Information card for entry 7002706

Structure parameters

• Formula: C69.56 H59.11 Cl1.11 F3 O4 P3 Ru S
• Calculated formula: C69.556 H59.112 Cl1.112 F3 O4 P3 Ru S
• Title of publication: Ruthenium alkynyl, carbene and alkenyl complexes containing pendant uracil groups: an investigation into the formation of alkenyl-phosphonio complexes
• Authors of publication: Cowley, Michael J.; Lynam, Jason M.; Moneypenny, Robert S.; Whitwood, Adrian C.; Wilson, Alastair J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9529 - 9542
• a: 10.3173 ± 0.0014 Å
• b: 14.38 ± 0.002 Å
• c: 20.203 ± 0.003 Å
• α: 82.335 ± 0.003°
• β: 88.087 ± 0.003°
• γ: 80.744 ± 0.003°
• Cell volume: 2931.7 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0784
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No