Information card for entry 4325990

Structure parameters

• Formula: C64 H46 Cd2 F12 N6 O8 S2
• Calculated formula: C64 H46 Cd2 F12 N6 O8 S2
• SMILES: C(C1=CC2c3cc4Sc5cc(C6=[O][Cd]7([n]8ccccc8)(OC(=C6)C(F)(F)F)([n]6ccccc6)OC(=CC(c6ccc8c(c6)Sc6c(N8CC)ccc(c6)C6=[O][Cd](O1)([O]=2)([n]1ccccc1)([n]1ccccc1)OC(=C6)C(F)(F)F)=[O]7)C(F)(F)F)ccc5N(c4cc3)CC)(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: 8.896 ± 0.005 Å
• b: 10.216 ± 0.005 Å
• c: 18.837 ± 0.005 Å
• α: 92.476 ± 0.005°
• β: 99.68 ± 0.005°
• γ: 113.835 ± 0.005°
• Cell volume: 1531.9 ± 1.2 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: 0.0841
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No