Information card for entry 4337647

Structure parameters

• Common name: 1.CuCl2
• Formula: C22 H22 Cl2 Cu O7
• Calculated formula: C22 H22 Cl2 Cu O7
• SMILES: O1c2c3c(ccc2)C(=O)c2cccc(OCCOCCOCCOCC1)c2C3=O.[Cu](Cl)Cl
• Title of publication: Selective Fluorescence Sensing of Copper(II) and Water via Competing Imine Hydrolysis and Alcohol Oxidation Pathways Sensitive to Water Content in Aqueous Acetonitrile Mixtures.
• Authors of publication: Mariappan, Kadarkaraisamy; Alaparthi, Madhubabu; Caple, Gerald; Balasubramanian, Vinothini; Hoffman, Mariah M.; Hudspeth, Mikaela; Sykes, Andrew G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2953 - 2962
• a: 8.0308 ± 0.0006 Å
• b: 11.7948 ± 0.0008 Å
• c: 12.5327 ± 0.0009 Å
• α: 70.324 ± 0.001°
• β: 88.649 ± 0.001°
• γ: 78.119 ± 0.001°
• Cell volume: 1092.51 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0971
• 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