Information card for entry 2012348

Structure parameters

• Chemical name: Dibromo{N-[2-(diphenylphosphino)benzylidene]-2,6-diisopropylaniline- κ^2^N,P}nickel
• Formula: C31 H32 Br2 N Ni P
• Calculated formula: C31 H32 Br2 N Ni P
• SMILES: [Ni]1(Br)(Br)[N](c2c(cccc2C(C)C)C(C)C)=Cc2c(cccc2)[P]1(c1ccccc1)c1ccccc1
• Title of publication: Dibromo{<i>N</i>-[2-(diphenylphosphino)benzylidene]-2,6-diisopropylaniline-κ^2^<i>N</i>,<i>P</i>}nickel
• Authors of publication: Crossetti, Geraldo L.; Filgueiras, Carlos A. L.; Howie, R. Alan; Wardell, James L.; Ziglio, Claudio M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: 1279 - 1281
• a: 10.6639 ± 0.0002 Å
• b: 14.4016 ± 0.0003 Å
• c: 19.7744 ± 0.0004 Å
• α: 90°
• β: 105.27 ± 0.0013°
• γ: 90°
• Cell volume: 2929.68 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0618
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes