Information card for entry 7106885

Structure parameters

• Formula: C20 H38 B Cl F4 N2 Ni P2
• Calculated formula: C20 H38 B Cl F4 N2 Ni P2
• SMILES: [Ni](Cl)([P](CC)(CC)CC)([P](CC)(CC)CC)=C1N(c2c(N1)cccc2)C.[B](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: 9.1013 ± 0.0005 Å
• b: 30.6853 ± 0.0018 Å
• c: 9.4384 ± 0.0006 Å
• α: 90°
• β: 90.129 ± 0.001°
• γ: 90°
• Cell volume: 2635.9 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No