Information card for entry 1518406

Structure parameters

• Formula: C28 H36 N2 P2
• Calculated formula: C28 H36 N2 P2
• SMILES: CN(C1CCCCC1)P(c1ccccc1)N(C(C)C)P(c1ccccc1)c1ccccc1
• Title of publication: Comparative study of new chromium-based catalysts for the selective tri- and tetramerization of ethylene
• Authors of publication: Härzschel, Stefan; Kühn, Fritz E.; Wöhl, Anina; Müller, Wolfgang; Al-Hazmi, Mohammed H.; Alqahtani, Abdullah M.; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1678
• a: 11.4796 ± 0.0004 Å
• b: 15.5902 ± 0.0006 Å
• c: 15.8639 ± 0.0006 Å
• α: 98.551 ± 0.002°
• β: 106.145 ± 0.002°
• γ: 104.953 ± 0.002°
• Cell volume: 2559.42 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No