Information card for entry 1558001

Structure parameters

• Formula: C204 H288 Cl2 Mn12 N10 O40
• Calculated formula: C204 H270 Cl2 Mn12 N10 O40
• Title of publication: A Brucite-Like Mixed-Valent Cluster Capped by [MnIIIp-tBu-calix[4]arene]− Moieties
• Authors of publication: Coletta, Marco; Palacios, Maria A.; Brechin, Euan K.; Dalgarno, Scott J.
• Journal of publication: Chemistry
• Year of publication: 2020
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 253 - 261
• a: 16.144 ± 0.016 Å
• b: 19.437 ± 0.019 Å
• c: 22.33 ± 0.02 Å
• α: 110.119 ± 0.015°
• β: 104.06 ± 0.02°
• γ: 90.752 ± 0.015°
• Cell volume: 6346 ± 11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No