Information card for entry 7716545

Structure parameters

• Chemical name: a
• Formula: C13 H21 Cl2 N3 O2 Ru S2
• Calculated formula: C13 H21 Cl2 N3 O2 Ru S2
• Title of publication: Unravelling the kinetics of electro- and photochemical S → O linkage isomerization in Ru(II)-NHC-DMSO complexes utilised for photoinduced substitution reactions.
• Authors of publication: Shahid, Nida; Singh, Amrendra K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 30
• Pages of publication: 12662 - 12675
• a: 9.1097 ± 0.0002 Å
• b: 14.8835 ± 0.0003 Å
• c: 13.8216 ± 0.0003 Å
• α: 90°
• β: 94.137 ± 0.002°
• γ: 90°
• Cell volume: 1869.11 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0966
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2555
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No