Information card for entry 4066856

Structure parameters

• Common name: 10007a
• Formula: C25 H23 Cr Ni O3 P
• Calculated formula: C25 H23 Cr Ni O3 P
• SMILES: [Cr]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: 8.3909 ± 0.001 Å
• b: 10.9602 ± 0.0012 Å
• c: 13.1562 ± 0.0015 Å
• α: 97.727 ± 0.001°
• β: 108.487 ± 0.001°
• γ: 102.647 ± 0.001°
• Cell volume: 1092.1 ± 0.2 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: 0.0372
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No