Information card for entry 1571678

Structure parameters

• Chemical name: Cr(OSi(tBu)3)3(XyNC)2
• Formula: C54 H99 Cr N2 O12 Si3
• Calculated formula: C54 H99 Cr N2 O12 Si3
• Title of publication: Influence of strong π-acceptor ligands on Cr-K-edge X-ray absorption spectral signatures and consequences for the interpretation of surface sites in the Phillips catalyst.
• Authors of publication: Kakiuchi, Yuya; Shapovalova, Svetlana; Protsenko, Bogdan; Guda, Sergey; Safonova, Olga V.; Guda, Alexander; Copéret, Christophe
• Journal of publication: Catalysis science & technology
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 3682 - 3690
• a: 13.1907 ± 0.0003 Å
• b: 20.8362 ± 0.0005 Å
• c: 23.4449 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6443.7 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No