Information card for entry 7039089

Structure parameters

• Formula: C27 H29 N3 O2 P2
• Calculated formula: C27 H29 N3 O2 P2
• SMILES: c1(c(cccc1)OC)NP(c1ccccc1)N(C)P(c1ccccc1)Nc1c(cccc1)OC
• 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: 14.6955 ± 0.0006 Å
• b: 11.8223 ± 0.0005 Å
• c: 14.3639 ± 0.0005 Å
• α: 90°
• β: 94.7107 ± 0.0007°
• γ: 90°
• Cell volume: 2487.08 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No