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Information card for entry 1551281
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Coordinates | 1551281.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [TiO(OiPr)(Cy2PO2)]4 |
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Formula | C60 H116 O16 P4 Ti4 |
Calculated formula | C60 H116 O16 P4 Ti4 |
Title of publication | Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products |
Authors of publication | Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D. |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 15.2031 ± 0.0009 Å |
b | 21.8563 ± 0.0013 Å |
c | 43.312 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 14391.9 ± 1.6 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Number of distinct elements | 5 |
Space group number | 70 |
Hermann-Mauguin space group symbol | F d d d :2 |
Hall space group symbol | -F 2uv 2vw |
Residual factor for all reflections | 0.0661 |
Residual factor for significantly intense reflections | 0.0566 |
Weighted residual factors for all reflections | 0.1872 |
Weighted residual factors for significantly intense reflections | 0.1661 |
Weighted residual factors for all reflections included in the refinement | 0.1872 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9833 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1551281.html
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