Information card for entry 7212717

Structure parameters

• Formula: C48 H74 B2 Fe3 N22 O5
• Calculated formula: C42 H58 B2 Fe3 N20 O2
• Title of publication: Single chain magnet of a cyanide bridged FeII/FeIII complex
• Authors of publication: Mitsumoto, Kiyotaka; Ui, Mayumi; Nihei, Masayuki; Nishikawa, Hiroyuki; Oshio, Hiroki
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2697
• a: 11.59 ± 0.003 Å
• b: 13.984 ± 0.004 Å
• c: 20.498 ± 0.006 Å
• α: 105.457 ± 0.006°
• β: 105.167 ± 0.006°
• γ: 91.229 ± 0.007°
• Cell volume: 3075.6 ± 1.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.154
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2177
• Weighted residual factors for all reflections included in the refinement: 0.2433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No