Information card for entry 4079300

Structure parameters

• Common name: compound 6
• Formula: C37 H37 Cl P2 Ru
• Calculated formula: C37 H37 Cl P2 Ru
• SMILES: C1[C]2(=[CH]3[C]4(=[CH2][Ru]1234([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)c1ccccc1)Cl)C)C
• 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: 9.8512 ± 0.0002 Å
• b: 9.9517 ± 0.0003 Å
• c: 17.527 ± 0.0005 Å
• α: 94.129 ± 0.001°
• β: 101.132 ± 0.002°
• γ: 109.474 ± 0.002°
• Cell volume: 1572.14 ± 0.08 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: 0.0522
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No