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Information card for entry 4063248
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4063248.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H37 Hf P Si2 |
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Calculated formula | C21 H37 Hf P Si2 |
SMILES | [Hf]123456789(C(=C1[Si](C)(C)C)[Si](C)(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91.P(C)(C)C |
Title of publication | Complexation of Bis(trimethylsilyl)acetylene by Decamethylhafnocene To Give the Hafnacyclopropene Cp*2Hf(η2-Me3SiC2SiMe3): An Unusually Strong Metal-Alkyne Interaction |
Authors of publication | Torsten Beweries; Vladimir V. Burlakov; Marc A. Bach; Perdita Arndt; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Pages of publication | 247 - 249 |
a | 17.049 ± 0.003 Å |
b | 10.321 ± 0.002 Å |
c | 14.731 ± 0.003 Å |
α | 90° |
β | 106.4 ± 0.03° |
γ | 90° |
Cell volume | 2486.6 ± 0.9 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0302 |
Residual factor for significantly intense reflections | 0.019 |
Weighted residual factors for significantly intense reflections | 0.0328 |
Weighted residual factors for all reflections included in the refinement | 0.034 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.902 |
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/4063248.html
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Users of the data should acknowledge the original authors of the
structural data.