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Information card for entry 1550470
Preview
Coordinates | 1550470.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H58 Al2 Br2 |
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Calculated formula | C34 H58 Al2 Br2 |
SMILES | Br[Al]1234([Al]5678(Br)[cH]9[c]5([c]6([cH]7[c]89C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]5([cH]1[c]2([c]3([cH]45)C(C)(C)C)C(C)(C)C)C(C)(C)C |
Title of publication | Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism |
Authors of publication | Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 10.367 ± 0.002 Å |
b | 12.452 ± 0.003 Å |
c | 15.704 ± 0.003 Å |
α | 69.094 ± 0.005° |
β | 88.918 ± 0.006° |
γ | 67.783 ± 0.005° |
Cell volume | 1737.3 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0987 |
Residual factor for significantly intense reflections | 0.08 |
Weighted residual factors for significantly intense reflections | 0.2567 |
Weighted residual factors for all reflections included in the refinement | 0.2664 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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