Information card for entry 7105280

Structure parameters

• Formula: C30 H31 Cl2 Cu N5 O4
• Calculated formula: C30 H31 Cl2 Cu N5 O4
• SMILES: [Cu]123(Cl)[O]=C(Nc4ccc5C(=O)N(C(=O)c6cccc4c56)CCCC)C[N]3(Cc3[n]1cccc3)Cc1[n]2cccc1.[Cl-].O
• Title of publication: Development of off-on fluorescent probes for heavy and transition metal ions.
• Authors of publication: Xu, Zhaochao; Han, Su Jung; Lee, Chongmok; Yoon, Juyoung; Spring, David R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 1679 - 1681
• a: 27.4477 ± 0.0003 Å
• b: 6.6081 ± 0.0001 Å
• c: 35.2482 ± 0.0004 Å
• α: 90°
• β: 112.053 ± 0.001°
• γ: 90°
• Cell volume: 5925.47 ± 0.13 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0618
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No