Information card for entry 7040766

Structure parameters

• Formula: C32 H41 Al B Cl5 N2
• Calculated formula: C32 H41 Al B Cl5 N2
• SMILES: Cl[Al](Cl)(Cl)[Cl-].ClC1=[N](c2c(C(C)C)cccc2C(C)C)B(N(c2c(cccc2C(C)C)C(C)C)C1)c1ccccc1
• Title of publication: Synthesis and reactivity of N,N'-1,4-diazabutadiene derived borocations.
• Authors of publication: Lawson, James R.; Wilkins, Lewis C.; André, Manon; Richards, Emma C.; Ali, Mohammed N.; Platts, James A.; Melen, Rebecca L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 41
• Pages of publication: 16177 - 16181
• a: 18.9942 ± 0.0004 Å
• b: 18.2174 ± 0.0004 Å
• c: 10.5733 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3658.63 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No