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Information card for entry 4072041
Preview
Coordinates | 4072041.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H46 La N3 |
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Calculated formula | C33 H46 La N3 |
SMILES | [La]12([N]3(C)CC[N]1(C)CC([N]12CCCC1)(C)C3)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1 |
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 | 17.907 ± 0.003 Å |
b | 12.848 ± 0.002 Å |
c | 12.995 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2989.7 ± 0.8 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0947 |
Residual factor for significantly intense reflections | 0.0512 |
Weighted residual factors for significantly intense reflections | 0.0961 |
Weighted residual factors for all reflections included in the refinement | 0.1101 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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