Information card for entry 4325993

Structure parameters

• Formula: C66 H48 Cu2 F12 N4 O8 S2
• Calculated formula: C66 H48 Cu2 F12 N4 O8 S2
• SMILES: FC(F)(F)C1=CC2=[O][Cu]3([n]4ccccc4)(O1)OC(=CC(=[O]3)c1cc3Sc4c(ccc(c4)C4=[O][Cu]5([n]6ccccc6)(OC(=C4)C(F)(F)F)OC(=CC(=[O]5)c4cc5c(N(c6ccc2cc6S5)CC)cc4)C(F)(F)F)N(c3cc1)CC)C(F)(F)F.c1ccccc1.c1ccccc1
• 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: 9.3769 ± 0.0002 Å
• b: 9.938 ± 0.0002 Å
• c: 19.0906 ± 0.0004 Å
• α: 86.159 ± 0.001°
• β: 82.312 ± 0.001°
• γ: 63.448 ± 0.001°
• Cell volume: 1577.02 ± 0.06 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: 0.0726
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No