Information card for entry 7119577

Structure parameters

• Chemical name: Zn(DPATpy)(OAc)2
• Formula: C38 H34 N4 O5 Zn
• Calculated formula: C38 H34 N4 O5 Zn
• SMILES: [Zn]12(OC(=O)C)(OC(=O)C)[n]3c(cccc3)c3[n]1c(c1[n]2cccc1)cc(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c3.OC
• 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: 9.217 ± 0.004 Å
• b: 33.638 ± 0.014 Å
• c: 10.663 ± 0.005 Å
• α: 90°
• β: 100.141 ± 0.007°
• γ: 90°
• Cell volume: 3254 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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 all reflections: 0.1503
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No