Information card for entry 4514643

Structure parameters

• Formula: C103 H224 Ni4 O32 Si8
• Calculated formula: C103 H224 Ni4 O32 Si8
• Title of publication: Specific Localization of Aluminum Sites Favors Ethene-to-Propene Conversion on (Al)MCM-41-Supported Ni(II) Single Sites
• Authors of publication: Moroz, Ilia B.; Lund, Alicia; Kaushik, Monu; Severy, Laurent; Gajan, David; Fedorov, Alexey; Lesage, Anne; Copéret, Christophe
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 7476
• a: 24.2076 ± 0.0004 Å
• b: 27.078 ± 0.0003 Å
• c: 21.532 ± 0.0003 Å
• α: 90°
• β: 106.288 ± 0.002°
• γ: 90°
• Cell volume: 13547.6 ± 0.4 ų
• Cell temperature: 103 ± 1 K
• Ambient diffraction temperature: 103 ± 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: 0.0764
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No