Information card for entry 7060187

Structure parameters

• Formula: C42 H60 Al2 Cl4 N4
• Calculated formula: C42 H60 Al2 Cl4 N4
• SMILES: Cl[Al]1(Cl)[N](c2c(cccc2C(C)C)C(C)C)=C(N1Cc1cccc(c1)CN1[Al](Cl)(Cl)[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: 17.8904 ± 0.0002 Å
• b: 15.60507 ± 0.00014 Å
• c: 16.45733 ± 0.00019 Å
• α: 90°
• β: 101.73 ± 0.0012°
• γ: 90°
• Cell volume: 4498.61 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0344
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No