Information card for entry 1572469

Structure parameters

• Formula: C52 H67 Al Mg N2 O
• Calculated formula: C52 H67 Al Mg N2 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: 13.6415 ± 0.0002 Å
• b: 19.3339 ± 0.0003 Å
• c: 18.973 ± 0.0003 Å
• α: 90°
• β: 109.138 ± 0.0017°
• γ: 90°
• Cell volume: 4727.45 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.2016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No