Information card for entry 4066332

Structure parameters

• Formula: C32 H34 Cl3 Cr N2 P2
• Calculated formula: C32 H34 Cl3 Cr N2 P2
• SMILES: [Cr]1(Cl)(Cl)(Cl)([P]([C@H]([C@H]([P]1(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)c1ccccc1)[N]#CC.N#CC
• 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: 28.347 ± 0.009 Å
• b: 8.071 ± 0.003 Å
• c: 16.468 ± 0.005 Å
• α: 90°
• β: 122.164 ± 0.006°
• γ: 90°
• Cell volume: 3189.5 ± 1.8 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No