Information card for entry 4331068

Structure parameters

• Formula: C147 H236 Fe4 N48 Ni4 O22
• Calculated formula: C147 H236 Fe4 N48 Ni4 O22
• Title of publication: Syntheses, Structures, and Magnetic Properties of a Novel mer-[(bbp)FeIII(CN)3]2- Building Block (bbp: bis(2-benzimidazolyl)pyridine dianion) and Its Related Heterobimetallic Fe(III)-Ni(II) Complexes
• Authors of publication: Anangamohan Panja; Philippe Guionneau; Ie-Rang Jeon; Stephen M. Holmes; Rodolphe Clérac; Corine Mathonière
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12350 - 12359
• a: 19.1754 ± 0.0003 Å
• b: 19.2606 ± 0.0004 Å
• c: 26.2796 ± 0.0005 Å
• α: 90°
• β: 91.893 ± 0.001°
• γ: 90°
• Cell volume: 9700.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1465
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1997
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No