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Information card for entry 4081009
Preview
Coordinates | 4081009.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H51 I N4 Si2 Zr |
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Calculated formula | C33 H51 I N4 Si2 Zr |
SMILES | I[Zr]12(N([Si](C)(C)C(C)(C)C)CC(CN1[Si](C)(C)C(C)(C)C)(C)c1[n]2cccc1)N(c1ccccc1)c1ccccc1 |
Title of publication | Zirconium Hydrazides as Metallanitrene Synthons: Release of Molecular N2from a Hydrazinediido Complex Induced by Oxidative N‒N Bond Cleavage |
Authors of publication | Gehrmann, Thorsten; Lloret-Fillol, Julio; Herrmann, Heike; Wadepohl, Hubert; Gade, Lutz H. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 14 |
Pages of publication | 3877 |
a | 9.783 ± 0.005 Å |
b | 10.379 ± 0.005 Å |
c | 19.01 ± 0.009 Å |
α | 91.185 ± 0.008° |
β | 99.162 ± 0.012° |
γ | 102.473 ± 0.011° |
Cell volume | 1857.6 ± 1.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0378 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.0673 |
Weighted residual factors for all reflections included in the refinement | 0.0713 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation probe | x-ray |
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/4081009.html
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Users of the data should acknowledge the original authors of the
structural data.