Information card for entry 4323239

Structure parameters

• Common name: [Fe~8~(μ-O)~4~(μ-BMDP)~4~(OH)~4~(OAc)~4~]{BF~4~]~3~[OH]^.^2CH~3~CN^.^8H~2~O
• Formula: C136 H179 B3 F12 Fe8 N34 O29
• Calculated formula: C136 H152 B3 F12 Fe8 N34 O29
• Title of publication: Novel Square Arrangements in Tetranuclear and Octanuclear Iron(III) Complexes with Asymmetric Iron Environments Created by the Unsymmetric Bridging Ligand N,N,N'-Tris((N-methyl)-2-benzimidazolylmethyl)-N'-methyl-1,3-diamino-2-propanol
• Authors of publication: Joe H. Satcher,; Marilyn M. Olmstead; Michael W. Droege; Sean R. Parkin; Bruce C. Noll; Leopold May; Alan L. Balch
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6751 - 6758
• a: 38.555 ± 0.003 Å
• b: 38.555 ± 0.003 Å
• c: 11.865 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17637 ± 4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1759
• Residual factor for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections: 0.3837
• Weighted residual factors for significantly intense reflections: 0.324
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.137
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No