Information card for entry 7113032

Structure parameters

• Chemical name: [Fe(III)2Ni(II)2(CN)6(tp)2((R)-pabn))((S)-pabn)](PF6)2.H2O.4CH3CN
• Formula: C96 H86 B2 F12 Fe2 N30 Ni2 O P2
• Calculated formula: C96 H84 B2 F12 Fe2 N30 Ni2 O P2
• Title of publication: Achiral single molecule magnet and chiral single chain magnet.
• Authors of publication: Hoshino, Norihisa; Sekine, Yoshihiro; Nihei, Masayuki; Oshio, Hiroki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 33
• Pages of publication: 6117 - 6119
• a: 9.212 ± 0.004 Å
• b: 13.535 ± 0.006 Å
• c: 20.115 ± 0.009 Å
• α: 101.84 ± 0.006°
• β: 92.846 ± 0.006°
• γ: 100.063 ± 0.006°
• Cell volume: 2407.4 ± 1.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1917
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2022
• Weighted residual factors for all reflections included in the refinement: 0.2614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No