Information card for entry 4339239

Structure parameters

• Formula: C69.5 H88.5 Mn7 N7 O26.25
• Calculated formula: C69.5 H84.75 Mn7 N7 O26.25
• 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: 14.8484 ± 0.0009 Å
• b: 24.6631 ± 0.0015 Å
• c: 21.0364 ± 0.0014 Å
• α: 90°
• β: 90.182 ± 0.002°
• γ: 90°
• Cell volume: 7703.7 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0912
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No