Information card for entry 7045162

Structure parameters

• Formula: C17 H26 B2 Cl2 F6 N6 O6 S2
• Calculated formula: C17 H26 B2 Cl2 F6 N6 O6 S2
• SMILES: S(=O)(=O)(O[B]12[N]3=C4N([B]2(OS(=O)(=O)C(F)(F)F)[N]2=C5N1CCCN5CCC2)CCCN4CCC3)C(F)(F)F.ClCCl
• 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: 15.694 ± 0.003 Å
• b: 15.531 ± 0.003 Å
• c: 22.791 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5555.2 ± 1.9 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• 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: 0.1135
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No