Information card for entry 7108004

Structure parameters

• Formula: C92 H104 B2 Br4 Fe2 Mn2 N22 O4
• Calculated formula: C92 H90 B2 Br4 Fe2 Mn2 N22 O4
• Title of publication: Designed cyanide- and phenoxide-bridged FeIIIMnIII single-molecule magnet constructed by highly blocked paramagnetic precursors
• Authors of publication: Kyung Jin Cho; Dae Won Ryu; Hyun Young Kwak; Jin Wuk Lee; Woo Ram Lee; Kwang Soo Lim; Eui Kwan Koh; Young Wan Kwon; Chang Seop Hong
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7404
• a: 12.414 ± 0.003 Å
• b: 14.003 ± 0.003 Å
• c: 15.544 ± 0.003 Å
• α: 98.07 ± 0.03°
• β: 105.42 ± 0.03°
• γ: 98.98 ± 0.03°
• Cell volume: 2525.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1065
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2075
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.85 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No