Information card for entry 1546160

Structure parameters

• Formula: C20 H20 Cl2 Mn N2 O6 Re
• Calculated formula: C20 H20 Cl2 Mn N2 O6 Re
• SMILES: [Re](O[Mn]123Oc4ccc(Cl)cc4C=[N]2C(C)(C)C([N]3=Cc2cc(Cl)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: 8.741 ± 0.005 Å
• b: 18.116 ± 0.009 Å
• c: 13.841 ± 0.007 Å
• α: 90°
• β: 100.912 ± 0.005°
• γ: 90°
• Cell volume: 2152 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No