Information card for entry 7004994

Structure parameters

• Formula: C92 H184 Mn16 O61
• Calculated formula: C80 H154 Mn16 O58
• Title of publication: A high-spin molecular wheel from self-assembled 'Mn rods'.
• Authors of publication: Manoli, Maria; Prescimone, Alessandro; Mishra, Abhudaya; Parsons, Simon; Christou, George; Brechin, Euan K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 5
• Pages of publication: 532 - 534
• 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