Information card for entry 7113033

Structure parameters

• Chemical name: catena-[Ni(II)((R)-pabn))][Fe(III)(tp)(CN)3]PF6.2MeOH
• Formula: C46 H44 B F6 Fe N13 Ni O2 P
• Calculated formula: C46 H44 B F6 Fe N13 Ni O2 P
• 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: 10.6762 ± 0.0009 Å
• b: 17.5426 ± 0.0015 Å
• c: 25.176 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4715.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No