Information card for entry 4089137

Structure parameters

• Formula: C45.5 H54 P2 Ru
• Calculated formula: C45.5 H54 P2 Ru
• SMILES: [Ru]12345([P](CC5C)(C5CCCCC5)C5CCCCC5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[c]13[c]45cccc1.c1(ccccc1)C
• Title of publication: Alkene Insertions into a Ru‒PR2 Bond
• Authors of publication: Burton, Krista M. E.; Pantazis, Dimitrios A.; Belli, Roman G.; McDonald, Robert; Rosenberg, Lisa
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 23
• Pages of publication: 3970
• a: 10.0216 ± 0.0003 Å
• b: 10.7311 ± 0.0003 Å
• c: 18.3305 ± 0.0006 Å
• α: 87.0292 ± 0.0004°
• β: 79.2366 ± 0.0004°
• γ: 80.7422 ± 0.0003°
• Cell volume: 1910.92 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0289
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No