Information card for entry 4321278

Structure parameters

• Formula: C25 H48 Cl N P2 Ru
• Calculated formula: C25 H48 Cl N P2 Ru
• SMILES: [Ru]1(Cl)([n]2ccccc2C=C1)([P](C(C)C)(C(C)C)C(C)C)[P](C(C)C)(C(C)C)C(C)C
• Title of publication: Reactivity of [RuHCl(PiPr3)2]2 with Functionalized Vinyl Substrates. The H2 Ligand as a Sensitive Probe of Electronic Structure
• Authors of publication: Joseph N. Coalter; William E. Streib; Kenneth G. Caulton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3749 - 3756
• a: 36.815 ± 0.003 Å
• b: 8.8104 ± 0.0005 Å
• c: 18.9973 ± 0.0012 Å
• α: 90°
• β: 115.515 ± 0.003°
• γ: 90°
• Cell volume: 5560.9 ± 0.7 ų
• Cell temperature: 109 K
• Ambient diffraction temperature: 109 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0952
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No