Information card for entry 7000744

Structure parameters

• Formula: C88.32 H149.98 Cl6.34 Mn17 N12 O33.32
• Calculated formula: C88.32 H137.98 Cl6.34 Mn17 N12 O33.32
• Title of publication: Two edge-sharing MnII4MnIII6 supertetrahedra give an anisotropic S = 28 ± 1 MnII6MnIII11 complex
• Authors of publication: Nayak, Sanjit; Beltran, Lianne M. C.; Lan, Yanhua; Clérac, Rodolphe; Hearns, Nigel G. R.; Wernsdorfer, Wolfgang; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 1901 - 1903
• a: 15.1766 ± 0.0006 Å
• b: 16.6851 ± 0.0007 Å
• c: 26.4026 ± 0.0011 Å
• α: 97.244 ± 0.001°
• β: 100.949 ± 0.001°
• γ: 105.031 ± 0.001°
• Cell volume: 6230.1 ± 0.4 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: 0.0879
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No