Information card for entry 4082936

Structure parameters

• Formula: C47.45 H46.8 Al Cl3 Cr N3 P3
• Calculated formula: C47.45 H46.8 Al Cl3 Cr N3 P3
• Title of publication: Reactivity with Alkylaluminum of a Chromium Complex of a Pyridine-Containing PNP Ligand: Redox N‒P Bond Cleavage
• Authors of publication: Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1602
• a: 16.004 ± 0.004 Å
• b: 16.615 ± 0.004 Å
• c: 19.488 ± 0.005 Å
• α: 90°
• β: 93.209 ± 0.009°
• γ: 90°
• Cell volume: 5174 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No