Information card for entry 7032155

Structure parameters

• Formula: C24 H40 B2 Cl2 N2 P2
• Calculated formula: C24 H40 B2 Cl2 N2 P2
• SMILES: c1(ccccc1)[B]1([N]([B](c2ccccc2)([N]1=P(CC)(CC)CC)Cl)=P(CC)(CC)CC)Cl
• Title of publication: Phosphinimine-substituted boranes and borenium ions.
• Authors of publication: Holthausen, Michael H.; Mallov, Ian; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 40
• Pages of publication: 15201 - 15211
• a: 10.1315 ± 0.0004 Å
• b: 10.0647 ± 0.0004 Å
• c: 13.7696 ± 0.0005 Å
• α: 90°
• β: 97.606 ± 0.002°
• γ: 90°
• Cell volume: 1391.74 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No