Information card for entry 1566934

Structure parameters

• Common name: LAlCu
• Formula: C41 H65 Al Cu N4 O0.5 P3
• Calculated formula: C41 H65 Al Cu N4 O0.5 P3
• Title of publication: One-electron bonds in copper-aluminum and copper-gallium complexes.
• Authors of publication: Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6525 - 6531
• a: 11.2148 ± 0.0007 Å
• b: 14.0921 ± 0.001 Å
• c: 14.3396 ± 0.0009 Å
• α: 70.906 ± 0.002°
• β: 82.68 ± 0.002°
• γ: 80.584 ± 0.002°
• Cell volume: 2106 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No