Information card for entry 4075529

Structure parameters

• Common name: [RuCp(IPri)(=C2(CH3)2C2(CH2)3)]PF6.CH2Cl2
• Formula: C42 H55 Cl2 F6 N2 P Ru
• Calculated formula: C42 H54.686 Cl2.12 F6 N2 P Ru
• Title of publication: Formation of a Half-Sandwich Triscarbene Ruthenium Complex: Oxidative Coupling of 2,7-Nonadiyne Mediated by [RuCp(IPri)(CH3CN)2]+(IPri= 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)
• Authors of publication: Becker, Eva; Stingl, Verena; Mereiter, Kurt; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 17
• Pages of publication: 4166
• a: 12.6022 ± 0.0006 Å
• b: 25.3077 ± 0.0012 Å
• c: 13.293 ± 0.0006 Å
• α: 90°
• β: 100.426 ± 0.001°
• γ: 90°
• Cell volume: 4169.6 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No