Information card for entry 2210767

Structure parameters

• Chemical name: trans-(Acetonitrile)bis[1,2-bis(diphenylphosphino)ethane- κ^2^P,P'](phenylethynyl)ruthenium(II) hexafluorophosphate ethanol hemisolvate
• Formula: C63 H59 F6 N O0.5 P5 Ru
• Calculated formula: C63 H56 F6 N O0.5 P5 Ru
• Title of publication: <i>trans</i>-(Acetonitrile)bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>'](phenylethynyl)ruthenium(II) hexafluorophosphate ethanol hemisolvate
• Authors of publication: Anthony C. Willis; Clem E. Powell; Mark G. Humphrey
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2473 - m2475
• a: 18.4312 ± 0.0002 Å
• b: 17.0281 ± 0.0002 Å
• c: 18.5444 ± 0.0002 Å
• α: 90°
• β: 101.193 ± 0.0004°
• γ: 90°
• Cell volume: 5709.42 ± 0.11 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes