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Information card for entry 4079688
Preview
Coordinates | 4079688.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H51 N3 Si Zr |
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Calculated formula | C54 H51 N3 Si Zr |
SMILES | [Zr]123456789(N=C=C(c%10ccccc%10)c%10ccccc%10)([N]%10C(=C8c8ccccc8)C8=C(N[Si](C8(C=%10c8ccccc8)c8ccccc8)(C)C)C(C)(C)C)([cH]8[cH]1[cH]2[cH]4[cH]38)[cH]1[cH]9[cH]5[cH]6[cH]71 |
Title of publication | Reactivity of Seven-Membered Azazirconacycloallenes and Four-Membered Zirconacycles toward Diphenylacetonitrile |
Authors of publication | Zhao, Jing; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 23 |
Pages of publication | 8370 |
a | 11.241 ± 0.002 Å |
b | 13.366 ± 0.003 Å |
c | 18.174 ± 0.004 Å |
α | 93.24 ± 0.03° |
β | 104.97 ± 0.03° |
γ | 109.65 ± 0.03° |
Cell volume | 2453.3 ± 1.1 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 | 0.1885 |
Residual factor for significantly intense reflections | 0.0629 |
Weighted residual factors for significantly intense reflections | 0.086 |
Weighted residual factors for all reflections included in the refinement | 0.0937 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
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/4079688.html
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Users of the data should acknowledge the original authors of the
structural data.