Information card for entry 7049509

Structure parameters

• Formula: C49 H52 Al2 Li2 N4 O4
• Calculated formula: C49 H52 Al2 Li2 N4 O4
• Title of publication: Deprotonation, insertion and isomerisation in the post-functionalisation of tris-pyridyl aluminates.
• Authors of publication: Plajer, Alex J.; Kopf, Sara; Colebatch, Annie L.; Bond, Andrew D.; Wright, Dominic S.; García-Rodríguez, Raúl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 17
• Pages of publication: 5692 - 5697
• a: 11.9268 ± 0.0003 Å
• b: 25.7178 ± 0.0007 Å
• c: 15.3307 ± 0.0004 Å
• α: 90°
• β: 100.082 ± 0.0013°
• γ: 90°
• Cell volume: 4629.8 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.0613
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No