Information card for entry 4306981

Structure parameters

• Formula: C50 H104 Cl12 Mn7 N6 O12
• Calculated formula: C49.998 H102 Cl12 Mn7 N6 O12
• Title of publication: Synthesis, Redox, and Magnetic Properties of a Neutral, Mixed-Valent Heptanuclear Manganese Wheel with S= 27/2 High-Spin Ground State,
• Authors of publication: Rolf W. Saalfrank; Andreas Scheurer; Raju Prakash; Frank W. Heinemann; Takayuki Nakajima; Frank Hampel; Roland Leppin; Bernd Pilawa; Holger Rupp; Paul Müller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1586 - 1592
• a: 11.808 ± 0.0002 Å
• b: 13.364 ± 0.0003 Å
• c: 13.728 ± 0.0003 Å
• α: 70.246 ± 0.001°
• β: 67.28 ± 0.001°
• γ: 71.364 ± 0.001°
• Cell volume: 1835.5 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0467
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No