Information card for entry 4064102

Structure parameters

• Formula: C101 H132 Br2 Cl4 N6 O6 Ru2 S2
• Calculated formula: C101 H132 Br2 Cl4 N6 O6 Ru2 S2
• Title of publication: Ruthenium Olefin Metathesis Catalysts Containing Six-Membered Sulfone and Sulfonamide Chelating Rings
• Authors of publication: Szadkowska, Anna; Żukowska, Karolina; Pazio, Aleksandra E.; Woźniak, Krzysztof; Kadyrov, Renat; Grela, Karol
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 1130 - 1138
• a: 12.9528 ± 0.0008 Å
• b: 13.0824 ± 0.0008 Å
• c: 17.9545 ± 0.0009 Å
• α: 109.096 ± 0.005°
• β: 93.843 ± 0.005°
• γ: 113.136 ± 0.006°
• Cell volume: 2576 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1875
• Residual factor for significantly intense reflections: 0.1697
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.1991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.557
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No