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Information card for entry 4072038
Preview
Coordinates | 4072038.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H58 N3 Sc Si3 |
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Calculated formula | C24 H58 N3 Sc Si3 |
SMILES | [Sc]12([N]3(C)CC[N]1(C)CC([N]12CCCC1)(C)C3)(C[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C |
Title of publication | Neutral and Cationic Rare Earth Metal Alkyl and Benzyl Compounds with the 1,4,6-Trimethyl-6-pyrrolidin-1-yl-1,4-diazepane Ligand and Their Performance in the Catalytic Hydroamination/Cyclization of Aminoalkenes |
Authors of publication | Ge, Shaozhong; Meetsma, Auke; Hessen, Bart |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 20 |
Pages of publication | 5339 |
a | 18.668 ± 0.002 Å |
b | 17.479 ± 0.002 Å |
c | 19.473 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6354 ± 1.2 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0445 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.0811 |
Weighted residual factors for all reflections included in the refinement | 0.0853 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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