Information card for entry 7055852

Structure parameters

• Formula: C68 H54.24 Cu2 N4 O11.12 S4
• Calculated formula: C68 H54.236 Cu2 N4 O11.118 S4
• 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: 19.4562 ± 0.0031 Å
• b: 15.796 ± 0.0025 Å
• c: 10.1007 ± 0.0016 Å
• α: 90°
• β: 103.17 ± 0.002°
• γ: 90°
• Cell volume: 3022.6 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No