Information card for entry 1546157

Structure parameters

• Formula: C22 H26 Mn N2 O8 Re
• Calculated formula: C22 H26 Mn N2 O8 Re
• SMILES: c12ccc(cc1C=[N]1C(C)(C)C(C)(C)[N]3=Cc4cc(ccc4O[Mn]13(O2)O[Re](=O)(=O)=O)OC)OC
• 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: 14.7377 ± 0.0007 Å
• b: 16.7073 ± 0.0008 Å
• c: 18.4223 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4536.1 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.329
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No