Information card for entry 7039085

Structure parameters

• Formula: C31 H41 Cr N3 O4 P2
• Calculated formula: C31 H41 Cr N3 O4 P2
• SMILES: C1(CCCCC1)N(C)[P@@]1(c2ccccc2)[Cr](C#[O])(C#[O])(C#[O])(C#[O])[P@@](c2ccccc2)(N1C)N(C)C1CCCCC1.C1(CCCCC1)N(C)[P@]1(c2ccccc2)[Cr](C#[O])(C#[O])(C#[O])(C#[O])[P@](c2ccccc2)(N1C)N(C)C1CCCCC1
• Title of publication: Ligands with an NPNPN-framework and their application in chromium catalysed ethene tri-/tetramerization.
• Authors of publication: Peulecke, N.; Müller, B H; Spannenberg, A.; Höhne, M; Rosenthal, U.; Wöhl, A; Müller, W; Alqahtani, A.; Al Hazmi, M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8869 - 8874
• a: 10.8808 ± 0.0003 Å
• b: 16.6923 ± 0.0004 Å
• c: 17.5806 ± 0.0004 Å
• α: 90°
• β: 98.4501 ± 0.0007°
• γ: 90°
• Cell volume: 3158.42 ± 0.14 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: 0.0427
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No