Information card for entry 7033565

Structure parameters

• Formula: C70 H66 B4 F8 Fe2 N34 Ni2 O4
• Calculated formula: C70 H66 B4 F8 Fe2 N34 Ni2 O4
• Title of publication: Single-molecule magnet behavior in three cyano-bridged heterometallic Fe(III)-Ni(II) clusters.
• Authors of publication: Zhuang, Peng-Fei; Zhang, Yan-Juan; Zheng, Hui; Jiao, Cheng-Qi; Zhao, Liang; Wang, Jun-Li; He, Cheng; Duan, Chun-Ying; Liu, Tao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 3393 - 3398
• a: 11.365 ± 0.003 Å
• b: 13.635 ± 0.003 Å
• c: 14.687 ± 0.003 Å
• α: 104.044 ± 0.016°
• β: 91.199 ± 0.014°
• γ: 99.696 ± 0.015°
• Cell volume: 2171.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.2473
• Weighted residual factors for all reflections included in the refinement: 0.2574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No