Information card for entry 7043666

Structure parameters

• Formula: C22 H28 F6 Mn N4 O2 Sb
• Calculated formula: C22 H28 F6 Mn N4 O2 Sb
• SMILES: c12O[Mn]3456[N](CCC[NH]3CC[NH]5CCC[N]4=Cc3c(cccc3)O6)=Cc2cccc1.F[Sb](F)(F)(F)(F)[F-]
• Title of publication: The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes
• Authors of publication: Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.5228 ± 0.0012 Å
• b: 8.1611 ± 0.0009 Å
• c: 13.4565 ± 0.0014 Å
• α: 90°
• β: 93.442 ± 0.002°
• γ: 90°
• Cell volume: 1263.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0198
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No