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Information card for entry 4104233
Preview
Coordinates | 4104233.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Hexa(di-tert.-butylphoshan)alan(4) |
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Chemical name | Hexa(di-tert.-butylphoshan)alan(4) |
Formula | C48 H108 Al4 P6 |
Calculated formula | C48 H108 Al4 P6 |
SMILES | CC(C)(C)P(C(C)(C)C)[Al]12[P](C(C)(C)C)(C(C)(C)C)[Al]3(P(C(C)(C)C)C(C)(C)C)[Al]1([P](C(C)(C)C)(C(C)(C)C)[Al]23P(C(C)(C)C)C(C)(C)C)P(C(C)(C)C)C(C)(C)C |
Title of publication | Al4(PtBu2)6- a Derivative of Al4H6- and Other Al4 Species: A Challenge for Bonding Interpretation between Zintl Ions and Metalloid Clusters |
Authors of publication | Patrick Henke; Michael Huber; Jochen Steiner; Kit Bowen; Bryan Eichhorn; Hansgeorg Schnöckel |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 5698 - 5704 |
a | 21.104 ± 0.0014 Å |
b | 12.4808 ± 0.0008 Å |
c | 23.3842 ± 0.0015 Å |
α | 90° |
β | 96.406 ± 0.005° |
γ | 90° |
Cell volume | 6120.8 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0796 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0746 |
Weighted residual factors for all reflections included in the refinement | 0.0828 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.827 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4104233.html
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