Information card for entry 7002702

Structure parameters

• Formula: C52.75 H47 Cl1.5 F3 O4.25 P2 Ru S
• Calculated formula: C52.75 H47 Cl1.5 F3 O4.25 P2 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: 12.3192 ± 0.001 Å
• b: 12.4402 ± 0.001 Å
• c: 31.194 ± 0.003 Å
• α: 90°
• β: 94.15 ± 0.002°
• γ: 90°
• Cell volume: 4768 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No