Information card for entry 4079299

Structure parameters

• Common name: compound 5
• Formula: C35 H33 Cl P2 Ru
• Calculated formula: C35 H33 Cl P2 Ru
• SMILES: [CH2]1=[CH]2[CH]3=[CH]4C[Ru]1234([P](c1ccccc1)(c1ccccc1)c1ccccc1)([PH](c1ccccc1)c1ccccc1)Cl
• Title of publication: Half-Sandwich Ruthenium-Phosphine Complexes with Pentadienyl and Oxo- and Azapentadienyl Ligands
• Authors of publication: Reyna-Madrigal, Amira; Moreno-Gurrola, Anabel; Perez-Camacho, Odilia; Navarro-Clemente, M. Elena; Juárez-Saavedra, Patricia; Leyva-Ramirez, Marco A.; Arif, Atta M.; Ernst, Richard D.; Paz-Sandoval, M. Angeles
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7125
• a: 10.3273 ± 0.0005 Å
• b: 10.9844 ± 0.0004 Å
• c: 13.2916 ± 0.0007 Å
• α: 80.67 ± 0.003°
• β: 80.643 ± 0.002°
• γ: 88.944 ± 0.003°
• Cell volume: 1468 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0802
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No