Information card for entry 4083523

Structure parameters

• Formula: C27 H66 F6 N5 P3 Ru2
• Calculated formula: C27 H66 F6 N5 P3 Ru2
• SMILES: [Ru]1234([RuH]([H]3)([H]4)([P](C(C)C)(C(C)C)C(C)C)[P](C(C)C)(C(C)C)C(C)C)([N]3(CC[N]1(CC[N]2(CC3)C)C)C)[N]#N.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Structure, and Reactivity of Mixed-Ligand Dinuclear Ruthenium Polyhydrido Complexes Supported by 1,4,7-Trimethyl-1,4,7-triazacyclononane and Bulky Phosphine Ligands
• Authors of publication: Namura, Kyo; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 2968
• a: 8.5536 ± 0.0004 Å
• b: 10.8439 ± 0.0007 Å
• c: 22.7252 ± 0.0011 Å
• α: 80.595 ± 0.002°
• β: 80.835 ± 0.0014°
• γ: 67.964 ± 0.0017°
• Cell volume: 1916.52 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No