Information card for entry 1571677

Structure parameters

• Chemical name: Cr(O(tBu)2C6H3)2(XyNC)2
• Formula: C46 H60 Cr N2 O2
• Calculated formula: C46 H60 Cr N2 O2
• 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: 10.928 ± 0.0004 Å
• b: 28.6868 ± 0.001 Å
• c: 14.0779 ± 0.0006 Å
• α: 90°
• β: 110.037 ± 0.005°
• γ: 90°
• Cell volume: 4146.1 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No