Information card for entry 7007856

Structure parameters

• Chemical name: Bis{(2,4,6-Trimethyl-phenyl)-(pyrrolato)} nickel
• Formula: C28 H30 N4 Ni
• Calculated formula: C28 H30 N4 Ni
• Title of publication: Chelating N-pyrrolylphosphino-N'-arylaldimine ligands: synthesis, ligand behaviour and applications in catalysis.
• Authors of publication: Anderson, Carly E.; Batsanov, Andrei S.; Dyer, Philip W.; Fawcett, John; Howard, Judith A. K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 45
• Pages of publication: 5362 - 5378
• a: 10.0308 ± 0.001 Å
• b: 12.9207 ± 0.0013 Å
• c: 13.9514 ± 0.0014 Å
• α: 92.56 ± 0.01°
• β: 93.53 ± 0.01°
• γ: 91.99 ± 0.01°
• Cell volume: 1801.7 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No