Information card for entry 4313672

Structure parameters

• Formula: C108 H124 Fe2 N24 Ni3 O14
• Calculated formula: C54 H48 Fe N12 Ni1.5 O7
• Title of publication: Recognition of Topological Isomerism: Synthesis, Structure, and Magnetic Properties of Two Pentanuclear High-Spin Molecules of the Type [NiII(N-N)2]3[FeIII(CN)6]2
• Authors of publication: Curtis P. Berlinguette; José Ramón Galán-Mascarós; Kim R. Dunbar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3416 - 3422
• a: 19.531 ± 0.004 Å
• b: 24.895 ± 0.005 Å
• c: 24.522 ± 0.005 Å
• α: 90°
• β: 98.68 ± 0.03°
• γ: 90°
• Cell volume: 11787 ± 4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.3582
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No