Information card for entry 4066252

Structure parameters

• Formula: C14 H29 Cl2 Cr O3
• Calculated formula: C14 H29 Cl2 Cr O3
• SMILES: C1CCC[O]1[Cr](CC)(Cl)(Cl)([O]1CCCC1)[O]1CCCC1
• 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: 8.9517 ± 0.0003 Å
• b: 13.2013 ± 0.0003 Å
• c: 14.913 ± 0.0005 Å
• α: 90°
• β: 91.22 ± 0.003°
• γ: 90°
• Cell volume: 1761.93 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No