Information card for entry 4339240

Structure parameters

• Formula: C82 H104 Mn7 N16 O26
• Calculated formula: C66 H72 Mn7 N6 O26
• Title of publication: Two frustrated, bitetrahedral single-molecule magnets.
• Authors of publication: Milios, Constantinos J.; Gass, Ian A.; Vinslava, Alina; Budd, Laura; Parsons, Simon; Wernsdorfer, Wolfgang; Perlepes, Spyros P.; Christou, George; Brechin, Euan K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6215 - 6217
• a: 13.3525 ± 0.0003 Å
• b: 14.5192 ± 0.0004 Å
• c: 23.566 ± 0.0006 Å
• α: 90°
• β: 104.008 ± 0.002°
• γ: 90°
• Cell volume: 4432.8 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections: 0.1389
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7276
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No