Information card for entry 7030300

Structure parameters

• Formula: C19 H23 Cl2 F12 N O P2 Ru
• Calculated formula: C19 H23 Cl2 F12 N O P2 Ru
• SMILES: [Ru]12(Cl)(Cl)([P](Cc3c2c(ccc3)C[P]1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)C#[O].[NH+](CC)(CC)CC
• Title of publication: Acceptor pincer Ru(II) chemistry.
• Authors of publication: Adams, Jeramie J.; Gruver, Brian C.; Donohoue, Rose; Arulsamy, Navamoney; Roddick, Dean M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 40
• Pages of publication: 12601 - 12611
• a: 10.5313 ± 0.0009 Å
• b: 10.8851 ± 0.001 Å
• c: 13.0549 ± 0.0011 Å
• α: 87.389 ± 0.005°
• β: 85.182 ± 0.004°
• γ: 67.29 ± 0.004°
• Cell volume: 1375.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No