Information card for entry 1546163

Structure parameters

• Formula: C20 H20 Br2 Mn N2 O6 Re
• Calculated formula: C20 H20 Br2 Mn N2 O6 Re
• SMILES: [Re](O[Mn]123Oc4ccc(Br)cc4C=[N]2C(C)(C)C([N]3=Cc2cc(Br)ccc2O1)(C)C)(=O)(=O)=O
• Title of publication: Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers
• Authors of publication: Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2017
• a: 13.849 ± 0.004 Å
• b: 18.445 ± 0.007 Å
• c: 8.901 ± 0.003 Å
• α: 90°
• β: 100.56 ± 0.02°
• γ: 90°
• Cell volume: 2235.2 ± 1.3 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No