Information card for entry 7129211

Structure parameters

• Formula: C99 H127 Mn23 N12 O61
• Calculated formula: C99 H126 Mn23 N12 O61
• Title of publication: High nuclearity structurally – related Mn supertetrahedral T4 aggregates
• Authors of publication: Skordi, Katerina; Anastassiades, Antonis; Fournet, Adeline D.; Kumar, Rahul; Schulze, Michael; Wernsdorfer, Wolfgang; Christou, George; Nastopoulos, Vassilios; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 31.9384 ± 0.0009 Å
• b: 31.9384 ± 0.0009 Å
• c: 31.9384 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 32579.1 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.2725
• Residual factor for significantly intense reflections: 0.1131
• Weighted residual factors for significantly intense reflections: 0.267
• Weighted residual factors for all reflections included in the refinement: 0.3764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No