Information card for entry 7032280

Structure parameters

• Formula: C26 H30 Cl N3 Ru
• Calculated formula: C26 H30 Cl N3 Ru
• SMILES: [RuH]12345(Cl)([c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C)c1n(n[n+](c1c1ccccc1)C)Cc1ccccc1
• Title of publication: Half sandwich ruthenium(ii) hydrides: hydrogenation of terminal, internal, cyclic and functionalized olefins.
• Authors of publication: Bagh, Bidraha; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15638 - 15645
• a: 16.779 ± 0.004 Å
• b: 10.771 ± 0.002 Å
• c: 14.126 ± 0.003 Å
• α: 90°
• β: 113.246 ± 0.007°
• γ: 90°
• Cell volume: 2345.7 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0738
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No