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Information card for entry 7027717
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Coordinates | 7027717.cif |
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Original paper (by DOI) | HTML |
Formula | C97 H180 O24 Si16 Ti |
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Calculated formula | C97 H146 O24 Si16 Ti |
Title of publication | Synthesis and characterisation of titanium silasesquioxane complexes: soluble models for the active site in titanium silicate epoxidation catalysts † |
Authors of publication | Crocker, Mark; Herold, Ruud H. M.; Orpen, A. Guy; Overgaag, Martijn T. A. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 21 |
Pages of publication | 3791 |
a | 21.085 ± 0.008 Å |
b | 22.498 ± 0.008 Å |
c | 27.786 ± 0.01 Å |
α | 73.86 ± 0.03° |
β | 77.13 ± 0.03° |
γ | 87.37 ± 0.03° |
Cell volume | 12341 ± 8 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2097 |
Residual factor for significantly intense reflections | 0.1342 |
Weighted residual factors for all reflections | 0.3476 |
Weighted residual factors for significantly intense reflections | 0.3042 |
Goodness-of-fit parameter for all reflections | 1.414 |
Goodness-of-fit parameter for significantly intense reflections | 1.695 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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