Information card for entry 7056639

Structure parameters

• Formula: C16 H18 Cu2 N14 S2
• Calculated formula: C16 H18 Cu2 N14 S2
• SMILES: C1(=N[N]2[Cu]3(S1)([n]1ccccc1C=2C)[N](=N#N)[Cu]12([N](=C(c4cccc[n]14)C)N=C(N)S2)[N]3=N#N)N
• Title of publication: One new azido bridged dinuclear copper(II) thiosemicarbazide complex: Synthesis, DNA/protein binding, molecular docking study and cytotoxicity activity
• Authors of publication: Biswas, Niladri; KHANRA, SUMIT; Sarkar, Arnab; Mandal, Deba Prasad; Bhattacharjee, Shamee; Chaudhuri, Ankur; Chakraborty, Sibani; Roy Choudhury, Chirantan
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 21
• Pages of publication: 12996 - 13011
• a: 7.5576 ± 0.0003 Å
• b: 15.4438 ± 0.0008 Å
• c: 9.6007 ± 0.0005 Å
• α: 90°
• β: 91.438 ± 0.005°
• γ: 90°
• Cell volume: 1120.22 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No