Information card for entry 7112712

Structure parameters

• Formula: C31 H42 Mn N4 O8
• Calculated formula: C31 H42 Mn N4 O8
• SMILES: [Mn]12345Oc6c(C=[N]3CC(C)(C[N]4=Cc3cccc(OC)c3O1)C[N]5=Cc1cccc(OC)c1O2)cccc6OC.OC.OC.[NH4+]
• Title of publication: A single tripodal ligand stabilizing three different oxidation states (II, III, and IV) of manganese.
• Authors of publication: Sunatsuki, Yukinari; Kishima, Yukana; Kobayashi, Tamami; Yamaguchi, Tomoka; Suzuki, Takayoshi; Kojima, Masaaki; Krzystek, J.; Sundberg, Markku R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 32
• Pages of publication: 9149 - 9151
• a: 10.8867 ± 0.001 Å
• b: 25.958 ± 0.002 Å
• c: 22.332 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6311 ± 0.9 ų
• Cell temperature: 193.1 K
• Ambient diffraction temperature: 193.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No