Information card for entry 4066859

Structure parameters

• Common name: 08033t
• Formula: C26 H25 Cr Ni O3 P
• Calculated formula: C26 H25 Cr Ni O3 P
• SMILES: [Ni]12345([Cr]6789(C2=O)(C3=O)(C#[O])[c]2([cH]6[cH]7[cH]8[cH]92)CC[P]1(c1ccccc1)c1ccccc1)[CH2]=[C]4(C5)C
• 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: 11.393 ± 0.003 Å
• b: 8.755 ± 0.003 Å
• c: 22.628 ± 0.006 Å
• α: 90°
• β: 93.019 ± 0.005°
• γ: 90°
• Cell volume: 2253.9 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0462
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No