Information card for entry 7053810

Structure parameters

• Formula: C47 H51 Cl2 Cr N2 O4 P2
• Calculated formula: C47 H51 Cl2 Cr N2 O4 P2
• SMILES: Cl[Cr]123(Cl)[O](c4c([N]2=P(C=P(N3c2c([O]1C)cccc2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)cccc4)C.O1CCCC1.O1CCCC1
• Title of publication: Chromium (iii)-bis(iminophosphoranyl)methanido complexes: synthesis, X-ray crystal structures and catalytic ethylene oligomerization
• Authors of publication: Klemps, Christian; Buchard, Antoine; Houdard, Romaric; Auffrant, Audrey; Mézailles, Nicolas; Le Goff, Xavier Frédéric; Ricard, Louis; Saussine, Lucien; Magna, Lionel; Le Floch, Pascal
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 1748
• a: 9.412 ± 0.001 Å
• b: 13.128 ± 0.001 Å
• c: 18.731 ± 0.001 Å
• α: 72.651 ± 0.001°
• β: 83.444 ± 0.001°
• γ: 80.124 ± 0.001°
• Cell volume: 2171.5 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.2047
• Weighted residual factors for all reflections included in the refinement: 0.2261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No