Information card for entry 4068792

Structure parameters

• Common name: in paper 4a
• Formula: C30 H42 B Li N4 O
• Calculated formula: C30 H42 B Li N4 O
• Title of publication: New Structural Motifs of Lithium N-Heterocyclic Carbene Complexes with Bis(3-tert-butylimidazol-2-ylidene)dialkylborate Ligands†
• Authors of publication: Shishkov, Igor V.; Rominger, Frank; Hofmann, Peter
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3532
• a: 18.592 ± 0.0008 Å
• b: 16.6504 ± 0.0007 Å
• c: 19.6531 ± 0.0009 Å
• α: 90°
• β: 93.19 ± 0.001°
• γ: 90°
• Cell volume: 6074.5 ± 0.5 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: 0.1242
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No