Information card for entry 1546155

Structure parameters

• Formula: C20 H20 Cl2 Mn N5 O2
• Calculated formula: C20 H20 Cl2 Mn N5 O2
• SMILES: [Mn]123(Oc4ccc(Cl)cc4C=[N]2C(C)(C)C([N]3=Cc2cc(Cl)ccc2O1)(C)C)N=N#N
• 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: 8.08 ± 0.005 Å
• b: 11.412 ± 0.007 Å
• c: 12.082 ± 0.007 Å
• α: 71.822 ± 0.014°
• β: 73.52 ± 0.014°
• γ: 86.773 ± 0.017°
• Cell volume: 1014.4 ± 1.1 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No