Information card for entry 7033564

Structure parameters

• Formula: C59 H61 B2 Fe2 N30 Ni O
• Calculated formula: C59 H61 B2 Fe2 N30 Ni O
• 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: 11.9157 ± 0.0005 Å
• b: 16.0385 ± 0.0005 Å
• c: 21.0439 ± 0.0007 Å
• α: 107.848 ± 0.002°
• β: 96.552 ± 0.002°
• γ: 105.634 ± 0.002°
• Cell volume: 3600.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No