Information card for entry 7715127

Structure parameters

• Formula: C78.97 H112 Br2 Cl2 Cu2 N2 P4
• Calculated formula: C78.976 H112 Br2 Cl2 Cu2 N2 P4
• Title of publication: Acridine-based copper(I) PNP pincer complexes: catalysts for alkyne hydroboration and borylation of aryl halides.
• Authors of publication: Olding, Angus; Lucas, Nigel T.; Ho, Curtis C.; Bissember, Alex C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4471 - 4478
• a: 11.0847 ± 0.0001 Å
• b: 31.6404 ± 0.0004 Å
• c: 22.2392 ± 0.0003 Å
• α: 90°
• β: 92.296 ± 0.001°
• γ: 90°
• Cell volume: 7793.57 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No