Information card for entry 7706825

Structure parameters

• Formula: C38 H27 Cr N O4 P2
• Calculated formula: C38 H27 Cr N O4 P2
• Title of publication: Ethylene oligomerisation chromium catalysts with unsymmetrical PCNP ligands.
• Authors of publication: Blann, Kevin; Bollmann, Annette; Brown, Gavin M.; Dixon, John T.; Elsegood, Mark R. J.; Raw, Christopher R.; Smith, Martin B.; Tenza, Kenny; Willemse, J. Alexander; Zweni, Pumza
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 4345 - 4354
• a: 12.1106 ± 0.0004 Å
• b: 19.6906 ± 0.0006 Å
• c: 13.9703 ± 0.0004 Å
• α: 90°
• β: 101.038 ± 0.0004°
• γ: 90°
• Cell volume: 3269.8 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No