Information card for entry 4306982

Structure parameters

• Formula: C60 H126 Cl6 Mn7 N6 O15
• Calculated formula: C60 H118 Cl6 Mn7 N6 O15
• 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: 11.531 ± 0.001 Å
• b: 13.297 ± 0.002 Å
• c: 13.464 ± 0.002 Å
• α: 70.16 ± 0.007°
• β: 81.607 ± 0.004°
• γ: 89.674 ± 0.006°
• Cell volume: 1918.9 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No