Information card for entry 7235547

Structure parameters

• Formula: C78 H72 B Cl P4 Ru
• Calculated formula: C78 H72 B Cl P4 Ru
• Title of publication: Synthesis, structure and catalytic properties of [Ru(dppp)2(CH3CN)Cl][BPh4] and isolation of catalytically active [Ru(dppp)2Cl][BPh4]: ruthenium catalysed alkyne homocoupling and tandem alkyne‒azide cycloaddition
• Authors of publication: Das, Uttam Kumar; Jena, Rajesh K.; Bhattacharjee, Manish
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 42
• Pages of publication: 21964
• a: 17.742 ± 0.005 Å
• b: 19.095 ± 0.005 Å
• c: 19.603 ± 0.005 Å
• α: 90 ± 0°
• β: 97.922 ± 0.005°
• γ: 90 ± 0°
• Cell volume: 6578 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.2284
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No