Information card for entry 4085397

Structure parameters

• Common name: 5 in manuscript
• Formula: C39 H56 Br2 Li2 N4 O2
• Calculated formula: C43 H56 Br2 Li2 N4 O2
• Title of publication: Lithium Complexes of Neutral Bis-NHC Ligands
• Authors of publication: Brendel, Matthias; Wenz, Jan; Shishkov, Igor V.; Rominger, Frank; Hofmann, Peter
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 669
• a: 22.395 ± 0.004 Å
• b: 18.564 ± 0.003 Å
• c: 14.16 ± 0.003 Å
• α: 90°
• β: 128.579 ± 0.005°
• γ: 90°
• Cell volume: 4602.1 ± 1.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1229
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No