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Information card for entry 4106389
Preview
Coordinates | 4106389.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H58 Hf2 N2 Si |
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Calculated formula | C38 H58 Hf2 N2 Si |
SMILES | [HfH]12345678(N9[Hf]%10%11%12%13%14%15%16%17(N[SiH]9C9CCCCC9)([c]9([cH]%13[c]%12([cH]%11[c]%109C)C)C)[c]9([c]%14([cH]%15[c]%16([cH]%179)C)C)C)([c]9([cH]4[c]3([cH]2[c]19C)C)C)[c]1([c]5([cH]6[c]7([cH]81)C)C)C |
Title of publication | Dinitrogen Silylation and Cleavage with a Hafnocene Complex |
Authors of publication | Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 10406 - 10409 |
a | 9.28 ± 0.0019 Å |
b | 18.39 ± 0.004 Å |
c | 23.14 ± 0.005 Å |
α | 90° |
β | 92.77 ± 0.03° |
γ | 90° |
Cell volume | 3944.4 ± 1.5 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 | 0.0245 |
Residual factor for significantly intense reflections | 0.0202 |
Weighted residual factors for significantly intense reflections | 0.0472 |
Weighted residual factors for all reflections included in the refinement | 0.0489 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/4106389.html
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Users of the data should acknowledge the original authors of the
structural data.