Information card for entry 4074609

Structure parameters

• Formula: C44 H43.5 Cl Cr N O4 P2
• Calculated formula: C44 H43.5 Cl1.5 Cr N O4 P2
• Title of publication: Ethylene Trimerization Catalysts Based on Chromium Complexes with a Nitrogen-Bridged Diphosphine Ligand Havingortho-Methoxyaryl orortho-Thiomethoxy Substituents: Well-Defined Catalyst Precursors and Investigations of the Mechanism
• Authors of publication: Schofer, Susan J.; Day, Michael W.; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 11
• Pages of publication: 2743
• a: 10.5083 ± 0.0006 Å
• b: 11.2424 ± 0.0007 Å
• c: 18.3603 ± 0.001 Å
• α: 93.964 ± 0.001°
• β: 92.994 ± 0.001°
• γ: 115.085 ± 0.001°
• Cell volume: 1951.8 ± 0.2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.0836
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.472
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No