Information card for entry 4085394

Structure parameters

• Common name: 2 in manuscript
• Formula: C19 H32 Br Li N4 O
• Calculated formula: C19 H32 Br Li N4 O
• SMILES: [Li]1(Br)(=C2N(C=CN2CN2C=1N(C=C2)C(C)(C)C)C(C)(C)C)[O]1CCCC1
• 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: 13.1261 ± 0.0004 Å
• b: 14.2984 ± 0.0004 Å
• c: 12.0267 ± 0.0003 Å
• α: 90°
• β: 103.119 ± 0.0007°
• γ: 90°
• Cell volume: 2198.29 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No