Information card for entry 7119578

Structure parameters

• Formula: C37 H30 N4 O4 Zn
• Calculated formula: C37 H30 N4 O4 Zn
• SMILES: C(=O)(C)O[Zn]12([n]3c(cc(c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cccc[n]23)c2cccc[n]12)OC(=O)C
• Title of publication: A simple zinc(ii) complex that features multi-functional luminochromism induced by reversible ligand dissociation.
• Authors of publication: Tsukamoto, Takamasa; Aoki, Risa; Sakamoto, Ryota; Toyoda, Ryojun; Shimada, Masaki; Hattori, Yohei; Asaoka, Mizuki; Kitagawa, Yasutaka; Nishibori, Eiji; Nakano, Masayoshi; Nishihara, Hiroshi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 26
• Pages of publication: 3657 - 3660
• a: 8.5635 ± 0.0003 Å
• b: 34.049 ± 0.001 Å
• c: 10.7218 ± 0.0003 Å
• α: 90°
• β: 102.222 ± 0.003°
• γ: 90°
• Cell volume: 3055.39 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.04
• RFsqd: 0.048
• Residual factor R(I) for significantly intense reflections: 0.048
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.79683 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No