Information card for entry 4089136

Structure parameters

• Formula: C47 H52 P2 Ru
• Calculated formula: C47 H52 P2 Ru
• SMILES: [Ru]12345([P](CC5c5ccccc5)(C5CCCCC5)C5CCCCC5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[c]13cccc[c]451
• 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: 14.6811 ± 0.0013 Å
• b: 13.3276 ± 0.0012 Å
• c: 20.0712 ± 0.0018 Å
• α: 90°
• β: 99.3409 ± 0.0012°
• γ: 90°
• Cell volume: 3875.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No