Information card for entry 7018884

Structure parameters

• Formula: C35 H34 Br Cl N O2 P Ru S
• Calculated formula: C35 H34 Br Cl N O2 P Ru S
• Title of publication: One-step entry to olefin-tethered N,S-heterocyclic carbene complexes of ruthenium with mixed ligands
• Authors of publication: Ding, Nini; Zhang, Wenhua; Hor, T. S. Andy
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5988
• a: 10.2071 ± 0.0012 Å
• b: 14.9002 ± 0.0018 Å
• c: 20.374 ± 0.003 Å
• α: 90°
• β: 98.004 ± 0.003°
• γ: 90°
• Cell volume: 3068.5 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No