Information card for entry 7057246

Structure parameters

• Formula: C11 H18 Cl5 N4 O Ru S
• Calculated formula: C11 H18 Cl5 N4 O Ru S
• Title of publication: Ru(iii)‒TMSO complexes containing azole-based ligands: synthesis and cytotoxicity study
• Authors of publication: Meiklejohn, Victoria; Depan, Dilip; Boudreaux, Seth P.; Murru, Siva; Perkins, Richard S.; Fronczek, Frank. R.; Srivastava, Radhey S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 9
• Pages of publication: 6858
• a: 8.005 ± 0.0003 Å
• b: 16.0433 ± 0.0007 Å
• c: 15.2781 ± 0.0006 Å
• α: 90°
• β: 105.036 ± 0.002°
• γ: 90°
• Cell volume: 1894.94 ± 0.13 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No