Information card for entry 4087687

Structure parameters

• Formula: C24 H27 P Ru2
• Calculated formula: C24 H27 P Ru2
• SMILES: [Ru]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81CCPCC[c]12[cH]3[Ru]4567891([cH]1[cH]4[cH]5[cH]6[cH]71)[cH]3[cH]8[cH]29
• Title of publication: Synthesis and Characterization of a Family of Air-Stable Ferrocene- and Ruthenocene-Containing Primary, Secondary, and Tertiary Phosphines
• Authors of publication: Kenaree, Amir Rabiee; Cuthbert, Tyler J.; Barbon, Stephanie M.; Boyle, Paul D.; Gillies, Elizabeth R.; Ragogna, Paul J.; Gilroy, Joe B.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 4272
• a: 29.614 ± 0.004 Å
• b: 5.7191 ± 0.0007 Å
• c: 25.299 ± 0.003 Å
• α: 90°
• β: 108.331 ± 0.006°
• γ: 90°
• Cell volume: 4067.3 ± 0.9 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No