Information card for entry 4083517

Structure parameters

• Formula: C77 H128 B N3 O2 P2 Ru2
• Calculated formula: C77 H120 B N3 O2 P2 Ru2
• 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: 10.7622 ± 0.0006 Å
• b: 15.6094 ± 0.0008 Å
• c: 23.3584 ± 0.0012 Å
• α: 71.617 ± 0.0014°
• β: 83.127 ± 0.0017°
• γ: 84.786 ± 0.0015°
• Cell volume: 3691.1 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1047
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No