Information card for entry 4339861

Structure parameters

• Formula: C92 H184 Mn16 O61
• Calculated formula: C80 H154 Mn16 O58
• Title of publication: High-spin Mn wheels.
• Authors of publication: Manoli, Maria; Prescimone, Alessandro; Bagai, Rashmi; Mishra, Abhudaya; Murugesu, Muralee; Parsons, Simon; Wernsdorfer, Wolfgang; Christou, George; Brechin, Euan K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 6968 - 6979
• a: 13.414 ± 0.0004 Å
• b: 15.906 ± 0.0004 Å
• c: 17.987 ± 0.0005 Å
• α: 66.487 ± 0.002°
• β: 82.684 ± 0.002°
• γ: 71.82 ± 0.002°
• Cell volume: 3343.42 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections: 0.1436
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9383
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No