Information card for entry 7036477

Structure parameters

• Formula: C68 H90 Al2 N4
• Calculated formula: C68 H90 Al2 N4
• SMILES: [Al]1([N](c2c(cccc2C(C)C)C(C)C)=C(N1c1c(C(C)C)cccc1C(C)C)C)(/C(=C(/[Al]1([N](=C(N1c1c(C(C)C)cccc1C(C)C)C)c1c(C(C)C)cccc1C(C)C)C)c1ccccc1)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: 20.482 ± 0.0017 Å
• b: 16.156 ± 0.0007 Å
• c: 20.007 ± 0.003 Å
• α: 90°
• β: 108.305 ± 0.01°
• γ: 90°
• Cell volume: 6285.5 ± 1.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No