Information card for entry 7024247

Structure parameters

• Formula: C31 H27 Cr N O6 P2
• Calculated formula: C31 H27 Cr N O6 P2
• SMILES: [Cr]1([P](N([P]1(c1ccccc1)c1ccccc1)C)(c1ccccc1OC)c1ccccc1OC)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Ligand effects in chromium diphosphine catalysed olefin co-trimerisation and diene trimerisation.
• Authors of publication: Bowen, Lucy E.; Charernsuk, Manutsavin; Hey, Thomas W.; McMullin, Claire L.; Orpen, A. Guy; Wass, Duncan F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 560 - 567
• a: 14.712 ± 0.0002 Å
• b: 13.3565 ± 0.0002 Å
• c: 20.7321 ± 0.0003 Å
• α: 90°
• β: 134.635 ± 0.001°
• γ: 90°
• Cell volume: 2898.96 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0611
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No