Information card for entry 7030304

Structure parameters

• Formula: C31 H23 F12 O P3 Ru
• Calculated formula: C31 H23 F12 O P3 Ru
• SMILES: [RuH]12([P](Cc3c2c(ccc3)C[P]1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• 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: 9.5524 ± 0.0005 Å
• b: 11.1009 ± 0.0007 Å
• c: 16.8061 ± 0.0009 Å
• α: 82.842 ± 0.004°
• β: 75.036 ± 0.004°
• γ: 68.235 ± 0.004°
• Cell volume: 1598.13 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No