Information card for entry 7111684

Structure parameters

• Formula: C29 H50 B Fe N10 O
• Calculated formula: C29 H50 B Fe N10 O
• Title of publication: A cyano-based octanuclear {FeIII4NiII4} single-molecule magnet
• Authors of publication: Zhang, Yuanzhu; Mallik, Uma Prasad; Rath, Nigam; Yee, Gordon T.; Clérac, Rodolphe; Holmes, Stephen M.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 27
• Pages of publication: 4953 - 4955
• a: 9.9051 ± 0.0006 Å
• b: 16.1219 ± 0.0011 Å
• c: 20.399 ± 0.0014 Å
• α: 90°
• β: 93.661 ± 0.002°
• γ: 90°
• Cell volume: 3250.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0523
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No