Information card for entry 2012039

Structure parameters

• Chemical name: Bis(μ-pyrrolidine-N:N)bis(dibromoboron)
• Formula: C8 H16 B2 Br4 N2
• Calculated formula: C8 H16 B2 Br4 N2
• SMILES: Br[B-]1(Br)[N+]2([B-](Br)(Br)[N+]31CCCC3)CCCC2
• Title of publication: Bis(μ-pyrrolidine-<i>N</i>:<i>N</i>)bis(dibromoboron), [(Br)~2~B(pyrrolidine)~2~B(Br)~2~]
• Authors of publication: Abu Ali, Hijazi; Goldberg, Israel; Srebnik, Morris
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 770 - 771
• a: 12.875 ± 0.0002 Å
• b: 6.996 ± 0.0001 Å
• c: 16.448 ± 0.0003 Å
• α: 90°
• β: 111.223 ± 0.0008°
• γ: 90°
• Cell volume: 1381.05 ± 0.04 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.037
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes