Information card for entry 4338254

Structure parameters

• Formula: C38 H36 Cu N2 O10
• Calculated formula: C38 H36 Cu N2 O10
• SMILES: c1(cc(cc(c1)C(=O)OCC)C(=O)OCC)[N]1=Cc2c(O[Cu]31[N](=Cc1c(O3)cccc1)c1cc(cc(c1)C(=O)OCC)C(=O)OCC)cccc2
• Title of publication: A Schiff Base and Its Copper(II) Complex as a Highly Selective Chemodosimeter for Mercury(II) Involving Preferential Hydrolysis of Aldimine over an Ester Group.
• Authors of publication: Kumar, Ashish; Dubey, Mrigendra; Pandey, Rampal; Gupta, Rakesh Kumar; Kumar, Amit; Kalita, Alok Ch; Pandey, Daya Shankar
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4944 - 4955
• a: 14.87 ± 0.01 Å
• b: 7.459 ± 0.006 Å
• c: 14.326 ± 0.009 Å
• α: 90°
• β: 90.468 ± 0.011°
• γ: 90°
• Cell volume: 1588.9 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2255
• Weighted residual factors for all reflections included in the refinement: 0.2355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No