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Information card for entry 4133980
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| Coordinates | 4133980.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(cyclopentadienyl)ruthenium(II) |
|---|---|
| Formula | C10 H10 Ru |
| Calculated formula | C10 H10 Ru |
| SMILES | [cH]12[cH]3[cH]4[Ru]5678913([cH]1[cH]5[cH]9[cH]8[cH]71)[cH]2[cH]46 |
| Title of publication | Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. |
| Authors of publication | Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| Journal volume | 142 |
| Journal issue | 4 |
| Pages of publication | 1731 - 1734 |
| a | 7.0229 ± 0.0001 Å |
| b | 8.8503 ± 0.0002 Å |
| c | 12.7614 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 793.18 ± 0.02 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.019 |
| Residual factor for significantly intense reflections | 0.0189 |
| Weighted residual factors for significantly intense reflections | 0.0531 |
| Weighted residual factors for all reflections included in the refinement | 0.0533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247531 (current) | 2020-02-04 | cif/ Updating files of 4133967, 4133968, 4133969, 4133970, 4133971, 4133972, 4133973, 4133974, 4133975, 4133976, 4133977, 4133978, 4133979, 4133980 Original log message: Adding full bibliography for 4133967--4133980.cif. |
4133980.cif |
| 246921 | 2020-01-17 | cif/ Adding structures of 4133967, 4133968, 4133969, 4133970, 4133971, 4133972, 4133973, 4133974, 4133975, 4133976, 4133977, 4133978, 4133979, 4133980 via cif-deposit CGI script. |
4133980.cif |
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Users of the data should acknowledge the original authors of the
structural data.