Information card for entry 4075275

Structure parameters

• Chemical name: Tris(trimethylphosphine)(η^3^-allyl)nickel(ii)hexafluorophosphate
• Formula: C12 H32 F6 Ni P4
• Calculated formula: C12 H32 F6 Ni P4
• Title of publication: Structural Properties and Dynamics of Five-Coordinate Nickel(II)−π-Allyl Complexes Containing Monodentate Phosphorus Ligands
• Authors of publication: Rufińska, Anna; Goddard, Richard; Weidenthaler, Claudia; Bühl, Michael; Pörschke, Klaus-Richard
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 2308
• a: 10.3078 ± 0.0002 Å
• b: 12.9243 ± 0.0002 Å
• c: 15.9969 ± 0.0003 Å
• α: 90°
• β: 90.162 ± 0.001°
• γ: 90°
• Cell volume: 2131.12 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No