 O3 Pt'
_chemical_formula_weight         853.89
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.84(3)
_cell_length_b                   23.17(4)
_cell_length_c                   23.38(4)
_cell_measurement_temperature    110(2)
_cell_volume                     7499(22)
_diffrn_ambient_temperature      393(2)
_exptl_crystal_density_diffrn    1.481
_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               4300551
Unligated Diruthenium(II,II) Tetra(trifluoroacetate): The First X-Ray Structural Study, Thermal Compressibility, Lewis Acidity and Magnetism
Dikarev, Evgeny V.; Filatov, Alexander S.; Clerac, Rodolphe; Petrukhina, Marina A.; Inorganic Chemistry 45 (2006) 744–751; doi:10.1021/ic051537m

data_4300552
_publ_section_title
;
Unligated Diruthenium(II,II) Tetra(trifluoroacetate): The First X-Ray 
Structural Study, Thermal Compressibility, Lewis Acidity and Magnetism
;
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              744
_journal_page_last               751
_journal_paper_doi               10.1021/ic051537m
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'Ru2 (O2 C C F3)4'
_chemical_formula_sum            'C8 F12 O8 Ru2'
_chemical_formula_weight         654.22
_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                83.493(2)
_cell_angle_beta                 83.698(2)
_cell_angle_gamma                86.921(2)
_cell_formula_units_Z            1
_cell_length_a                   5.2485(6)
_cell_length_b                   8.6377(10)
_cell_length_c                   8.9147(10)
_cell_measurement_temperature    100(2)
_cell_volume                     398.77(8)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.724
_cod_database_code               4300552