Information card for entry 4066250

Structure parameters

• Formula: C48 H58 Li2 N4 P4
• Calculated formula: C48 H58 Li2 N4 P4
• SMILES: C(C)(C)[N]12P(c3ccccc3)N(C(C)C)[P](c3ccccc3)(c3ccccc3)[Li]1[N]1(C(C)C)P(c3ccccc3)N(C(C)C)[P](c3ccccc3)(c3ccccc3)[Li]21
• Title of publication: Metalation and Transmetalation Studies on Ph2PN(iPr)P(Ph)N(iPr)H for Selective Ethene Trimerization to 1-Hexene⊥
• Authors of publication: Peitz, Stephan; Peulecke, Normen; Aluri, Bhaskar R.; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe; Al-Hazmi, Mohammed H.; Mosa, Fuad M.; Wöhl, Anina; Müller, Wolfgang
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5263
• a: 8.3004 ± 0.0004 Å
• b: 10.9215 ± 0.0005 Å
• c: 13.8691 ± 0.0006 Å
• α: 68.249 ± 0.003°
• β: 77.522 ± 0.004°
• γ: 74.391 ± 0.003°
• Cell volume: 1115.14 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No