Information card for entry 7038401

Structure parameters

• Chemical name: 4,5-bis(dimethylaminemethylene)acridine tetrakis(?-acetate) bis(acetate) zinc(II)
• Formula: C31 H41 N3 O12 Zn3
• Calculated formula: C31 H41 N3 O12 Zn3
• SMILES: [Zn]12([n]3c4c(cccc4cc4cccc(c34)C[N]2(C)C)C[N]1(C)C)(OC(=O)C)[O]=C(C)O[Zn]12[O]=C(C)O[Zn]([O]=C(C)O1)(OC(=[O]2)C)OC(=O)C
• Title of publication: Highly selective and sensitive fluorescence detection of Zn(2+) and Cd(2+) ions by using an acridine sensor.
• Authors of publication: Visscher, A.; Bachmann, S.; Schnegelsberg, C.; Teuteberg, T.; Mata, R. A.; Stalke, D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5689 - 5699
• a: 8.449 ± 0.002 Å
• b: 20.113 ± 0.002 Å
• c: 21.008 ± 0.003 Å
• α: 90°
• β: 101.42 ± 0.02°
• γ: 90°
• Cell volume: 3499.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0252
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No