Information card for entry 4066857

Structure parameters

• Common name: 09200a
• Formula: C25 H23 Mo Ni O3 P
• Calculated formula: C25 H23 Mo Ni O3 P
• SMILES: [Mo]1234567(C(=O)[Ni]897(C1=O)([P](CC[c]12[cH]3[cH]4[cH]5[cH]61)(c1ccccc1)c1ccccc1)[CH2]=[CH]8C9)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: 8.45 ± 0.002 Å
• b: 10.938 ± 0.003 Å
• c: 13.325 ± 0.004 Å
• α: 74.115 ± 0.003°
• β: 72.014 ± 0.003°
• γ: 78.008 ± 0.003°
• Cell volume: 1116.4 ± 0.5 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: 0.0516
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No