Information card for entry 7708896

Structure parameters

• Formula: C200 H270 Mn10 N8 O32
• Calculated formula: C200 H244 Mn10 N8 O32
• Title of publication: Oxidation state variation in bis-calix[4]arene supported decametallic Mn clusters
• Authors of publication: Brechin, Euan K.; Wilson, Lucinda; Coletta, Marco; Jose, Reshma; Rajaraman, Gopalan; Dalgarno, Scott
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 22.322 ± 0.006 Å
• b: 18.903 ± 0.005 Å
• c: 27.501 ± 0.007 Å
• α: 90°
• β: 106.949 ± 0.016°
• γ: 90°
• Cell volume: 11100 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.162
• Residual factor for significantly intense reflections: 0.1271
• Weighted residual factors for significantly intense reflections: 0.3615
• Weighted residual factors for all reflections included in the refinement: 0.395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.403
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No