Information card for entry 2011246

Structure parameters

• Chemical name: Aquabis(benzonitrile)(o-benzoquinone diimine)(triphenylphosphine)ruthenium(II) bis(tetrafluoroborate) hydrate
• Formula: C38 H35 B2 F8 N4 O2 P Ru
• Calculated formula: C38 H35 B2 F8 N4 O2 P Ru
• Title of publication: Aquabis(benzonitrile)(<i>o</i>-benzoquinone diimine)(triphenylphosphine)ruthenium(II) bis(tetrafluoroborate) hydrate
• Authors of publication: Venegas-Yazigi, Diego; Lever, A. B. P.; Lough, Alan J.; Vega, Andrés; Paredes-García, Verónica; Costamagna, Juan; Latorre, Ramón
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: e323 - e324
• a: 13.0428 ± 0.0006 Å
• b: 15.053 ± 0.0011 Å
• c: 21.0245 ± 0.0015 Å
• α: 90°
• β: 103.05 ± 0.004°
• γ: 90°
• Cell volume: 4021.2 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.099
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes