Information card for entry 7014219

Structure parameters

• Formula: C66 H82 Al Cl N4 O2
• Calculated formula: C66 H82 Al Cl N4 O2
• SMILES: [Al]12(Cl)(Oc3c(cc(cc3/C=N/c3c(cccc3C(C)C)C(C)C)C)C=[N]1c1c(cccc1C(C)C)C(C)C)Oc1c(cc(cc1/C=N/c1c(cccc1C(C)C)C(C)C)C)C=[N]2c1c(cccc1C(C)C)C(C)C
• Title of publication: Bis(imino)phenoxide complexes of aluminium.
• Authors of publication: Gibson, Vernon C.; Nienhuis, Drew; Redshaw, Carl; White, Andrew J. P.; Williams, David J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 11
• Pages of publication: 1761 - 1765
• a: 15.5342 ± 0.0015 Å
• b: 8.9196 ± 0.0012 Å
• c: 21.608 ± 0.002 Å
• α: 90°
• β: 90.296 ± 0.009°
• γ: 90°
• Cell volume: 2993.9 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections: 0.1592
• Weighted residual factors for significantly intense reflections: 0.1463
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No