Information card for entry 4066867

Structure parameters

• Common name: 08162a
• Formula: C25 H23 O3 P Pd W
• Calculated formula: C25 H23 O3 P Pd W
• SMILES: [Pd]12345([W]6789(C#[O])(C1=O)(C2=O)[c]1([cH]6[cH]7[cH]8[cH]91)CC[P]3(c1ccccc1)c1ccccc1)[CH2]=[CH]4C5
• Title of publication: Allylnickel(II) and Allylpalladium(II) Derivatives of [(2-(Diphenylphosphino)ethyl)cyclopentadienyl]tricarbonylmetalates: Reactions with Free Radicals
• Authors of publication: Fischer, Paul J.; Neary, Michelle C.; Heerboth, Aaron P.; Sullivan, Kevin P.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4562
• a: 8.5381 ± 0.0011 Å
• b: 11.2989 ± 0.0014 Å
• c: 13.2368 ± 0.0017 Å
• α: 72.732 ± 0.002°
• β: 73.085 ± 0.002°
• γ: 78.033 ± 0.002°
• Cell volume: 1156.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No