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Information card for entry 4325405
Preview
Coordinates | 4325405.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H70 Cl Cr O15 Ti3 |
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Calculated formula | C28 H70 Cl Cr O15 Ti3 |
SMILES | [Cr]123(Cl)([O]45[Ti](OCC)([O]([Ti]4(OCC)(OCC)([O]([Ti]5(OCC)(OCC)(OCC)[O]3CC)CC)[O]2CC)CC)(OCC)(OCC)[O]1CC)OCC |
Title of publication | Extending the Family of Titanium Heterometallic-oxo-alkoxy Cages |
Authors of publication | Salvador Eslava; Benjamin P. R. Goodwill; Mary McPartlin; Dominic S. Wright |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 5655 - 5662 |
a | 11.1957 ± 0.0001 Å |
b | 13.4346 ± 0.0002 Å |
c | 14.7906 ± 0.0002 Å |
α | 90.105 ± 0.001° |
β | 92.395 ± 0.001° |
γ | 94.951 ± 0.001° |
Cell volume | 2214.38 ± 0.05 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0721 |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for significantly intense reflections | 0.1442 |
Weighted residual factors for all reflections included in the refinement | 0.1588 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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