Information card for entry 1566937

Structure parameters

• Common name: [LAlCu]2B12Cl12
• Formula: C78 H120 Al2 B12 Cl12 Cu2 N8 P6
• Calculated formula: C52 H80 Al1.33333 B8 Cl8 Cu1.33333 N5.33333 P4
• 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: 14.9086 ± 0.0007 Å
• b: 14.9086 ± 0.0007 Å
• c: 26.6016 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5120.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No