Information card for entry 7032116

Structure parameters

• Formula: C34.36 H54.29 B Cl3 N3 P
• Calculated formula: C34.356 H54.288 B Cl3 N3 P
• Title of publication: Dihaloborenium cations stabilized by a four-membered N-heterocyclic carbene: electron deficiency compensation by asymmetric structural changes.
• Authors of publication: Tay, Madelyn Qin Yi; Murugesapandian, Balasubramanian; Lu, Yunpeng; Ganguly, Rakesh; Rei, Kinjo; Vidović, Dragoslav
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15313 - 15316
• a: 10.314 ± 0.004 Å
• b: 18.597 ± 0.01 Å
• c: 19.16 ± 0.011 Å
• α: 90°
• β: 99.535 ± 0.019°
• γ: 90°
• Cell volume: 3624 ± 3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• 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: 0.144
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No