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Information card for entry 4129068
Preview
Coordinates | 4129068.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53.5 H55 Al Cl3 N4 P |
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Calculated formula | C53.5 H55 Al Cl3 N4 P |
SMILES | ClCCl.ClCCl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Al]123n4c5C(c6n3c(C(c3n2c(C(c2n1c(C(c4cc5)(C)C)cc2)(C)C)cc3)(C)C)cc6)(C)C |
Title of publication | Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity. |
Authors of publication | Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
a | 25.455 ± 0.004 Å |
b | 16.621 ± 0.003 Å |
c | 23.761 ± 0.004 Å |
α | 90° |
β | 107.829 ± 0.011° |
γ | 90° |
Cell volume | 9570 ± 3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 1 K |
Number of distinct elements | 6 |
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 | 0.0753 |
Residual factor for significantly intense reflections | 0.0601 |
Weighted residual factors for significantly intense reflections | 0.1619 |
Weighted residual factors for all reflections included in the refinement | 0.1724 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4129068.html
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