Information card for entry 7038400

Structure parameters

• Chemical name: 4,5-bis(dimethylaminemethylene)acridine cadmium bromide
• Formula: C19 H23 Br2 Cd N3
• Calculated formula: C19 H23 Br2 Cd N3
• SMILES: [Cd]12(Br)([n]3c4c(cccc4cc4cccc(c34)C[N]2(C)C)C[N]1(C)C)Br
• 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: 11.135 ± 0.002 Å
• b: 13.332 ± 0.002 Å
• c: 13.562 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2013.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0129
• Residual factor for significantly intense reflections: 0.0121
• Weighted residual factors for significantly intense reflections: 0.0261
• Weighted residual factors for all reflections included in the refinement: 0.0263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No