Information card for entry 4066863

Structure parameters

• Common name: 08119
• Formula: C28 H27 Mo Ni O3 P
• Calculated formula: C28 H27 Mo Ni O3 P
• SMILES: [Mo]1234567([Ni]89([P](CC[c]%103[cH]7[cH]6[cH]5[cH]4%10)(c3ccccc3)c3ccccc3)(C1=O)(C2=O)[CH]1=[CH]8C9CCC1)C#[O]
• 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: 9.3808 ± 0.0015 Å
• b: 11.3623 ± 0.0018 Å
• c: 22.969 ± 0.004 Å
• α: 90°
• β: 97.013 ± 0.003°
• γ: 90°
• Cell volume: 2429.9 ± 0.7 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: 0.0324
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No