Information card for entry 7106886

Structure parameters

• Formula: C20 H38 Cl F6 N2 Ni P3
• Calculated formula: C20 H38 Cl F6 N2 Ni P3
• SMILES: [Ni](Cl)([P](CC)(CC)CC)([P](CC)(CC)CC)=C1N(c2c(N1)cccc2)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis of complexes bearing NH,NMe-substituted NHCs by oxidative addition of 2-halogenato-N-methylbenzimidazoles to Ni0+
• Authors of publication: Tim Kosterke; Tania Pape; F. Ekkehardt Hahn
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10773
• a: 11.606 ± 0.0004 Å
• b: 16.3414 ± 0.0006 Å
• c: 15.5441 ± 0.0005 Å
• α: 90°
• β: 104.389 ± 0.001°
• γ: 90°
• Cell volume: 2855.59 ± 0.17 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0539
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No