Information card for entry 7707305

Structure parameters

• Formula: C46 H54 Al Cl4 Cu N4
• Calculated formula: C46 H54 Al Cl4 Cu N4
• SMILES: [Cu]1(N(c2c(Cl)cccc2Cl)C(=CC(=[N]1c1c(Cl)cccc1Cl)C)C)[Al]1N(C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: 1^st row transition metal aluminylene complexes: preparation, properties and bonding analysis.
• Authors of publication: Kong, Richard Y.; Crimmin, Mark R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 22
• Pages of publication: 7810 - 7817
• a: 11.11938 ± 0.00013 Å
• b: 20.2656 ± 0.0002 Å
• c: 20.5958 ± 0.0002 Å
• α: 90°
• β: 96.1813 ± 0.001°
• γ: 90°
• Cell volume: 4614.09 ± 0.08 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 6
• 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: 0.0672
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No