Information card for entry 4325994

Structure parameters

• Formula: C64 H46 Co2 F12 N6 O8 S2
• Calculated formula: C64 H46 Co2 F12 N6 O8 S2
• SMILES: C(C1=CC2=[O][Co]3([n]4ccccc4)([n]4ccccc4)(O1)OC(=CC(=[O]3)c1cc3Sc4c(ccc(C5=CC(C(F)(F)F)=[O][Co]6([n]7ccccc7)([n]7ccccc7)(O5)OC(=CC(=[O]6)c5cc6Sc7c(ccc2c7)N(CC)c6cc5)C(F)(F)F)c4)N(CC)c3cc1)C(F)(F)F)(F)(F)F
• 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: 8.7278 ± 0.0014 Å
• b: 10.0793 ± 0.0015 Å
• c: 19.42 ± 0.003 Å
• α: 89.497 ± 0.011°
• β: 83.29 ± 0.011°
• γ: 66.211 ± 0.011°
• Cell volume: 1551.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1065
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No