Information card for entry 7018557

Structure parameters

• Formula: C43 H31 Al Cl12 N6 O6
• Calculated formula: C43 H31 Al Cl12 N6 O6
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.[Al]123(OC(=CC(=[O]1)c1cnccc1)c1cnccc1)([O]=C(C=C(O2)c1cnccc1)c1cnccc1)[O]=C(C=C(O3)c1cnccc1)c1cnccc1
• Title of publication: Dipyridyl β-diketonate complexes and their use as metalloligands in the formation of mixed-metal coordination networks.
• Authors of publication: Burrows, Andrew D.; Mahon, Mary F.; Renouf, Catherine L.; Richardson, Christopher; Warren, Anna J.; Warren, John E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 4153 - 4163
• a: 10.207 ± 0.0002 Å
• b: 15.057 ± 0.0002 Å
• c: 33.318 ± 0.0005 Å
• α: 92.341 ± 0.001°
• β: 90.772 ± 0.001°
• γ: 96.535 ± 0.001°
• Cell volume: 5082.17 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.2327
• Weighted residual factors for all reflections included in the refinement: 0.254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No