Information card for entry 2236806

Structure parameters

• Chemical name: <i>trans</i>-Bis[1,2- bis(diphenylphosphanyl)ethane]chlorido(ethynyl)ruthenium(II)
• Formula: C54 H49 Cl P4 Ru
• Calculated formula: C54 H49 Cl P4 Ru
• Title of publication: <i>trans</i>-Bis[1,2-bis(diphenylphosphanyl)ethane]chlorido(ethynyl)ruthenium(II)
• Authors of publication: Trujillo, Alexander; Fuentealba, Mauricio; Arratia-Perez, Ramiro; Howard, Judith A. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1445
• a: 10.92406 ± 0.00018 Å
• b: 16.0826 ± 0.0002 Å
• c: 13.2228 ± 0.0002 Å
• α: 90°
• β: 105.255 ± 0.0017°
• γ: 90°
• Cell volume: 2241.22 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No