Information card for entry 4304211

Structure parameters

• Formula: C61 H68 B Cl3 F4 P4 Ru
• Calculated formula: C61 H68 B Cl3 F4 P4 Ru
• SMILES: [Ru]123([P](CC[P]1(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)([P](CC[P]2(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)([H][H]3)Cl.ClCCl.[B](F)(F)(F)[F-]
• Title of publication: Influence of the Electronics of the Phosphine Ligands on the H-H Bond Elongation in Dihydrogen Complexes
• Authors of publication: Saikat Dutta; Balaji R. Jagirdar; Munirathinam Nethaji
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 548 - 557
• a: 11.935 ± 0.003 Å
• b: 14.451 ± 0.004 Å
• c: 17.166 ± 0.005 Å
• α: 77.478 ± 0.004°
• β: 87.307 ± 0.004°
• γ: 79.995 ± 0.004°
• Cell volume: 2846.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No