Information card for entry 4082294

Structure parameters

• Formula: C48 H77 B Cl N4 P3 Ru
• Calculated formula: C48 H77 B Cl N4 P3 Ru
• SMILES: [Ru]123(Cl)[P](NCC[N]3(CCN[P]1(C(C)C)C(C)C)CC[N]2=P(C(C)C)C(C)C)(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: 11.5349 ± 0.0012 Å
• b: 12.5809 ± 0.0012 Å
• c: 18.0678 ± 0.0019 Å
• α: 75.243 ± 0.004°
• β: 78.031 ± 0.005°
• γ: 74.066 ± 0.004°
• Cell volume: 2411.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No