Information card for entry 7235668

Structure parameters

• Formula: C15 H18 Br2 N4 Ru S
• Calculated formula: C15 H18 Br2 N4 Ru S
• Title of publication: Mitigating UVA light induced reactivity of 6-thioguanine through formation of a Ru(ii) half-sandwich complex
• Authors of publication: Mitra, Raja; Samuelson, Ashoka G.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 46
• Pages of publication: 24304
• a: 11.282 ± 0.005 Å
• b: 12.335 ± 0.005 Å
• c: 13.697 ± 0.005 Å
• α: 90 ± 0.005°
• β: 101.374 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1868.7 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1108
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No