Information card for entry 7105055

Structure parameters

• Formula: C22 H19 Cu N5 O9
• Calculated formula: C22 H19 Cu N5 O9
• SMILES: [Cu]12([n]3ccccc3C[N]1(Cc1[n]2cccc1)Cc1cc(=O)oc2cc(ccc12)O)ON(=O)=O.N(=O)(=O)[O-]
• Title of publication: Pyrophosphate selective fluorescent chemosensors based on coumarin-DPA-Cu(II) complexes.
• Authors of publication: Kim, Min Jung; Swamy, K M K; Lee, Kyung Mi; Jagdale, Arun R; Kim, Youngmee; Kim, Sung-Jin; Yoo, Kyung Ho; Yoon, Juyoung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 46
• Pages of publication: 7215 - 7217
• a: 8.8036 ± 0.001 Å
• b: 13.0269 ± 0.0015 Å
• c: 19.063 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2186.2 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0676
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No