Information card for entry 4066330

Structure parameters

• Formula: C56 H56 Cl6 Cr2 P4
• Calculated formula: C56 H56 Cl6 Cr2 P4
• SMILES: [Cr]12(Cl)(Cl)([Cl][Cr]3([Cl]1)(Cl)(Cl)[P]([C@H]([C@@H]([P]3(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)c1ccccc1)[P]([C@H]([C@@H]([P]2(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)c1ccccc1
• 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: 11.171 ± 0.004 Å
• b: 19.068 ± 0.007 Å
• c: 30.599 ± 0.011 Å
• α: 90°
• β: 99.86 ± 0.007°
• γ: 90°
• Cell volume: 6422 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1235
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No