Information card for entry 4066251

Structure parameters

• Formula: C31 H39 Cr N2 P2
• Calculated formula: C31 H39 Cr N2 P2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Cr]12345(CC)N(C(C)C)P(c2ccccc2)N(C(C)C)[P]1(c1ccccc1)c1ccccc1
• 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: 9.5211 ± 0.0001 Å
• b: 16.3606 ± 0.0003 Å
• c: 37.1799 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5791.55 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0386
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No