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Information card for entry 7706238
Preview
Coordinates | 7706238.cif |
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Original paper (by DOI) | HTML |
Formula | C44.5 H74 Cl N2 O P2 Si Ti |
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Calculated formula | C44.5 H74 Cl N2 O P2 Si Ti |
Title of publication | Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η<sup>2</sup>-P(SiMe<sub>3</sub>)-P<i>i</i>Pr<sub>2</sub>}] towards selected ketones. |
Authors of publication | Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 4 |
Pages of publication | 1390 - 1401 |
a | 9.5032 ± 0.0004 Å |
b | 11.8444 ± 0.0005 Å |
c | 22.143 ± 0.001 Å |
α | 100.092 ± 0.003° |
β | 90.957 ± 0.003° |
γ | 106.801 ± 0.003° |
Cell volume | 2343.1 ± 0.18 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1222 |
Residual factor for significantly intense reflections | 0.0779 |
Weighted residual factors for significantly intense reflections | 0.1923 |
Weighted residual factors for all reflections included in the refinement | 0.2194 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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