Information card for entry 7003617

Structure parameters

• Formula: C57 H93 Fe8 N7 O30
• Calculated formula: C57 H81 Fe8 N7 O30
• Title of publication: Polymetallic clusters of iron(iii) with derivatised salicylaldoximes
• Authors of publication: Gass, Ian A.; Milios, Constantinos J.; Collins, Anna; White, Fraser J.; Budd, Laura; Parsons, Simon; Murrie, Mark; Perlepes, Spyros P.; Brechin, Euan K.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 15
• Pages of publication: 2043 - 2053
• a: 23.2455 ± 0.0008 Å
• b: 23.2455 ± 0.0008 Å
• c: 23.7519 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11114.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No