Information card for entry 7129212

Structure parameters

• Formula: C114 H129.4 Mn24 N17.2 O64.4
• Calculated formula: C114 H123.2 Mn24 N17.2 O64.4
• 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: 18.4677 ± 0.0008 Å
• b: 19.8514 ± 0.0008 Å
• c: 25.7641 ± 0.0007 Å
• α: 67.98 ± 0.003°
• β: 85.789 ± 0.003°
• γ: 87.81 ± 0.004°
• Cell volume: 8732.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1217
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No