Information card for entry 7049506

Structure parameters

• Formula: C72.93 H79.63 Al2 Li2 N6 O2
• Calculated formula: C72.928 H79.632 Al2 Li2 N6 O2
• 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: 10.7764 ± 0.0004 Å
• b: 11.6195 ± 0.0004 Å
• c: 15.5555 ± 0.0006 Å
• α: 72.5308 ± 0.0019°
• β: 75.6187 ± 0.0018°
• γ: 68.8699 ± 0.0016°
• Cell volume: 1711.41 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1169
• Residual factor for significantly intense reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.2911
• Weighted residual factors for all reflections included in the refinement: 0.3055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No