Information card for entry 4104161

Structure parameters

• Formula: C41 H36 N4 S2 Zn
• Calculated formula: C41 H36 N4 S2 Zn
• SMILES: [Zn]12(=S)(=S)[n]3c(c4cc(c5ccc(/C=C/c6cc7c(n(c8c7cccc8)CCCCCC)cc6)cc5)cc([n]14)c1[n]2cccc1)cccc3
• Title of publication: A Sulfur-Terminal Zn(II) Complex and Its Two-Photon Microscopy Biological Imaging Application
• Authors of publication: Yuanhao Gao; Jieying Wu; Yiming Li; Pingping Sun; Hongping Zhou; Jiaxiang Yang; Shengyi Zhang; Baokang Jin; Yupeng Tian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 5208 - 5213
• a: 36.104 ± 0.005 Å
• b: 11.621 ± 0.005 Å
• c: 16.841 ± 0.005 Å
• α: 90 ± 0.005°
• β: 97.646 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7003 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1977
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.433
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No