Information card for entry 7712817

Structure parameters

• Formula: C81 H121.5 Mn18 N16.5 O58
• Calculated formula: C76 H114 Mn18 N14 O58
• Title of publication: Tetra-, tetradeca- and octadecametallic clusters of Mn
• Authors of publication: Brechin, Euan K.; Agapaki, Eleftheria; Canaj, Angelos; Nichol, Gary Stephen
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 15.1254 ± 0.0004 Å
• b: 15.3885 ± 0.0004 Å
• c: 15.9092 ± 0.0003 Å
• α: 103.925 ± 0.002°
• β: 99.153 ± 0.002°
• γ: 117.635 ± 0.002°
• Cell volume: 3022.25 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No