Information card for entry 1567084

Structure parameters

• Formula: C24 H58 Cl10 Cr2 N10 P4
• Calculated formula: C24 H58 Cl10 Cr2 N10 P4
• 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: 11.9522 ± 0.0003 Å
• b: 13.5271 ± 0.0004 Å
• c: 14.8191 ± 0.0005 Å
• α: 90°
• β: 104.592 ± 0.003°
• γ: 90°
• Cell volume: 2318.65 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No