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Information card for entry 4108227
Preview
Coordinates | 4108227.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H22 Si2 V |
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Calculated formula | C16 H22 Si2 V |
SMILES | [V]123456789%10%11[c]%12([cH]1[cH]2[cH]3[cH]7[cH]6%12)[Si](C)(C)[Si](C)(C)[c]18[cH]9[cH]4[cH]5[cH]%11[cH]%101 |
Title of publication | Synthesis, Reactivity, and Electronic Structure of [n]Vanadoarenophanes: An Experimental and Theoretical Study |
Authors of publication | Holger Braunschweig; Martin Kaupp; Christopher J. Adams; Thomas Kupfer; Krzysztof Radacki; Sandra Schinzel |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 11376 - 11393 |
a | 13.2337 ± 0.0004 Å |
b | 11.8332 ± 0.0003 Å |
c | 9.8015 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1534.89 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0282 |
Residual factor for significantly intense reflections | 0.0269 |
Weighted residual factors for significantly intense reflections | 0.0737 |
Weighted residual factors for all reflections included in the refinement | 0.0748 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4108227.html
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