Information card for entry 4076169

Structure parameters

• Formula: C39 H31 Cl Cr N3
• Calculated formula: C39 H31 Cl Cr N3
• SMILES: [Cr]123456(Cl)n7cccc7C([C]73=[CH]4[CH]5=[C]6([N]17C)C(c1n2ccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Switchable Chromium(II) Ethylene Oligomerization/Polymerization Catalyst
• Authors of publication: Crewdson, Patrick; Gambarotta, Sandro; Djoman, Marie-Charlotte; Korobkov, Ilia; Duchateau, Robbert
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 22
• Pages of publication: 5214
• a: 8.594 ± 0.01 Å
• b: 15.904 ± 0.019 Å
• c: 23.14 ± 0.03 Å
• α: 90°
• β: 99.04 ± 0.02°
• γ: 90°
• Cell volume: 3123 ± 7 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• 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: 0.1352
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No