Information card for entry 4081950

Structure parameters

• Formula: C37 H41 Cl3 Cr N3 O2 P2
• Calculated formula: C37 H41 Cl3 Cr N3 O2 P2
• SMILES: [Cr]12(Cl)(Cl)(Cl)[n]3c(N[P]1(c1ccccc1)c1ccccc1)cccc3N[P]2(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1
• Title of publication: Synthesis, Structures, and Ethylene Oligomerization Activity of Bis(phosphanylamine)pyridine Chromium/Aluminate Complexes
• Authors of publication: Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 7107
• a: 10.1613 ± 0.0006 Å
• b: 10.1843 ± 0.0005 Å
• c: 18.5264 ± 0.0011 Å
• α: 89.005 ± 0.004°
• β: 87.369 ± 0.003°
• γ: 79.343 ± 0.003°
• Cell volume: 1882.09 ± 0.18 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: 0.1057
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No