Information card for entry 1546162

Structure parameters

• Formula: C22 H26 Mn N3 O5
• Calculated formula: C22 H26 Mn N3 O5
• SMILES: c12ccc(C)cc1C=[N]1C(C)(C)C(C)(C)[N]3=Cc4cc(C)ccc4O[Mn]13(O2)ON(=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: 8.813 ± 0.0004 Å
• b: 14.3852 ± 0.0006 Å
• c: 16.9362 ± 0.0007 Å
• α: 81.336 ± 0.001°
• β: 75.607 ± 0.001°
• γ: 84.498 ± 0.001°
• Cell volume: 2052.16 ± 0.15 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No