Information card for entry 4063690

Structure parameters

• Formula: C36.5 H41 Cl P2 Ru
• Calculated formula: C36.5 H41 Cl P2 Ru
• SMILES: [Ru]12345678(P9[C]4(=[C]3([C]2(=[C]19c1ccccc1)C)C)[C@@H](P(c1ccccc1)c1ccccc1)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.ClCCl
• Title of publication: Synthesis and Evaluation of Side-Arm-Alkylated Phosphametallocene Phosphines
• Authors of publication: Carmichael, Duncan; Klankermayer, Jürgen; Muller, Eric; Pietrusiewicz, K. Michal; Ricard, Louis; Seeboth, Nicolas; Sowa, Sylwia; Stankevič, Marek
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 1804
• a: 8.369 ± 0.001 Å
• b: 30.25 ± 0.001 Å
• c: 12.931 ± 0.001 Å
• α: 90°
• β: 90.7 ± 0.001°
• γ: 90°
• Cell volume: 3273.4 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0343
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No