Information card for entry 7226785

Structure parameters

• Formula: C30 H38 N6 O8 Zn2
• Calculated formula: C30 H38 N6 O8 Zn2
• SMILES: c12c3cc(C(C)(C)C)cc2C=[N]2CCC[N]4=Cc5c6[O]7[Zn]8([N](=C3)CCC[N]8=Cc6cc(c5)C(C)(C)C)([O]1[Zn]247ON(=O)=O)ON(=O)=O
• Title of publication: Macrocyclization of N, N′-propylenebis(3-formyl-5-tert butylsalicylaldimine): a ratiometric fluorescence chemodosimeter for ZnII
• Authors of publication: Das, Debasis; Das, Sudhanshu; Adhikary, Jaydeep; Chakraborty, Prateeti; Chakraborty, Tonmoy
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.1937 ± 0.0015 Å
• b: 19.343 ± 0.004 Å
• c: 11.985 ± 0.003 Å
• α: 90°
• β: 103.105 ± 0.009°
• γ: 90°
• Cell volume: 1624.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No