Information card for entry 4081953

Structure parameters

• Formula: C48.5 H64 Al2 Cl3 Cr N3 P2
• Calculated formula: C48.5 H64 Al2 Cl3 Cr N3 P2
• SMILES: [Cr]123([Cl][Al]([Cl]1)(CC(C)C)CC(C)C)[n]1c(N([Al](Cl)(CC(C)C)CC(C)C)[P]2(c2ccccc2)c2ccccc2)cccc1N[P]3(c1ccccc1)c1ccccc1.c1(ccccc1)C
• 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: 10.4726 ± 0.0002 Å
• b: 35.8132 ± 0.0007 Å
• c: 27.6642 ± 0.0006 Å
• α: 90°
• β: 96.015 ± 0.001°
• γ: 90°
• Cell volume: 10318.5 ± 0.4 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: 0.1171
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No