Information card for entry 7004720

Structure parameters

• Common name: (Mn6O2(Et-sao)6(EtOH)6(Br)2)
• Formula: C66 H90 Br2 Mn6 N6 O20
• Calculated formula: C66 H90 Br2 Mn6 N6 O20
• Title of publication: New structural types and different oxidation levels in the family of Mn6-oxime single-molecule magnets
• Authors of publication: Jones, Leigh F.; Inglis, Ross; Cochrane, Martyn E.; Mason, Kevin; Collins, Anna; Parsons, Simon; Perlepes, Spyros P.; Brechin, Euan K.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6205 - 6210
• a: 12.9999 ± 0.0005 Å
• b: 11.2786 ± 0.0005 Å
• c: 25.7117 ± 0.0011 Å
• α: 90°
• β: 102.471 ± 0.002°
• γ: 90°
• Cell volume: 3680.9 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8779
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No