Information card for entry 4082292

Structure parameters

• Formula: C24 H57 Cl2 N4 P3 Ru
• Calculated formula: C24 H57 Cl2 N4 P3 Ru
• SMILES: [Ru]123(Cl)[P](NCC[N]3(CCN[P]1(C(C)C)C(C)C)CCN[P]2(C(C)C)C(C)C)(C(C)C)C(C)C.[Cl-]
• Title of publication: Synthesis and Reactivity of Ruthenium Hydride Complexes Containing a Tripodal Aminophosphine Ligand
• Authors of publication: Sgro, Michael J.; Dahcheh, Fatme; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 2
• Pages of publication: 578
• a: 8.4815 ± 0.0005 Å
• b: 18.0392 ± 0.0011 Å
• c: 20.9066 ± 0.0013 Å
• α: 90°
• β: 99.245 ± 0.003°
• γ: 90°
• Cell volume: 3157.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0645
• 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