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Information card for entry 7005076
Preview
Coordinates | 7005076.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H70 O7 Si4 Ti2 |
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Calculated formula | C68 H70 O7 Si4 Ti2 |
SMILES | [Ti]12345(O[Si](O[Si](O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(O[Ti]16789(O[Si](O[Si](O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
Title of publication | Synthesis and characterization of complexes containing Ti-O-Si moieties. Catalytic activity in olefin epoxidation. |
Authors of publication | Fandos, Rosa; Gallego, Beatriz; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Terreros, Pilar |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 8 |
Pages of publication | 871 - 877 |
a | 10.787 ± 0.003 Å |
b | 15.713 ± 0.003 Å |
c | 20.904 ± 0.004 Å |
α | 69.76 ± 0.02° |
β | 79.648 ± 0.01° |
γ | 78.22 ± 0.02° |
Cell volume | 3231.3 ± 1.3 Å3 |
Cell temperature | 290 ± 2 K |
Ambient diffraction temperature | 290 ± 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 | 0.3409 |
Residual factor for significantly intense reflections | 0.0822 |
Weighted residual factors for significantly intense reflections | 0.1133 |
Weighted residual factors for all reflections included in the refinement | 0.1627 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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