Information card for entry 4325992

Structure parameters

• Formula: C64 H46 F12 Mn2 N6 O8 S2
• Calculated formula: C64 H46 F12 Mn2 N6 O8 S2
• SMILES: C(C1C=C2O[Mn]3([n]4ccccc4)([O]=1)(OC(=CC(=[O]3)C(F)(F)F)c1cc3Sc4c(ccc(C5=CC(C(F)(F)F)=[O][Mn]6([n]7ccccc7)(O5)OC(=CC(=[O]6)C(F)(F)F)c5cc6Sc7c(ccc2c7)N(c6cc5)CC)c4)N(c3cc1)CC)[n]1ccccc1)(F)(F)F.n1ccccc1
• Title of publication: Synthesis, Crystal Structures, Photophysical Properties, and Bioimaging of Living Cells of Bis-β-Diketonate Phenothiazine Ligands and Its Cyclic Dinuclear Complexes
• Authors of publication: Dongmei Li; Xiaohe Tian; Guiju Hu; Qiong Zhang; Peng Wang; Pingping Sun; Hongping Zhou; Xiangming Meng; Jiaxiang Yang; Jieying Wu; Baokang Jin; Shengyi Zhang; Xutang Tao; Yupeng Tian
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7997 - 8006
• a: 8.544 ± 0.006 Å
• b: 9.937 ± 0.007 Å
• c: 19.474 ± 0.013 Å
• α: 91.086 ± 0.008°
• β: 96.614 ± 0.009°
• γ: 111.179 ± 0.008°
• Cell volume: 1528.2 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.182
• Residual factor for significantly intense reflections: 0.1472
• Weighted residual factors for significantly intense reflections: 0.4934
• Weighted residual factors for all reflections included in the refinement: 0.5416
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No