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Information card for entry 2203888
Preview
Coordinates | 2203888.cif |
---|---|
Structure factors | 2203888.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[μ^2^-bis(diphenylphosphinoyl)methanido-κ^2^O:O']hexamethyldi-μ^3^-oxo- dialuminium(III) tetrahydrofuran disolvate |
---|---|
Formula | C64 H76 Al4 O8 P4 |
Calculated formula | C56 H60 Al4 O6 P4 |
SMILES | c1ccccc1P1(=[O][Al]([O]2[Al]3(OP(=C1)(c1ccccc1)c1ccccc1)([O]1[Al]([O]=P(c4ccccc4)(c4ccccc4)C=P(O[Al]231C)(c1ccccc1)c1ccccc1)(C)C)C)(C)C)c1ccccc1 |
Title of publication | Bis[μ^2^-bis(diphenylphosphinoyl)methanido-κ^2^<i>O</i>:<i>O</i>']hexamethyldi-μ^3^-oxo-tetraaluminium(III) tetrahydrofuran disolvate |
Authors of publication | Nassar, Roger; Noll, Bruce C.; Henderson, Kenneth W. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 7 |
Pages of publication | m1023 - m1024 |
a | 13.0087 ± 0.0002 Å |
b | 18.5644 ± 0.0003 Å |
c | 13.7312 ± 0.0002 Å |
α | 90° |
β | 102.117 ± 0.001° |
γ | 90° |
Cell volume | 3242.19 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0757 |
Residual factor for significantly intense reflections | 0.0615 |
Weighted residual factors for significantly intense reflections | 0.1657 |
Weighted residual factors for all reflections included in the refinement | 0.1734 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2203888.html
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