Information card for entry 4082142

Structure parameters

• Formula: C48.15 H49.6 B F4 O5 P2 Ru
• Calculated formula: C48.1475 H49.599 B F4 O4.9985 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: 13.7465 ± 0.0005 Å
• b: 18.704 ± 0.0007 Å
• c: 19.7169 ± 0.0006 Å
• α: 109.732 ± 0.003°
• β: 90.58 ± 0.003°
• γ: 107.771 ± 0.003°
• Cell volume: 4507.8 ± 0.3 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 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: 0.0647
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No