Information card for entry 2011055

Structure parameters

• Chemical name: (Acetonitrile-N)(o-benzoquinone diimine-N,N')chloro-trans- bis(triphenylphosphine-P)ruthenium(II) hexafluorophosphate 0.25-hydrate
• Formula: C44 H39.5 Cl F6 N3 O0.25 P3 Ru
• Calculated formula: C44 H39 Cl F6 N3 O0.25 P3 Ru
• Title of publication: (Acetonitrile-<i>N</i>)(<i>o</i>-benzoquinone diimine-<i>N</i>,<i>N</i>')chloro-<i>trans</i>-bis(triphenylphosphine-<i>P</i>)ruthenium(II) hexafluorophosphate 0.25-hydrate
• Authors of publication: Venegas-Yazigi, Diego; Mirza, Hameed; Lever, A. B. P.; Lough, Alan J.; Costamagna, Juan; Latorre, Ramón
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: e247 - e248
• a: 24.2211 ± 0.0008 Å
• b: 10.6752 ± 0.0004 Å
• c: 35.1913 ± 0.0012 Å
• α: 90°
• β: 107.747 ± 0.002°
• γ: 90°
• Cell volume: 8666.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.165
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes