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CIF Information Card
Information card for 7101842
7101841 << 7101842 >> 7101843Preview
|
Coordinates |
7101842.cif |
Structure parameters
| Formula | - C28 H36 Ce - |
| Calculated formula | - C27.9972 H35.9964 Ce - |
| Title of publication | Bis(permethylpentalene)cerium‒another ambiguity in lanthanide oxidation state. |
| Authors of publication | Ashley, Andrew; Balazs, Gabor; Cowley, Andrew; Green, Jennifer; Booth, Corwin H; O'Hare, Dermot |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 15 |
| Pages of publication | 1515 - 1517 |
| a | 9.4931 ± 0.0003 Å |
| b | 9.4931 ± 0.0003 Å |
| c | 22.1762 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1730.75 ± 0.1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Sample thermal history | The material was crystallised at ambient temperature. A suitable crystal was cooled to 100K at a rate of 120 Khr^-1^ for single-crystal X-ray diffraction analysis. |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | R 3 2 :H |
| Hall symmetry space group | R 3 2" |
| Residual factor for all reflections | 0.0267 |
| Residual factor for observed reflections | 0.0267 |
| Weighted residual factors for all reflections | 0.0282 |
| Weighted residual factors for the observed reflections | 0.0282 |
| Weighted residual factors for all reflections included in the refinement | 0.0282 |
| Goodness-of-fit parameter for observed reflections | 0.9774 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |