Information card for entry 4066331

Structure parameters

• Formula: C56 H56 Cl6 Cr2 P4
• Calculated formula: C56 H56 Cl6 Cr2 P4
• SMILES: c1([P]2([Cr]3(Cl)(Cl)([P]([C@@H]([C@H]2C)C)(c2ccccc2)c2ccccc2)[Cl][Cr]2([P]([C@@H]([C@@H](C)[P]2(c2ccccc2)c2ccccc2)C)(c2ccccc2)c2ccccc2)(Cl)([Cl]3)Cl)c2ccccc2)ccccc1
• Title of publication: Bimetallic Ethylene Tetramerization Catalysts Derived from Chiral DPPDME Ligands: Syntheses, Structural Characterizations, and Catalytic Performance of [(DPPDME)CrCl3]2(DPPDME =S,S- andR,R-chiraphos andmeso-achiraphos)
• Authors of publication: Kim, Sung-Kwan; Kim, Tae-Jin; Chung, Jae-Ho; Hahn, Tak-Kyu; Chae, Sung-Soek; Lee, Ho-Seong; Cheong, Minserk; Kang, Sang Ook
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 5805
• a: 11.0901 ± 0.0006 Å
• b: 11.0901 ± 0.0006 Å
• c: 87.205 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9288.4 ± 1.2 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.1477
• Residual factor for significantly intense reflections: 0.1149
• Weighted residual factors for significantly intense reflections: 0.2732
• Weighted residual factors for all reflections included in the refinement: 0.2947
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No