Information card for entry 4065097

Structure parameters

• Formula: C87 H126 Cr2 N8 O1.75 P4
• Calculated formula: C87 H126 Cr2 N8 O1.75 P4
• Title of publication: New Self-Activating Organochromium Catalyst Precursor for Selective Ethylene Trimerization.
• Authors of publication: Albahily, Khalid; Fomitcheva, Valeria; Shaikh, Yacoob; Sebastiao, Elena; Gorelsky, Serge I.; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 4201
• a: 13.842 ± 0.001 Å
• b: 17.7755 ± 0.0013 Å
• c: 19.1806 ± 0.0014 Å
• α: 98.165 ± 0.001°
• β: 105.342 ± 0.001°
• γ: 101.923 ± 0.001°
• Cell volume: 4355.2 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No