Information card for entry 7707980

Structure parameters

• Formula: C29 H53 Cl P2 Ru
• Calculated formula: C29 H53 Cl P2 Ru
• SMILES: [RuH2]12([P](C[C@@H]3[C@@H]2[C@@H](Cc2c(cccc2)C3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)Cl
• Title of publication: Carbocyclic pincer carbene complexes of ruthenium: syntheses and reversible hydrogenation.
• Authors of publication: Wiedmaier, Nicholas R.; Schubert, Hartmut; Mayer, Hermann A.; Wesemann, Lars
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 34
• Pages of publication: 11814 - 11820
• a: 8.3945 ± 0.0002 Å
• b: 21.4072 ± 0.0005 Å
• c: 16.9249 ± 0.0004 Å
• α: 90°
• β: 95.588 ± 0.001°
• γ: 90°
• Cell volume: 3027 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No