Information card for entry 4325988

Structure parameters

• Formula: C94 H76 N8 O8 S2 Zn2
• Calculated formula: C94 H76 N8 O8 S2 Zn2
• SMILES: [n]1(ccccc1)[Zn]123(OC(=CC(=[O]1)c1ccccc1)c1cc4Sc5c(ccc(c5)C5=CC(=[O][Zn]6([n]7ccccc7)([n]7ccccc7)([O]=C(C=C(O6)c6cc7Sc8c(ccc(c8)C(=CC(=[O]3)c3ccccc3)O2)N(CC)c7cc6)c2ccccc2)O5)c2ccccc2)N(CC)c4cc1)[n]1ccccc1.n1ccccc1.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: 11.092 ± 0.005 Å
• b: 12.371 ± 0.005 Å
• c: 15.53 ± 0.005 Å
• α: 100.918 ± 0.005°
• β: 105.277 ± 0.005°
• γ: 95.784 ± 0.005°
• Cell volume: 1992.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No