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Information card for entry 7027744
Preview
Coordinates | 7027744.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Ti17O24(OPri)20 |
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Formula | C60 H140 O44 Ti17 |
Calculated formula | C60 O44 Ti17 |
SMILES | [Ti]123[O]45[Ti]678([O]9[Ti]%10%11%12([O]%131[Ti]1%14%15([O]%16[Ti]9([O]6[Ti]65%16([O]5[Ti]9%16([O]%173[Ti]3%18([O]%19[Ti]%20%21%17([O]%17[Ti]4([O]6[Ti]5%17([O]9%21)OC(C)C)(O[Ti]456([O]92[Ti]2([O]%17[Ti]%219([O]3[Ti]%19([O]%204)([O]5%21)OC(C)C)([O]3[Ti]%13([O]%10[Ti]%173([O]%122)OC(C)C)(O%18)([O]%15C(C)C)OC(C)C)OC(C)C)(O7)([O]6C(C)C)OC(C)C)OC(C)C)([O]8C(C)C)OC(C)C)OC(C)C)([O]%16C(C)C)OC(C)C)(O%14)OC(C)C)OC(C)C)([O]%111)OC(C)C)OC(C)C)OC(C)C)OC(C)C |
Title of publication | A new polyoxo‒alkoxo titanium cluster of the Keggin family: synthesis and characterization by X-ray diffraction and NMR spectroscopy |
Authors of publication | Steunou, Nathalie; Kickelbick, Guido; Boubekeur, Kamal; Sanchez, Clément |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 21 |
Pages of publication | 3653 |
a | 26.321 ± 0.0001 Å |
b | 17.5855 ± 0.0001 Å |
c | 26.9526 ± 0.0003 Å |
α | 90° |
β | 114.158 ± 0.001° |
γ | 90° |
Cell volume | 11382.9 ± 0.17 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.2269 |
Residual factor for significantly intense reflections | 0.1467 |
Weighted residual factors for significantly intense reflections | 0.3905 |
Weighted residual factors for all reflections included in the refinement | 0.4422 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.372 |
Diffraction radiation wavelength | 0.71069 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/7027744.html
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