Information card for entry 4082143

Structure parameters

• Formula: C66.06 H53.12 B Cl2.12 F4 O4 P2 Ru
• Calculated formula: C66.058 H53.116 B Cl2.116 F4 O4 P2 Ru
• Title of publication: Mapping the Elimination of Water from Hydroxyvinylidene Complexes of Ruthenium(II): Access to Allenylidene and Vinylvinylidene Complexes in a Stepwise Fashion
• Authors of publication: Smith, Elizabeth J.; Johnson, David G.; Thatcher, Robert J.; Whitwood, Adrian C.; Lynam, Jason M.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7407
• a: 12.984 ± 0.0004 Å
• b: 14.1298 ± 0.0005 Å
• c: 18.118 ± 0.0006 Å
• α: 89.703 ± 0.003°
• β: 81.511 ± 0.003°
• γ: 63.313 ± 0.003°
• Cell volume: 2930.29 ± 0.19 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No