Information card for entry 7021819

Structure parameters

• Common name: in manuscript tBu-1a/tBu-1b (SI)
• Formula: C8 H14 Cl I N2
• Calculated formula: C8 H14 Cl0.8589 I1.1411 N2
• Title of publication: A short and modular synthesis of bulky and electron-rich N-phosphinomethyl-functionalised N-heterocyclic carbene complexes.
• Authors of publication: Brill, Marcel; Kühnel, Erik; Scriban, Corina; Rominger, Frank; Hofmann, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 12861 - 12864
• a: 6.8708 ± 0.0009 Å
• b: 9.2157 ± 0.0012 Å
• c: 18.433 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1167.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No