Information card for entry 7112716

Structure parameters

• Formula: C29 H30 F6 K Mn N3 O6 P
• Calculated formula: C29 H30 F6 K Mn N3 O6 P
• SMILES: [Mn]12345[O]6[K]789%10%11%12([F][P]([F]7)([F]8)(F)(F)F)[O]1c1c(C=[N]4CC(C)(C[N]5=Cc4cccc([O]9C)c46)C[N]2=Cc2cccc([O]%10C)c2[O]3%11)cccc1[O]%12C
• 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: 13.0303 ± 0.0011 Å
• b: 15.888 ± 0.0012 Å
• c: 15.6809 ± 0.0012 Å
• α: 90°
• β: 92.234 ± 0.003°
• γ: 90°
• Cell volume: 3243.9 ± 0.4 ų
• Cell temperature: 193.1 K
• Ambient diffraction temperature: 193.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No