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Information card for entry 4069600
Preview
Coordinates | 4069600.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H34 B10 Si Zr |
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Calculated formula | C23 H34 B10 Si Zr |
SMILES | [Si](C1=C([C]2345[C]678([Zr]9%10%11%12%13%14%15%161([cH]1[cH]%12[cH]%11[cH]%10[cH]91)[cH]1[cH]%13[cH]%14[cH]%15[cH]%161)[BH]192[BH]2%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]392[BH]271[BH]845[BH]6%1132)c1ccccc1)(C)(C)C |
Title of publication | Reaction of Zirconocene−Carboryne Precursor with Alkynes: An Efficient Route to Zirconacyclopentenes Incorporating a Carboranyl Unit |
Authors of publication | Ren, Shikuo; Chan, Hoi-Shan; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 14 |
Pages of publication | 4106 |
a | 10.2437 ± 0.0014 Å |
b | 10.566 ± 0.0015 Å |
c | 14.281 ± 0.002 Å |
α | 105.067 ± 0.002° |
β | 100.162 ± 0.002° |
γ | 109.886 ± 0.002° |
Cell volume | 1342.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0564 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.1129 |
Weighted residual factors for all reflections included in the refinement | 0.1227 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/4069600.html
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Users of the data should acknowledge the original authors of the
structural data.