Information card for entry 4081478

Structure parameters

• Formula: C33 H42 B Cl5 N2 O Ru S2
• Calculated formula: C32.5 H41 B Cl4 N2 O Ru S2
• Title of publication: A Tridentate-Dithiolate Ruthenium Alkylidene Complex: An Olefin Metathesis Catalyst Activated by BCl3
• Authors of publication: McKinty, Adam M.; Lund, Clinton; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 17
• Pages of publication: 4730
• a: 34.706 ± 0.004 Å
• b: 10.5082 ± 0.0013 Å
• c: 28.072 ± 0.004 Å
• α: 90°
• β: 138.09 ± 0.009°
• γ: 90°
• Cell volume: 6838.5 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No