Information card for entry 4104075

Structure parameters

• Common name: {[BP2]Cu(NTol2)}{Li(12-crown-4)2}
• Formula: C70.57 H118.12 B Cu Li N O10.02 P2
• Calculated formula: C70.568 H118.12 B Cu Li N O10.019 P2
• Title of publication: Three-Coordinate Copper(I) Amido and Aminyl Radical Complexes
• Authors of publication: Neal P. Mankad; William E. Antholine; Robert K. Szilagyi; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3878 - 3880
• a: 12.9114 ± 0.0009 Å
• b: 16.8578 ± 0.0012 Å
• c: 17.6005 ± 0.0012 Å
• α: 79.481 ± 0.001°
• β: 74.323 ± 0.001°
• γ: 80.225 ± 0.001°
• Cell volume: 3596.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No