Information card for entry 4330122

Structure parameters

• Formula: C25 H42 N2 O15 Zn2
• Calculated formula: C25 H42 N2 O15 Zn2
• SMILES: [Zn]1234[N](C(C[OH]1)(CO)CO)=Cc1cc(C)cc5c1[O]2[Zn]1([N](=C5)C(C[OH]1)(CO)CO)([O]=C(O3)C)OC(=[O]4)C.O=C([O-])C.OC.OC
• Title of publication: Novel Chemosensor for the Visual Detection of Copper(II) in Aqueous Solution at the ppm Level
• Authors of publication: Vadapalli Chandrasekhar; Sourav Das; Rajeev Yadav; Sakiat Hossain; Rashmi Parihar; Ganesh Subramaniam; Pratik Sen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8664 - 8666
• a: 16.342 ± 0.003 Å
• b: 14.011 ± 0.003 Å
• c: 26.379 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6040 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No