Information card for entry 7037946

Structure parameters

• Formula: C27 H31 Cr N O4 P2
• Calculated formula: C27 H31 Cr N O4 P2
• SMILES: [Cr]1([P](N(C)[P]21C1CCCC2CCC1)(c1c(cccc1)C)c1ccccc1C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Aminophobanes: hydrolytic stability, tautomerism and application in Cr-catalysed ethene oligomerisation.
• Authors of publication: Haddow, Mairi F.; Jaltai, Judit; Hanton, Martin; Pringle, Paul G.; Rush, Laura E.; Sparkes, Hazel A.; Woodall, Christopher H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2294 - 2307
• a: 10.0549 ± 0.0001 Å
• b: 10.8831 ± 0.0002 Å
• c: 23.6863 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2591.96 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No