Information card for entry 4082123

Structure parameters

• Formula: C32 H42 F6 N6 O6 S2
• Calculated formula: C32 H42 F6 N6 O6 S2
• Title of publication: Arene‒Ruthenium(II) and −Iridium(III) Complexes with “Click”-Based Pyridyl-triazoles, Bis-triazoles, and Chelating Abnormal Carbenes: Applications in Catalytic Transfer Hydrogenation of Nitrobenzene
• Authors of publication: Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7376
• a: 14.526 ± 0.0012 Å
• b: 11.5792 ± 0.0009 Å
• c: 22.816 ± 0.002 Å
• α: 90°
• β: 96.59 ± 0.007°
• γ: 90°
• Cell volume: 3812.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1643
• Residual factor for significantly intense reflections: 0.119
• Weighted residual factors for significantly intense reflections: 0.3296
• Weighted residual factors for all reflections included in the refinement: 0.3618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No