Information card for entry 4078647

Structure parameters

• Formula: C72 H73 F6 O2 P5 Ru2
• Calculated formula: C72 H73 F6 O2 P5 Ru2
• Title of publication: Facile Decarboxylation of Propiolic Acid on a Ruthenium Center and Related Chemistry
• Authors of publication: Bowie, John H.; Bruce, Michael I.; Buntine, Mark A.; Gentleman, Alexander S.; Graham, David C.; Low, Paul J.; Metha, Gregory F.; Mitchell, Cassandra; Parker, Christian R.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5262
• a: 46.357 ± 0.003 Å
• b: 11.9083 ± 0.0008 Å
• c: 24.695 ± 0.002 Å
• α: 90°
• β: 107.864 ± 0.001°
• γ: 90°
• Cell volume: 12975.2 ± 1.6 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for significantly intense reflections: 1.013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No