Information card for entry 4073506

Structure parameters

• Formula: C19 H44 P4 Ru
• Calculated formula: C19 H44 P4 Ru
• SMILES: [Ru]12([P](C)(C)CC[P]1(C)C)([P](C)(C)CC[P]2(C)C)(C)C#CC(C)(C)C
• Title of publication: Mono- and Bis-acetylidoruthenium(II) Complexes by Controlled Metathesis of Methylruthenium Complexes with Acetylenes
• Authors of publication: Field, Leslie D.; Magill, Alison M.; Shearer, Timothy K.; Dalgarno, Scott J.; Turner, Peter
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 19
• Pages of publication: 4776
• a: 9.4092 ± 0.0003 Å
• b: 9.6418 ± 0.0003 Å
• c: 15.5081 ± 0.0005 Å
• α: 79.873 ± 0.002°
• β: 79.755 ± 0.002°
• γ: 70.21 ± 0.002°
• Cell volume: 1292.53 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No