Information card for entry 7236500

Structure parameters

• Chemical name: [(p-cymene)bis(chlorido)(2-thiouracil-kS2)ruthenium(II)]
• Formula: C14 H18 Cl2 N2 O Ru S
• Calculated formula: C14 H18 Cl2 N2 O Ru S
• Title of publication: Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases
• Authors of publication: Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 40
• Pages of publication: 6039
• a: 6.6956 ± 0.0013 Å
• b: 15.2432 ± 0.001 Å
• c: 17.81 ± 0.003 Å
• α: 67.308 ± 0.011°
• β: 80.069 ± 0.015°
• γ: 89.881 ± 0.009°
• Cell volume: 1647.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No