Information card for entry 4306602

Structure parameters

• Formula: C95 H144 B2 Cl2 Li4 N6 O4
• Calculated formula: C95 H144 B2 Cl2 Li4 N6 O4
• Title of publication: Reluctance of 4-Chloro-5-metalla-1,3,2-diazaborolines To Undergo Metal Halide β-Elimination: An Opportunity for C-Functionalization of 1,3,2-Diazaborolines
• Authors of publication: Emrah Giziroglu; Bruno Donnadieu; Guy Bertrand
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9751 - 9753
• a: 17.676 ± 0.006 Å
• b: 17.74 ± 0.007 Å
• c: 17.896 ± 0.007 Å
• α: 69.006 ± 0.005°
• β: 74.771 ± 0.005°
• γ: 72.182 ± 0.005°
• Cell volume: 4913 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1814
• Residual factor for significantly intense reflections: 0.1597
• Weighted residual factors for significantly intense reflections: 0.4427
• Weighted residual factors for all reflections included in the refinement: 0.4533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No