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Information card for entry 4075492
Preview
Coordinates | 4075492.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (?5-cyclopentadienyl)iron(dicarbonyl)hexamethyltrisilacyclopentane |
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Formula | C13 H22 Fe O2 Si3 |
Calculated formula | C13 H22 Fe O2 Si3 |
SMILES | [Fe]12345([Si]([Si]([Si]([c]61[cH]5[cH]4[cH]3[cH]26)(C)C)(C)C)(C)C)(C#[O])C#[O] |
Title of publication | Photochemical Ring-Contraction of a Tetrasilaferracyclohexane of the (η5-C5H4)Fe(CO)2System to Trisilaferracyclopentanes |
Authors of publication | Sharma, Hemant K.; Cervantes-Lee, Francisco; Pannell, Keith H. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 16 |
Pages of publication | 3969 |
a | 13.183 ± 0.005 Å |
b | 10.707 ± 0.005 Å |
c | 13.35 ± 0.005 Å |
α | 90° |
β | 106.33 ± 0.03° |
γ | 90° |
Cell volume | 1808.3 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0633 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.0989 |
Weighted residual factors for all reflections included in the refinement | 0.1103 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4075492.html
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