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Information card for entry 4064849
Preview
Coordinates | 4064849.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H36 N3 Sm |
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Calculated formula | C27 H36 N3 Sm |
SMILES | [Sm]123456789([N](C1[C]13C=CC=C[CH]2=1)(C)C)([CH]1=[C]4(C=CC=C1)C6[N]9(C)C)[CH]1=[C]5(C=CC=C1)C7[N]8(C)C |
Title of publication | Synthesis and Reactivity of Homoleptic α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes |
Authors of publication | Behrle, Andrew C.; Schmidt, Joseph A. R. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 15 |
Pages of publication | 3915 |
a | 14.281 ± 0.003 Å |
b | 11.527 ± 0.002 Å |
c | 15.021 ± 0.003 Å |
α | 90° |
β | 93.181 ± 0.004° |
γ | 90° |
Cell volume | 2468.9 ± 0.8 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0289 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for significantly intense reflections | 0.0629 |
Weighted residual factors for all reflections included in the refinement | 0.0648 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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