Information card for entry 4072329

Structure parameters

• Formula: C40 H90 Al2 Cr N4 P2
• Calculated formula: C40 H90 Al2 Cr N4 P2
• SMILES: C(C)(C)(C)N([P]12CC(C)C)[Al](CC(C)C)(CC(C)C)[N]2(C(C)(C)C)[Cr]21[N]1(C(C)(C)C)[P]2(CC(C)C)N(C(C)(C)C)[Al]1(CC(C)C)CC(C)C
• Title of publication: Isolation of a Chromium Hydride Single-Component Ethylene Polymerization Catalyst
• Authors of publication: Albahily, Khalid; Al-Baldawi, Danya; Gambarotta, Sandro; Koç, Ece; Duchateau, Robbert
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5943
• a: 12.604 ± 0.003 Å
• b: 13.74 ± 0.003 Å
• c: 14.445 ± 0.004 Å
• α: 90°
• β: 97.494 ± 0.004°
• γ: 90°
• Cell volume: 2480.2 ± 1.1 ų
• Cell temperature: 202 ± 2 K
• Ambient diffraction temperature: 202 ± 2 K
• Number of distinct elements: 6
• 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: 0.1052
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No