Information card for entry 7036478

Structure parameters

• Formula: C71 H98 Al2 N4 Si
• Calculated formula: C71 H98 Al2 N4 Si
• SMILES: [Al]1([N](=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(C(C)C)cccc1C(C)C)(C(=C(\[Al]1([N](=C(N1c1c(C(C)C)cccc1C(C)C)C)c1c(cccc1C(C)C)C(C)C)C)c1ccc([Si](C)(C)C)cc1)\c1ccccc1)C
• Title of publication: Addition of in situ reduced amidinato-methylaluminium chloride to acetylenes.
• Authors of publication: Chlupatý, T; Turek, J.; De Proft, F.; Růžičková, Z; Růžička, A
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 40
• Pages of publication: 17462 - 17466
• a: 10.623 ± 0.0008 Å
• b: 15.659 ± 0.0008 Å
• c: 22.1571 ± 0.0011 Å
• α: 98.155 ± 0.004°
• β: 99.819 ± 0.005°
• γ: 107.948 ± 0.005°
• Cell volume: 3379.9 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.1214
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No