Information card for entry 7712683

Structure parameters

• Formula: C24 H26 Cl2 N4 O4 Zn
• Calculated formula: C24 H26 Cl2 N4 O4 Zn
• SMILES: [Zn]123(Cl)[N](CC[N]1(Cc1[n]3c3ccccc3cc1)C)(Cc1[n]2c2ccccc2cc1)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Effect of methoxy substituents on fluorescent Zn2+/Cd2+ selectivity of bisquinoline derivatives with a N,N’-dimethylalkanediamine skeleton
• Authors of publication: Mikata, Yuji; Tanaka, Marin; Yasuda, Saori; Tsuruta, Aya; Hagiwara, Taeka; Konno, Hideo; Matsuo, Takashi
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 30.1327 ± 0.0013 Å
• b: 30.1327 ± 0.0013 Å
• c: 14.7905 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11630.3 ± 0.9 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No