Information card for entry 7235555

Structure parameters

• Formula: C18 H15 N3 O S
• Calculated formula: C18 H15 N3 O S
• Title of publication: DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands
• Authors of publication: Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 33
• Pages of publication: 17179
• a: 6.4059 ± 0.0009 Å
• b: 10.8648 ± 0.0016 Å
• c: 12.1262 ± 0.0017 Å
• α: 79.907 ± 0.002°
• β: 82.063 ± 0.002°
• γ: 73.721 ± 0.002°
• Cell volume: 794.1 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No