Information card for entry 4325730

Structure parameters

• Formula: C30 H48 F6 Mn2 N6 O14 P
• Calculated formula: C30 H32 F6 Mn2 N6 O14 P
• SMILES: c12C[N]34Cc5cccc[n]5[Mn]564(OC(=O)[C@H]3C)([n]2cccc1)O[Mn]1236([n]4ccccc4C[N]1(Cc1cccc[n]21)[C@H](C(=O)O3)C)O5.O.O.O.O.[P](F)(F)(F)(F)(F)[F-].O.O.O.O
• Title of publication: Anticancer Activity, Attenuation on the Absorption of Calcium in Mitochondria, and Catalase Activity for Manganese Complexes of N-Substituted Di(picolyl)amine
• Authors of publication: Dong-Fang Zhou; Qiu-Yun Chen; Yan Qi; Hai-Jian Fu; Zan Li; Kai-Di Zhao; Jing Gao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6929 - 6937
• a: 10.492 ± 0.002 Å
• b: 10.727 ± 0.002 Å
• c: 11.137 ± 0.002 Å
• α: 67.04 ± 0.02°
• β: 64.89 ± 0.02°
• γ: 88.32 ± 0.02°
• Cell volume: 1031 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No