Information card for entry 4325987

Structure parameters

• Formula: C32 H25 Cu0 N O4 S
• Calculated formula: C32 H25 N O4 S
• SMILES: c1cccc(c1)/C(=C/C(=O)c1cc2c(cc1)N(c1c(cc(C(=O)/C=C(/c3ccccc3)O)cc1)S2)CC)O
• 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: 15.276 ± 0.005 Å
• b: 16.211 ± 0.005 Å
• c: 10.466 ± 0.003 Å
• α: 90°
• β: 98.021 ± 0.004°
• γ: 90°
• Cell volume: 2566.4 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1352
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No