Information card for entry 7060189

Structure parameters

• Formula: C37 H58 Al2 I4 N4
• Calculated formula: C37 H58 Al2 I4 N4
• SMILES: I[Al]1(I)[N](c2c(cccc2C(C)C)C(C)C)=C(N1CCCN1[Al](I)(I)[N](=C1C(C)(C)C)c1c(cccc1C(C)C)C(C)C)C(C)(C)C
• Title of publication: Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes
• Authors of publication: Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 972 - 981
• a: 10.2273 ± 0.0002 Å
• b: 13.8795 ± 0.0003 Å
• c: 17.1873 ± 0.0004 Å
• α: 66.377 ± 0.002°
• β: 86.7647 ± 0.0019°
• γ: 87.4261 ± 0.0019°
• Cell volume: 2231.06 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0396
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No