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Information card for entry 2202319
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| Coordinates | 2202319.cif |
|---|---|
| Structure factors | 2202319.hkl |
| Original IUCr paper | HTML |
| Formula | C12 H10 Ni2 O2 |
|---|---|
| Calculated formula | C12 H10 Ni2 O2 |
| Title of publication | Low temperature redetermination of the structure of [Ni(CO)(η^5^-C~5~H~5~)]~2~ |
| Authors of publication | Evans, Cameron; Farrugia, Louis |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 7 |
| Pages of publication | m510 - m511 |
| a | 7.7498 ± 0.0001 Å |
| b | 10.8752 ± 0.0001 Å |
| c | 13.4942 ± 0.0002 Å |
| α | 76.776 ± 0.001° |
| β | 81.112 ± 0.001° |
| γ | 78.449 ± 0.001° |
| Cell volume | 1077.65 ± 0.02 Å3 |
| Cell temperature | 115 ± 2 K |
| Ambient diffraction temperature | 115 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.027 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.0636 |
| Weighted residual factors for all reflections included in the refinement | 0.0646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.