Information card for entry 4349310

Structure parameters

• Formula: C140 H196 Mn29 N30 O80
• Calculated formula: C140 Mn29 N30 O80
• Title of publication: "Molecular Nanoclusters": A 2-nm-Sized {Mn₂₉} Cluster with a Spherical Structure.
• Authors of publication: Alexandropoulos, Dimitris I.; Fournet, Adeline; Cunha-Silva, Luís; Christou, George; Stamatatos, Theocharis C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12118 - 12121
• a: 21.956 ± 0.003 Å
• b: 21.956 ± 0.003 Å
• c: 23.591 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11372 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c :2
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No