Information card for entry 7104158

Structure parameters

• Formula: C35 H55 B Cl5 N4 P Ru S2
• Calculated formula: C35 H55 B Cl5 N4 P Ru S2
• Title of publication: A 'sting' on Grubbs' catalyst: an insight into hydride migration between boron and a transition metal.
• Authors of publication: Rudolf, Georg C; Hamilton, Alex; Orpen, A Guy; Owen, Gareth R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 5
• Pages of publication: 553 - 555
• a: 9.892 ± 0.003 Å
• b: 26.144 ± 0.008 Å
• c: 16.446 ± 0.005 Å
• α: 90°
• β: 92.859 ± 0.004°
• γ: 90°
• Cell volume: 4248 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• 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: 0.0913
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.6893 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No