Information card for entry 7035459

Structure parameters

• Formula: C44 H77 Al P2 Si4
• Calculated formula: C44 H77 Al P2 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: 14.6633 ± 0.0001 Å
• b: 21.8256 ± 0.0002 Å
• c: 15.4624 ± 0.0002 Å
• α: 90°
• β: 90.094 ± 0.001°
• γ: 90°
• Cell volume: 4948.51 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No