Information card for entry 4323640

Structure parameters

• Formula: C54 H55 Fe2 N36 Ni3 O7
• Calculated formula: C54 H48 Fe2 N36 Ni2.5 O6.5
• Title of publication: Structure and Magnetism of a Bimetallic Pentanuclear Cluster [(Ni(bpm)2)3(Fe(CN)6)2].7H2O (bpm = Bis(1-pyrazolyl)methane)). The Role of the Hydrogen-Bonded 7H2O "Cluster" in Long-Range Magnetic Ordering
• Authors of publication: Kenneth Van Langenberg; Stuart R. Batten; Kevin J. Berry; David C. R. Hockless; Boujemaa Moubaraki; Keith S. Murray
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 5006 - 5015
• a: 12.888 ± 0.002 Å
• b: 12.8881 Å
• c: 42.927 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7130.3 ± 1.2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1715
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for all reflections: 1.304
• Goodness-of-fit parameter for significantly intense reflections: 1.549
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No