Information card for entry 7017505

Structure parameters

• Formula: C70 H100 Br2 N12 Ni O4
• Calculated formula: C70 H100 Br2 N12 Ni O4
• Title of publication: Bis-diimidazolylidine complexes of nickel: investigations into nickel catalyzed coupling reactions.
• Authors of publication: Paulose, Tressia A. P.; Wu, Shih-Chang; Olson, Jeremy A.; Chau, Tony; Theaker, Nikki; Hassler, Matt; Quail, J. Wilson; Foley, Stephen R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 251 - 260
• a: 11.8395 ± 0.0003 Å
• b: 13.6055 ± 0.0004 Å
• c: 13.846 ± 0.0003 Å
• α: 80.971 ± 0.002°
• β: 69.9533 ± 0.0015°
• γ: 73.854 ± 0.0016°
• Cell volume: 2007.88 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No