Information card for entry 4000531

Structure parameters

• Common name: A dizinc complex of tBu-salen with methanol
• Formula: C49 H64 N4 O5 Zn2
• Calculated formula: C49 H64 N4 O5 Zn2
• SMILES: CC(c1cccc2c1O[Zn]13Oc4c(C=[N]3CC[N]3=Cc5c(O[Zn]63[N](=Cc3cccc(c3O6)C(C)(C)C)CC[N]1=C2)c(ccc5)C(C)(C)C)cccc4C(C)(C)C)(C)C.OC
• Title of publication: Fluorescence Color Modulation by Intramolecular and Intermolecular π‒π Interactions in a Helical Zinc(II) Complex
• Authors of publication: Mizukami, Shin; Houjou, Hirohiko; Sugaya, Kenta; Koyama, Emiko; Tokuhisa, Hideo; Sasaki, Takeshi; Kanesato, Masatoshi
• Journal of publication: Chemistry of Materials
• Year of publication: 2005
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 50 - 56
• a: 12.5 ± 0.02 Å
• b: 14.17 ± 0.01 Å
• c: 15.8 ± 0.02 Å
• α: 62.01 ± 0.09°
• β: 82.3 ± 0.1°
• γ: 76.7 ± 0.1°
• Cell volume: 2405.1 ± 0.5 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No