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Information card for entry 2216440
Preview
Coordinates | 2216440.cif |
---|---|
Structure factors | 2216440.hkl |
Original IUCr paper | HTML |
Chemical name | Hexa-μ~2~-isopropoxido-κ^12^<i>O</i>:<i>O</i>- hexaisopropoxidotetraaluminium(III) |
---|---|
Formula | C36 H84 Al4 O12 |
Calculated formula | C36 H84 Al4 O12 |
SMILES | C(C)(O[Al]1([O](C(C)C)[Al]23([O]1C(C)C)([O](C(C)C)[Al]([O]3C(C)C)(OC(C)C)OC(C)C)[O](C(C)C)[Al]([O]2C(C)C)(OC(C)C)OC(C)C)OC(C)C)C |
Title of publication | Hexa-μ~2~-isopropoxido-κ^12^<i>O</i>:<i>O</i>-hexaisopropoxidotetraaluminium(III) |
Authors of publication | Mohammadnezhad, Gholamhossein Sh.; Amini, Mostafa M.; Khavasi, Hamid Reza; Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 12 |
Pages of publication | m3049 - m3049 |
a | 12.331 ± 0.002 Å |
b | 12.331 ± 0.002 Å |
c | 31.641 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4811.1 ± 1.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 96 |
Hermann-Mauguin space group symbol | P 43 21 2 |
Hall space group symbol | P 4nw 2abw |
Residual factor for all reflections | 0.0438 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.0952 |
Weighted residual factors for all reflections included in the refinement | 0.0981 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/2216440.html
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Users of the data should acknowledge the original authors of the
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