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Information card for entry 4078148
Preview
Coordinates | 4078148.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H64 N6 Si2 Zr |
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Calculated formula | C47 H64 N6 Si2 Zr |
SMILES | [Zr]123(N([Si](C)(C)C(C)(C)C)CC(CN1[Si](C)(C)C(C)(C)C)(C)c1[n]2cccc1)(N(N(c1ccccc1)c1ccccc1)C(=Cc1ccccc1)C3)[n]1ccccc1 |
Title of publication | [2 + 2] Cycloaddition Products of Zirconium and Hafnium Hydrazinediides with Allenes and Heteroallenes and Their Thermally Induced Rearrangements |
Authors of publication | Gehrmann, Thorsten; Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 8 |
Pages of publication | 3346 |
a | 11.14 ± 0.005 Å |
b | 22.176 ± 0.01 Å |
c | 19.373 ± 0.008 Å |
α | 90° |
β | 104.619 ± 0.01° |
γ | 90° |
Cell volume | 4631 ± 4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0454 |
Residual factor for significantly intense reflections | 0.0322 |
Weighted residual factors for significantly intense reflections | 0.0759 |
Weighted residual factors for all reflections included in the refinement | 0.0844 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4078148.html
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