Information card for entry 7111685

Structure parameters

• Common name: Octa-Fe4Ni4
• Formula: C116 H212 B4 Cl4 Fe4 N56 Ni4 O24
• Calculated formula: C116 H200 B4 Cl4 Fe4 N56 Ni4 O24
• 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: 14.0577 ± 0.001 Å
• b: 14.5679 ± 0.0011 Å
• c: 23.412 ± 0.0018 Å
• α: 75.052 ± 0.003°
• β: 77.373 ± 0.003°
• γ: 62.117 ± 0.003°
• Cell volume: 4067.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No