Information card for entry 4077344

Structure parameters

• Formula: C39 H27 N O2 Ru
• Calculated formula: C39 H27 N O2 Ru
• SMILES: [Ru]1234([N](=C(c5ccccc5)c5ccccc15)C=C(c1ccccc1)[CH]2=[C]3(c1ccccc1)C=C4c1ccccc1)(C#[O])C#[O]
• Title of publication: Reactivity of [Ru2(μ-η1:η1-NCPh2)(μ-η1:η2-PhCCHPh)(CO)6] with Alkynes. Insertion Reactions of Nonactivated Alkynes into Ru−C and Ru−N Bonds
• Authors of publication: Cabeza, Javier A.; del Río, Ignacio; Grepioni, Fabrizia; Moreno, Marta; Riera, Víctor; Suárez, Marta
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 20
• Pages of publication: 4190
• a: 13.344 ± 0.004 Å
• b: 15.089 ± 0.008 Å
• c: 16.088 ± 0.008 Å
• α: 78.35 ± 0.04°
• β: 82.92 ± 0.03°
• γ: 73.35 ± 0.03°
• Cell volume: 3032 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No