Information card for entry 4083521

Structure parameters

• Formula: C27 H67 N3 P2 Ru2
• Calculated formula: C27 H67 N3 P2 Ru2
• SMILES: [Ru]12345([RuH]([H]3)([H]4)([H]5)([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
• 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: 11.4893 ± 0.0008 Å
• b: 16.3668 ± 0.0009 Å
• c: 17.924 ± 0.0011 Å
• α: 90°
• β: 93.029 ± 0.002°
• γ: 90°
• Cell volume: 3365.8 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No