Information card for entry 7030957

Structure parameters

• Common name: Fe4L6-tBu(R)
• Formula: C138 H180 Fe4 N12 O18
• Calculated formula: C138 H180 Fe4 N12 O18
• Title of publication: A family of enantiopure Fe(III)4 single molecule magnets: fine tuning of energy barrier by remote substituent.
• Authors of publication: Zhu, Yuan-Yuan; Cui, Chang; Qian, Kang; Yin, Ji; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 31
• Pages of publication: 11897 - 11907
• a: 17.7804 ± 0.0003 Å
• b: 21.4247 ± 0.0004 Å
• c: 18.2283 ± 0.0004 Å
• α: 90°
• β: 91.988 ± 0.002°
• γ: 90°
• Cell volume: 6939.7 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No