Information card for entry 4078720

Structure parameters

• Formula: C77 H60 Cl3 N5 P2 Ru2
• Calculated formula: C77 H60 Cl3 N5 P2 Ru2
• Title of publication: A Ruthenated [3]Dendralene from Phenylethyne and an η3-Butadienyl‒Ruthenium Complex
• Authors of publication: Bruce, Michael I.; Skelton, Brian W.; Zaitseva, Natasha N.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 14
• Pages of publication: 5034
• a: 16.233 ± 0.002 Å
• b: 21.0315 ± 0.0009 Å
• c: 20.908 ± 0.003 Å
• α: 90°
• β: 111.963 ± 0.017°
• γ: 90°
• Cell volume: 6620 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1328
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No