Information card for entry 4078224

Structure parameters

• Formula: C78 H110 O6 P4 Ru2
• Calculated formula: C78 H110 O6 P4 Ru2
• SMILES: [Ru]12345([P]6(Oc7ccc(c(c7c7c(c(ccc7O6)C)C)C)C)Oc6c([P]1(C(C)C)C(C)C)cccc6)([CH2]=[CH]2(C3)C)[CH2]=[CH]4(C5)C.CCCCCC
• Title of publication: Synthesis, Characterization, and Reactivity of Ruthenium Bis-Allyl Complexes with Chiral Phosphine-Phosphite Ligands
• Authors of publication: Vaquero, Mónica; Vargas, Sergio; Suárez, Andrés; Garc\?ía-Garrido, Sergio E.; Álvarez, Eleuterio; Mancera, Manuel; Pizzano, Antonio
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3551
• a: 14.2819 ± 0.0003 Å
• b: 9.155 ± 0.0002 Å
• c: 28.3217 ± 0.0005 Å
• α: 90°
• β: 99.992 ± 0.001°
• γ: 90°
• Cell volume: 3646.92 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No