Information card for entry 7043664

Structure parameters

• Formula: C22 H28 F6 Mn N4 O2 Sb
• Calculated formula: C22 H28 F6 Mn N4 O2 Sb
• SMILES: c12ccccc1C=[N]1CCC[NH]3[Mn]451(O2)[N](=Cc1c(cccc1)O5)CCC[NH]4CC3.[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: 11.661 ± 0.004 Å
• b: 8.205 ± 0.003 Å
• c: 13.538 ± 0.004 Å
• α: 90°
• β: 94.153 ± 0.007°
• γ: 90°
• Cell volume: 1291.9 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No