Information card for entry 7035458

Structure parameters

• Formula: C38 H75 Al P Si4
• Calculated formula: C38 H75 Al P Si4
• Title of publication: Alkynyl functionalized Al/P-based frustrated Lewis pairs - aluminium alkynide elimination and evidence for the formation of 3H-phosphaallenes [R-P[double bond, length as m-dash]C[double bond, length as m-dash]C(H)-(t)Bu].
• Authors of publication: Klöcker, Hans; Roters, Steffi; Hepp, Alexander; Uhl, Werner
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12670 - 12679
• a: 10.1515 ± 0.0001 Å
• b: 11.7955 ± 0.0001 Å
• c: 21.0988 ± 0.0002 Å
• α: 96.655 ± 0.001°
• β: 94.507 ± 0.001°
• γ: 110.382 ± 0.001°
• Cell volume: 2333.01 ± 0.04 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No