Information card for entry 7053808

Structure parameters

• Formula: C68 H82 Cl16 Cr2 N4 P4
• Calculated formula: C68 H82 Cl16 Cr2 N4 P4
• SMILES: C12P(c3ccccc3)(c3ccccc3)=[N](C(C)C)[Cr]32([N](=P1(c1ccccc1)c1ccccc1)C(C)C)(Cl)[Cl][Cr]12(C(P(c4ccccc4)(c4ccccc4)=[N]1C(C)C)P(=[N]2C(C)C)(c1ccccc1)c1ccccc1)(Cl)[Cl]3.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 12.779 ± 0.001 Å
• b: 12.956 ± 0.001 Å
• c: 13.7 ± 0.001 Å
• α: 77.252 ± 0.001°
• β: 69.776 ± 0.001°
• γ: 69.642 ± 0.001°
• Cell volume: 1982.4 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No