Information card for entry 1567085

Structure parameters

• Formula: C32 H72 Cr2 Li4 O4
• Calculated formula: C32 H72 Cr2 Li4 O4
• Title of publication: Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation
• Authors of publication: Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 14
• Pages of publication: 4544 - 4551
• a: 9.9307 ± 0.0003 Å
• b: 17.6625 ± 0.0006 Å
• c: 22.0161 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3861.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No