Information card for entry 4068789

Structure parameters

• Formula: C24 H30 B I N4
• Calculated formula: C24 H30 B I N4
• SMILES: [BH2]([n]1cn(cc1)c1c(C)cc(cc1C)C)[n]1cn(cc1)c1c(cc(cc1C)C)C.[I-]
• Title of publication: Bis(imidazolin-2-ylidene-1-yl)borate Complexes of the Heavier Alkaline Earths: Synthesis and Studies of Catalytic Hydroamination
• Authors of publication: Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1730
• a: 8.2566 ± 0.0001 Å
• b: 19.2495 ± 0.0003 Å
• c: 8.841 ± 0.0001 Å
• α: 90°
• β: 115.216 ± 0.001°
• γ: 90°
• Cell volume: 1271.25 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No