Information card for entry 4317287

Structure parameters

• Formula: C150 H102 N18 O6 Ru2
• Calculated formula: C150 H102 N18 O6 Ru2
• SMILES: c1cccc2c3cccc[n]3[Ru]34([n]12)([n]1ccccc1c1cccc[n]31)[n]1ccccc1c1cccc[n]41.N(C=O)(C)C.c12c3c4c5c6c1c1c7c8c6c6c9c%10c%11c%12c%13c%14c%15c%11c9c9c%11c%16c(c4c4c3c3c%17c2c1c1c2c%17c%17c3c3c4c%16c4c(c%15%11)c%14c%11c%14c(c%17c%11c34)c2c2c(c%13%14)c%12c(c8%10)c7c12)c9c56.c1ccccc1.N(C=O)(C)C.N(C=O)(C)C.c1cccc2c3cccc[n]3[Ru]34([n]12)([n]1ccccc1c1cccc[n]31)[n]1ccccc1c1cccc[n]41.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.c1ccccc1
• Title of publication: Establishment of Structure-Conductivity Relationship for Tris(2,2'-bipyridine) Ruthenium Ionic C60 Salts
• Authors of publication: Jie Hong; Matthew P. Shores; C. Michael Elliott
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11378 - 11385
• a: 13.9063 ± 0.0002 Å
• b: 13.9063 ± 0.0002 Å
• c: 99.067 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16591.4 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2056
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No