Information card for entry 4341024

Structure parameters

• Formula: C38 H32 F6 N4 P2 Ru
• Calculated formula: C38 H32 F6 N4 P2 Ru
• SMILES: [RuH]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 14.617 ± 0.003 Å
• b: 14.713 ± 0.003 Å
• c: 16.966 ± 0.003 Å
• α: 77.737 ± 0.009°
• β: 86.071 ± 0.008°
• γ: 76.882 ± 0.006°
• Cell volume: 3471.6 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No