Information card for entry 4350102

Structure parameters

• Formula: C19 H22 Cl2 Cu N4 O4
• Calculated formula: C19 H22 Cl2 Cu N4 O4
• SMILES: [Cu]12([O]=c3[nH]c4c(cc3C=[N]2NC(=[O]1)Nc1ccccc1)cccc4C)(Cl)[OH2].[Cl-].OC
• Title of publication: A quinoline-based probe for effective and selective sensing of aspartic acid in aqueous medium: in vitro and in vivo live cell imaging
• Authors of publication: Elamathi, C.; Butcher, R. J.; Mohankumar, A.; Sundararaj, P.; Madankumar, A.; Kalaivani, P.; Prabhakaran, R.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 3237
• a: 7.3965 ± 0.0018 Å
• b: 9.957 ± 0.002 Å
• c: 13.9 ± 0.003 Å
• α: 90°
• β: 91.053 ± 0.004°
• γ: 90°
• Cell volume: 1023.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No