Information card for entry 7243796

Structure parameters

• Formula: C24 H44 N4 O15 Zn
• Calculated formula: C24 H44 N4 O15 Zn
• SMILES: [Zn]1234(Oc5c(C=[N]3C(CO)(C[OH]1)CO)c(CO)cnc5C)[OH]CC([N]4=Cc1c(cnc(c1O2)C)CO)(CO)CO.O.O.O.O.O
• Title of publication: A highly selective pyridoxal-based chemosensor for the detection of Zn(ii) and application in live-cell imaging; X-ray crystallography of pyridoxal-TRIS Schiff-base Zn(ii) and Cu(ii) complexes
• Authors of publication: Hussain, Anwar; Mariappan, Kadarkaraisamy; Cork, Dawson C.; Lewandowski, Luke D.; Shrestha, Prem K.; Giri, Samiksha; Wang, Xuejun; Sykes, Andrew G.
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 54
• Pages of publication: 34181 - 34192
• a: 20.3659 ± 0.0017 Å
• b: 8.7855 ± 0.0009 Å
• c: 16.9217 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3027.7 ± 0.5 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No