Information card for entry 4071591

Structure parameters

• Formula: C49 H41 N P2 Ru
• Calculated formula: C49 H41 N P2 Ru
• SMILES: [Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)(C#Cc5nc(ccc5)C)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Reactions of Ruthenium Acetylide and Vinylidene Complexes Containing a 2-Pyridyl Group
• Authors of publication: Chou, Hsien-Hsin; Lin, Ying-Chih; Huang, Shou-Ling; Liu, Yi-Hong; Wang, Yu
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 5212
• a: 8.835 ± 0.0001 Å
• b: 18.386 ± 0.0002 Å
• c: 24.034 ± 0.0002 Å
• α: 90°
• β: 94.517 ± 0.001°
• γ: 90°
• Cell volume: 3891.96 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0619
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections: 0.114
• Weighted residual factors for significantly intense reflections: 0.0951
• Goodness-of-fit parameter for all reflections: 1.124
• Goodness-of-fit parameter for significantly intense reflections: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No