Information card for entry 4316922

Structure parameters

• Formula: C22 H30 Cl2 Cu N6 O10
• Calculated formula: C22 H28 Cl2 Cu N6 O10
• SMILES: [Cu]123([NH]4CC[NH]1CC[NH]2CC[NH]3Cc1ccccc1c1oc(nn1)c1ccccc1C4)OCl(=O)(=O)=O.O.Cl(=O)(=O)(=O)[O-]
• Title of publication: Efficient Fluorescent Sensors Based on 2,5-Diphenyl[1,3,4]oxadiazole: A Case of Specific Response to Zn(II) at Physiological pH
• Authors of publication: Gianluca Ambrosi; Mauro Formica; Vieri Fusi; Luca Giorgi; Eleonora Macedi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9940 - 9948
• a: 9.339 ± 0.0002 Å
• b: 15.2362 ± 0.0005 Å
• c: 19.3439 ± 0.0005 Å
• α: 90°
• β: 96.276 ± 0.003°
• γ: 90°
• Cell volume: 2735.96 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1501
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.792
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No