Information card for entry 4064831

Structure parameters

• Formula: C30 H18 O2
• Calculated formula: C30 H18 O2
• Title of publication: κ1- and κ2-Complexes of Fluorenylidene‒Allenyl Phosphines and Phosphine Oxides with Palladium Chloride and Iron Carbonyl: Displacement of Trimethylsilyl by Diphenylphosphino via a Stabilized Carbanion
• Authors of publication: Milosevic, Sandra; Banide, Emilie V.; Müller-Bunz, Helge; Gilheany, Declan G.; McGlinchey, Michael J.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 14
• Pages of publication: 3804
• a: 11.5523 ± 0.0004 Å
• b: 11.9264 ± 0.0004 Å
• c: 17.104 ± 0.0006 Å
• α: 104.621 ± 0.003°
• β: 98.828 ± 0.003°
• γ: 101.907 ± 0.003°
• Cell volume: 2177.95 ± 0.14 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No