Information card for entry 4000537

Structure parameters

• Formula: C52 H68 N4 O5 Zn2
• Calculated formula: C52 H68 N4 O5 Zn2
• SMILES: C1CCCO1.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
• 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: 15.307 ± 0.006 Å
• b: 19.782 ± 0.006 Å
• c: 16.817 ± 0.007 Å
• α: 90°
• β: 99.73 ± 0.04°
• γ: 90°
• Cell volume: 5019 ± 0.3 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No