Information card for entry 7125830

Structure parameters

• Formula: C76 H114 Al2 K2 N6 O6 Si4
• Calculated formula: C76 H114 Al2 K2 N6 O6 Si4
• Title of publication: Synthesis and reactivity of a terminal aluminium-imide bond.
• Authors of publication: Anker, Mathew D.; Schwamm, Ryan J.; Coles, Martyn P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 15
• Pages of publication: 2288 - 2291
• a: 10.22272 ± 0.00006 Å
• b: 26.48398 ± 0.00015 Å
• c: 15.22743 ± 0.00009 Å
• α: 90°
• β: 93.9074 ± 0.0005°
• γ: 90°
• Cell volume: 4113.07 ± 0.04 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0313
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No