Information card for entry 7001290

Structure parameters

• Formula: C28 H38 Cl2 N4 O12 Zn
• Calculated formula: C28 H35 Cl2 N4 O12 Zn
• SMILES: [Zn]123([OH2])[N](CC[N]1(Cc1[n]3c3ccc(OC)cc3cc1)C)(Cc1[n]2c2ccc(OC)cc2cc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OCC
• Title of publication: Bisquinoline-based fluorescent zinc sensors
• Authors of publication: Mikata, Yuji; Yamashita, Azusa; Kawamura, Ayano; Konno, Hideo; Miyamoto, Yuka; Tamotsu, Satoshi
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 19
• Pages of publication: 3800 - 3806
• a: 14.15 ± 0.003 Å
• b: 15.692 ± 0.003 Å
• c: 15.544 ± 0.003 Å
• α: 90°
• β: 108.189 ± 0.003°
• γ: 90°
• Cell volume: 3279 ± 1.1 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1032
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No