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Information card for entry 2242587
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| Coordinates | 2242587.cif |
|---|---|
| Structure factors | 2242587.hkl |
| Original IUCr paper | HTML |
| Common name | tricarbonyl-(1,3-diphenyl-6-(3-vinylphenyl)fulvene) chromium (0) |
|---|---|
| Chemical name | Tricarbonyl[1,3-diphenyl-6-(3-vinylphenyl)fulvene]chromium(0) |
| Formula | C29 H20 Cr O3 |
| Calculated formula | C29 H20 Cr O3 |
| SMILES | [Cr]12345([C]6(=[CH]1[C]2(=[CH]3[C]46=[CH]5c1cccc(c1)C=C)c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O] |
| Title of publication | Coordination complexes of chromium(0) with a series of 1,3-diphenyl-6-arylfulvenes |
| Authors of publication | Peloquin, Andrew J.; Smith, Madelyn B.; O'Connell, Bryce J.; Ghiassi, Kamran B.; Balaich, Gary J.; Iacono, Scott T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 9 |
| Pages of publication | 1190 - 1194 |
| a | 15.624 ± 0.004 Å |
| b | 8.149 ± 0.002 Å |
| c | 17.396 ± 0.004 Å |
| α | 90° |
| β | 90.706 ± 0.003° |
| γ | 90° |
| Cell volume | 2214.7 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0612 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.0971 |
| Weighted residual factors for all reflections included in the refinement | 0.1089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209713 (current) | 2018-08-15 | cif/ hkl/ Adding structures of 2242586, 2242587, 2242588 via cif-deposit CGI script. |
2242587.cif 2242587.hkl |
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Users of the data should acknowledge the original authors of the
structural data.