Information card for entry 4109626

Structure parameters

• Common name: [(i-Pr2Ph)2nacnacCr]2(NPh)2
• Formula: C77.5 H107 Cr2 N6 O1.5
• Calculated formula: C70 H92 Cr2 N6
• Title of publication: Binding and Activation of Small Molecules by Three-Coordinate Cr(I)
• Authors of publication: Wesley H. Monillas; Glenn P. A. Yap; Leonard A. MacAdams; Klaus H. Theopold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 8090 - 8091
• a: 17.737 ± 0.008 Å
• b: 19.148 ± 0.008 Å
• c: 23.533 ± 0.008 Å
• α: 90°
• β: 98.279 ± 0.007°
• γ: 90°
• Cell volume: 7909 ± 6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1473
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No