Information card for entry 7045161

Structure parameters

• Formula: C18 H36 B2 N8
• Calculated formula: C18 H36 B2 N8
• SMILES: N12[B]3([N]4=C5N([B]3([N]3=C1N(CCC2)CCC3)N(C)C)CCCN5CCC4)N(C)C
• Title of publication: Tuning the nucleophilicity of electron-rich diborane(4) compounds with bridging guanidinate substituents by substitution.
• Authors of publication: Horn, Julian; Widera, Anna; Litters, Sebastian; Kaifer, Elisabeth; Himmel, Hans-Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 6
• Pages of publication: 2009 - 2017
• a: 13.837 ± 0.003 Å
• b: 9.539 ± 0.0019 Å
• c: 15.937 ± 0.003 Å
• α: 90°
• β: 96.01 ± 0.03°
• γ: 90°
• Cell volume: 2092 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No