Information card for entry 4082299

Structure parameters

• Formula: C56 H82 B N4 P3 Ru
• Calculated formula: C56 H82 B N4 P3 Ru
• SMILES: [Ru]1234[P](NCC[N]4(CCN[P]1(C(C)C)C(C)C)CC[N]3=P(C(C)C)(C(C)C)/C2=C\c1ccccc1)(C(C)C)C(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.3135 ± 0.0005 Å
• b: 13.4163 ± 0.0005 Å
• c: 18.6741 ± 0.0007 Å
• α: 87.76 ± 0.002°
• β: 86.12 ± 0.002°
• γ: 86.646 ± 0.002°
• Cell volume: 2821.36 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No