Information card for entry 4064834

Structure parameters

• Formula: C41 H30 Cl8 O P2 Pd
• Calculated formula: C41 H30 Cl8 O P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](C(=C=C2c3c(c4ccccc24)cccc3)P(=[O]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 9.4807 ± 0.0003 Å
• b: 14.3847 ± 0.0004 Å
• c: 30.6171 ± 0.0009 Å
• α: 90°
• β: 97.547 ± 0.003°
• γ: 90°
• Cell volume: 4139.3 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No