Information card for entry 4070528

Structure parameters

• Formula: C62 H48 I P3 Ru
• Calculated formula: C62 H48 I P3 Ru
• SMILES: I[RuH]1([P](c2ccc3ccccc3c2c2c([P]1(c1ccccc1)c1ccccc1)ccc1ccccc21)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Use of an Iodide-Modified Merrifield Resin in the Synthesis of Ruthenium Hydride Complexes. The Structure of RuHI((R)-binap)(PPh3)
• Authors of publication: Zhao, Xiaoxi; Ivanova, Nina; Hadzovic, Alen; Zimmer-De Iuliis, Marco; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 503
• a: 11.1598 ± 0.0002 Å
• b: 14.9046 ± 0.0002 Å
• c: 29.3635 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4884.1 ± 0.13 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No