Information card for entry 4115194

Structure parameters

• Formula: C34.33 H45.67 Cl5.67 Cr N3
• Calculated formula: C34.3333 H45.6667 Cl5.66667 Cr N3
• SMILES: [Cr]12(Cl)(Cl)(Cl)[N](c3c(cccc3C(C)C)C(C)C)=C(C)c3[n]1c(ccc3)C(=[N]2c1c(cccc1C(C)C)C(C)C)C.ClCCl.ClCCl
• Title of publication: Participation of the α,α'-Diiminopyridine Ligand System in Reduction of the Metal Center during Alkylation
• Authors of publication: Hiroyasu Sugiyama; Ghazar Aharonian; Sandro Gambarotta; Glenn P. A. Yap; Peter H. M. Budzelaar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 12268 - 12274
• a: 18.124 ± 0.002 Å
• b: 16.44 ± 0.001 Å
• c: 37.861 ± 0.003 Å
• α: 90°
• β: 95.932 ± 0.002°
• γ: 90°
• Cell volume: 11220.6 ± 1.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.2434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No