Information card for entry 7033566

Structure parameters

• Formula: C72 H54 B2 Cl2 Fe2 N26 Ni2 O10
• Calculated formula: C72 H54 B2 Cl2 Fe2 N26 Ni2 O10
• 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: 13.4477 ± 0.0008 Å
• b: 13.8536 ± 0.0008 Å
• c: 13.9678 ± 0.0011 Å
• α: 118.14 ± 0.004°
• β: 114.968 ± 0.004°
• γ: 91.022 ± 0.004°
• Cell volume: 2002.1 ± 0.3 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: 0.0828
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No