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Information card for entry 4317287
Preview
Coordinates | 4317287.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C150 H102 N18 O6 Ru2 |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/4317287.html
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