Information card for entry 4111716

Structure parameters

• Chemical name: (eta6-Benzene)dicarbonyl{P-bis(N-pyrrolyl)[2-(N,N-dimethylcarbamoyl)- pyrrolyl]phosphine}chromium(0)
• Formula: C23 H23 Cr N4 O3 P
• Calculated formula: C23 H23 Cr N4 O3 P
• Title of publication: Accelerated Arene Ligand Exchange in the (Arene)Cr(CO)2L Series
• Authors of publication: M. F. Semmelhack; Anatoly Chlenov; Douglas M. Ho
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 7759 - 7773
• a: 8.0625 ± 0.0001 Å
• b: 13.2833 ± 0.0002 Å
• c: 10.8836 ± 0.0002 Å
• α: 90°
• β: 108.951 ± 0.001°
• γ: 90°
• Cell volume: 1102.42 ± 0.03 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No