Information card for entry 4075104

Structure parameters

• Chemical name: Bis(3,5-dimethylpyrazol-1-yl)acetato-chloro- (3,3-diphenylallenylidene)-triphenylphosphine-ruthenium(ii)
• Formula: C91.5 H81.5 Cl6.5 N8 O4 P2 Ru2
• Calculated formula: C91.5 H81.5 Cl6.5 N8 O4 P2 Ru2
• Title of publication: Ruthenium Carbene, Vinylidene, and Allenylidene Complexes with a Bis(3,5-dimethylpyrazol-1-yl)acetato Heteroscorpionate Ligand
• Authors of publication: Kopf, Henning; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2533
• a: 12.445 ± 0.006 Å
• b: 15.072 ± 0.008 Å
• c: 25.059 ± 0.011 Å
• α: 87.26 ± 0.04°
• β: 77.12 ± 0.03°
• γ: 80.99 ± 0.04°
• Cell volume: 4525 ± 4 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No