Information card for entry 4072147

Structure parameters

• Formula: C34.5 H49 Cl4 N4 O2 P Ru
• Calculated formula: C34.5 H49 Cl4 N4 O2 P Ru
• Title of publication: Neutral Ruthenium Carbene Complexes bearing N,N,O Heteroscorpionate Ligands: Syntheses and Activity in Metathesis Reactions
• Authors of publication: Kopf, Henning; Holzberger, Bastian; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5894
• a: 15.35 ± 0.003 Å
• b: 10.613 ± 0.002 Å
• c: 25.671 ± 0.005 Å
• α: 90°
• β: 98.78 ± 0.03°
• γ: 90°
• Cell volume: 4133 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1185
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No