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Information card for entry 1542459
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| Coordinates | 1542459.cif |
|---|---|
| Structure factors | 1542459.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (η^2^,η^2^-Cycloocta-1,5-diene)(η^5^-indenyl)cobalt(I) |
|---|---|
| Formula | C17 H19 Co |
| Calculated formula | C17 H19 Co |
| SMILES | [Co]1234567([c]89[c]4([cH]3[cH]2[cH]18)cccc9)[CH]1=[CH]5CC[CH]6=[CH]7CC1 |
| Title of publication | Crystal structure of (η^2^,η^2^-cycloocta-1,5-diene)(η^5^-indenyl)cobalt(I) |
| Authors of publication | Jungk, Phillip; Spannenberg, Anke; Hapke, Marko |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 1 |
| Pages of publication | x160027 |
| a | 8.0307 ± 0.0002 Å |
| b | 14.4939 ± 0.0003 Å |
| c | 22.2528 ± 0.0006 Å |
| α | 90° |
| β | 98.814 ± 0.002° |
| γ | 90° |
| Cell volume | 2559.55 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0265 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.0593 |
| Weighted residual factors for all reflections included in the refinement | 0.0603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542459.cif 1542459.hkl |
| 177506 | 2016-03-04 | cif/ Updating files of 1542459 Original log message: Adding full bibliography for 1542459.cif. |
1542459.cif 1542459.hkl |
| 176753 | 2016-02-19 | cif/1/54/ Fixing paper titles for structures from IUCrData journal. |
1542459.cif 1542459.hkl |
| 176515 | 2016-02-17 | cif/ hkl/ Adding structures of 1542459 via cif-deposit CGI script. |
1542459.cif 1542459.hkl |
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Users of the data should acknowledge the original authors of the
structural data.