Information card for entry 7119579

Structure parameters

• Chemical name: bis(u-sulfato-k2O)bis(4'-(4-diphenylaminophenyl)-2,2':6',2''-terpyridine-k3N)dizinc
• Formula: C68 H56 N8 O10 S2 Zn2
• Calculated formula: C68 H56 N8 O10 S2 Zn2
• SMILES: [Zn]123(OS(=O)(=O)O[Zn]45(OS(=O)(=O)O1)[n]1ccccc1c1[n]4c(cc(c1)c1ccc(N(c4ccccc4)c4ccccc4)cc1)c1[n]5cccc1)[n]1c(c4[n]3c(cc(c3ccc(N(c5ccccc5)c5ccccc5)cc3)c4)c3[n]2cccc3)cccc1.OC.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: 18.84 ± 0.005 Å
• b: 15.678 ± 0.004 Å
• c: 20.073 ± 0.006 Å
• α: 90°
• β: 97.206 ± 0.004°
• γ: 90°
• Cell volume: 5882 ± 3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• 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: 0.218
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No