Information card for entry 4339074

Structure parameters

• Formula: C76 H94 Cu2 F6 Mn2 N10 O20 S2
• Calculated formula: C76 H90 Cu2 F6 Mn2 N10 O20 S2
• Title of publication: Single-molecule magnet behavior in heterometallic M(II)-Mn(III)(2)-M(II) tetramers (M(II) = Cu, Ni) containing Mn(III) salen-type dinuclear core.
• Authors of publication: Kachi-Terajima, Chihiro; Miyasaka, Hitoshi; Saitoh, Ayumi; Shirakawa, Naoki; Yamashita, Masahiro; Clérac, Rodolphe
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 5861 - 5872
• a: 17.078 ± 0.007 Å
• b: 11.888 ± 0.004 Å
• c: 21.335 ± 0.009 Å
• α: 90°
• β: 113.117 ± 0.0011°
• γ: 90°
• Cell volume: 3984 ± 3 ų
• Cell temperature: 103.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.2016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No