Information card for entry 7030301

Structure parameters

• Formula: C38 H22 Cl2 F36 O2 P6 Ru2
• Calculated formula: C38 H22 Cl2 F36 O2 P6 Ru2
• SMILES: c12c3cccc2C[P]([Ru]1([P](C3)(C(F)(F)F)C(F)(F)F)([P](Cc1cc(ccc1)C[P](C(F)(F)F)(C(F)(F)F)[Ru]12(c3c(cccc3C[P]1(C(F)(F)F)C(F)(F)F)C[P]2(C(F)(F)F)C(F)(F)F)(C#[O])Cl)(C(F)(F)F)C(F)(F)F)(Cl)C#[O])(C(F)(F)F)C(F)(F)F
• 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: 38.3484 ± 0.0016 Å
• b: 15.6169 ± 0.0005 Å
• c: 9.1059 ± 0.0003 Å
• α: 90°
• β: 103.456 ± 0.003°
• γ: 90°
• Cell volume: 5303.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1455
• Residual factor for significantly intense reflections: 0.1387
• Weighted residual factors for significantly intense reflections: 0.3635
• Weighted residual factors for all reflections included in the refinement: 0.3659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No