Information card for entry 7112956

Structure parameters

• Formula: C34 H38 F6 N2 P2 Ru
• Calculated formula: C34 H38 F6 N2 P2 Ru
• SMILES: [Ru]12345([P](c6c(C[NH2]1)cccc6)(c1ccccc1)c1ccccc1)([n]1ccccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: The hydrogenation of molecules with polar bonds catalyzed by a ruthenium(II) complex bearing a chelating N-heterocyclic carbene with a primary amine donor.
• Authors of publication: O, Wylie W N; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 43
• Pages of publication: 8240 - 8242
• a: 8.6982 ± 0.0002 Å
• b: 20.6135 ± 0.0008 Å
• c: 19.4091 ± 0.0007 Å
• α: 90°
• β: 92.051 ± 0.002°
• γ: 90°
• Cell volume: 3477.8 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0754
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No