Information card for entry 7053809

Structure parameters

• Formula: C74 H94 Cl4 Cr2 N4 O2 P4
• Calculated formula: C74 H94 Cl4 Cr2 N4 O2 P4
• SMILES: C12P(c3ccccc3)(c3ccccc3)=[N](C(C)(C)C)[Cr]32([N](=P1(c1ccccc1)c1ccccc1)C(C)(C)C)([Cl][Cr]12(C(P(c4ccccc4)(c4ccccc4)=[N]1C(C)(C)C)P(=[N]2C(C)(C)C)(c1ccccc1)c1ccccc1)([Cl]3)Cl)Cl.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: 11.078 ± 0.001 Å
• b: 22.191 ± 0.001 Å
• c: 14.487 ± 0.001 Å
• α: 90°
• β: 97.136 ± 0.001°
• γ: 90°
• Cell volume: 3533.8 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.067
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No