Information card for entry 4341025

Structure parameters

• Formula: C28 H32 F6 N8 P2 Ru
• Calculated formula: C28 H32 F6 N8 P2 Ru
• SMILES: [RuH]12([P]34CN5CN(C4)CN(C3)C5)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Kinetic aspects for the reduction of CO₂ and CS₂ with mixed-ligand ruthenium(II) hydride complexes containing phosphine and bipyridine.
• Authors of publication: Huang, Jing; Chen, Jinzhu; Gao, Hui; Chen, Limin
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 9570 - 9580
• a: 14.234 ± 0.002 Å
• b: 14.649 ± 0.002 Å
• c: 14.371 ± 0.002 Å
• α: 90°
• β: 93.162 ± 0.002°
• γ: 90°
• Cell volume: 2992 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.0288
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No