Information card for entry 4083525

Structure parameters

• Formula: C41 H84 F6 N3 O3 P3 Ru2
• Calculated formula: C41 H74 F6 N3 O3 P3 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: 10.213 ± 0.0003 Å
• b: 22.9982 ± 0.0005 Å
• c: 19.9737 ± 0.0006 Å
• α: 90°
• β: 90.325 ± 0.001°
• γ: 90°
• Cell volume: 4691.4 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No