Information card for entry 4088867

Structure parameters

• Formula: C40 H45 Cl3 F6 N8 O6 Ru S2
• Calculated formula: C40 H45 Cl3 F6 N8 O6 Ru S2
• Title of publication: Bonding and Catalytic Application of Ruthenium N-Heterocyclic Carbene Complexes Featuring Triazole, Triazolylidene, and Imidazolylidene Ligands
• Authors of publication: Hollering, Manuela; Albrecht, Martin; Kühn, Fritz E.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 17
• Pages of publication: 2980
• a: 11.995 ± 0.011 Å
• b: 13.749 ± 0.013 Å
• c: 16.487 ± 0.014 Å
• α: 102.55 ± 0.04°
• β: 92.32 ± 0.04°
• γ: 97.57 ± 0.04°
• Cell volume: 2624 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No