Information card for entry 2008654

Structure parameters

• Formula: C46 H45 Cl P2 Ru
• Calculated formula: C46 H45 Cl P2 Ru
• SMILES: [Ru](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([c]12C)([c]13C)([c]21C)([c]12C)[c]23C
• Title of publication: Chloro(pentamethyl-η^5^-cyclopentadienyl)bis(triphenylphosphine)ruthenium(II)
• Authors of publication: Ilia A. Guzei; M. Angeles Paz-Sandoval; Román Torres-Lubian; Patricia Juarez-Saavedra
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1090 - 1092
• a: 17.1543 ± 0.0008 Å
• b: 10.7312 ± 0.0005 Å
• c: 20.6138 ± 0.001 Å
• α: 90°
• β: 101.618 ± 0.001°
• γ: 90°
• Cell volume: 3717 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for all reflections included in the refinement: 0.0649
• 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