Information card for entry 1572472

Structure parameters

• Formula: C63 H98 Al N5 O
• Calculated formula: C63 H98 Al N5 O
• Title of publication: On the nature and limits of alkaline earth-triel bonding.
• Authors of publication: Boronski, Josef T.; Griffin, Liam P.; Conder, Caroline; Crumpton, Agamemnon E.; Wales, Lewis L.; Aldridge, Simon
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 15377 - 15384
• a: 13.87645 ± 0.00013 Å
• b: 21.59607 ± 0.00019 Å
• c: 20.08526 ± 0.00015 Å
• α: 90°
• β: 102.734 ± 0.0008°
• γ: 90°
• Cell volume: 5871.03 ± 0.09 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0698
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No