Information card for entry 7055854

Structure parameters

• Formula: C14 H20 Cu N2 O13 S
• Calculated formula: C14 H19 Cu N2 O13 S
• SMILES: [Cu]12([O]=c3c(C(=[O]1)O)ccc([nH]3)C)(OC(=O)c1c([nH]c(cc1)C)=[O]2)[OH2].S(=O)(=O)([O-])[O-].O.O
• Title of publication: Molecular diversity in several pyridyl based Cu(ii) complexes: biophysical interaction and redox triggered fluorescence switch
• Authors of publication: Adhikari, Sangita; Sahana, Animesh; Kumari, Babli; Ganguly, Durba; Das, Saurabh; Banerjee, Prajna Paramita; Banerjee, Gautam; Chattopadhyay, Ansuman; Fondo, Matilde; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 10378
• a: 8.7731 ± 0.0005 Å
• b: 13.7449 ± 0.0007 Å
• c: 16.6071 ± 0.0009 Å
• α: 90°
• β: 93.648 ± 0.002°
• γ: 90°
• Cell volume: 1998.52 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0283
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No