Information card for entry 4084491

Structure parameters

• Chemical name: (η^6^-4H-cyclopenta[def]triphenylene)- (η^5^-pentaamethylcyclopentadienyl)ruthenium(II) hexafluorophosphate
• Formula: C30.5 H30 F6 O0.5 P Ru
• Calculated formula: C30.5 H30 F6 O0.5 P Ru
• Title of publication: Site Selectivity of [RuCp*]+Complexation in Cyclopenta[def]triphenylenes
• Authors of publication: Hoggard, Bryce R.; Larsen, Christopher B.; Lucas, Nigel T.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6200
• a: 13.8046 ± 0.0003 Å
• b: 12.8374 ± 0.0003 Å
• c: 30.8461 ± 0.0007 Å
• α: 90°
• β: 99.021 ± 0.002°
• γ: 90°
• Cell volume: 5398.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.072
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No