Information card for entry 7047873

Structure parameters

• Formula: C100 H92 B2 Fe3 N8 O8
• Calculated formula: C100 H92 B2 Fe3 N8 O8
• Title of publication: A linear trinuclear ferrous single molecule magnet.
• Authors of publication: Liu, Shihao; Deng, Yi-Fei; Li, Chang'An; Chang, Xiaoyong; Zhang, Yuan-Zhu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 46
• Pages of publication: 16704 - 16708
• a: 11.5264 ± 0.0011 Å
• b: 14.2406 ± 0.0014 Å
• c: 15.0986 ± 0.0015 Å
• α: 72.543 ± 0.003°
• β: 68.325 ± 0.003°
• γ: 69.161 ± 0.003°
• Cell volume: 2111.5 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No