Information card for entry 4100297

Structure parameters

• Formula: C58 H59 Cl0.5 Cr0.5 N5 O3 P2
• Calculated formula: C58 H59 Cl0.5 Cr0.5 N5 O3 P2
• SMILES: [Cr]123(Oc4c(cc(cc4C=[N]2CC[N]3=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(N=N#N)N=N#N.Cl(=O)(=O)(=O)[O-].[P+](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Role of the Cocatalyst in the Copolymerization of CO2 and Cyclohexene Oxide Utilizing Chromium Salen Complexes
• Authors of publication: Donald J. Darensbourg; Ryan M. Mackiewicz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 14026 - 14038
• a: 27.264 ± 0.004 Å
• b: 21.61 ± 0.003 Å
• c: 17.695 ± 0.003 Å
• α: 90°
• β: 90.546 ± 0.003°
• γ: 90°
• Cell volume: 10425 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No