Information card for entry 4064833

Structure parameters

• Formula: C42 H26 Cl O P
• Calculated formula: C42 H26 Cl O P
• SMILES: C1(=C(P(=O)(c2ccccc2)c2ccccc2)C2(c3ccccc3c3ccccc23)C1=C=C1c2ccccc2c2ccccc12)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: 9.8854 ± 0.0004 Å
• b: 12.6342 ± 0.0007 Å
• c: 13.3036 ± 0.0006 Å
• α: 84.502 ± 0.004°
• β: 78.088 ± 0.004°
• γ: 69.495 ± 0.005°
• Cell volume: 1522.25 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No