Information card for entry 7706823

Structure parameters

• Formula: C23 H20 N P
• Calculated formula: C23 H20 N P
• SMILES: P(CNc1cccc2ccccc12)(c1ccccc1)c1ccccc1
• 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: 17.5673 ± 0.0008 Å
• b: 5.513 ± 0.0003 Å
• c: 18.5133 ± 0.0009 Å
• α: 90°
• β: 93.7639 ± 0.0008°
• γ: 90°
• Cell volume: 1789.12 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No