Information card for entry 4082935

Structure parameters

• Formula: C48.75 H51 Al Cl2 Cr N3 P3
• Calculated formula: C48.75 H51 Al Cl2 Cr N3 P3
• SMILES: [Cr]12(Cl)([P](Nc3[n]2c(N([Al](Cl)(CC)CC)[P]1(c1ccccc1)c1ccccc1)ccc3)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CC.c1(ccccc1)C
• 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: 12.634 ± 0.003 Å
• b: 13.792 ± 0.003 Å
• c: 15.021 ± 0.003 Å
• α: 81.438 ± 0.008°
• β: 68.115 ± 0.008°
• γ: 83.586 ± 0.008°
• Cell volume: 2397.2 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No