Information card for entry 7018060

Structure parameters

• Formula: C16 H20 B2 N4
• Calculated formula: C16 H20 B2 N4
• SMILES: B1(N(c2c(N1C)cccc2)C)B1N(c2c(N1C)cccc2)C
• Title of publication: Diborane(4) compounds with bidentate diamino groups.
• Authors of publication: Xie, Xiaochen; Haddow, Mairi F.; Mansell, Stephen M.; Norman, Nicholas C.; Russell, Christopher A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 2140 - 2147
• a: 14.3806 ± 0.0005 Å
• b: 8.3655 ± 0.0003 Å
• c: 26.4698 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3184.34 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No