Information card for entry 4084264

Structure parameters

• Formula: C22 H38 Cl4 Cr2 N4 Zn2
• Calculated formula: C22 H38 Cl4 Cr2 N4 Zn2
• SMILES: c1cccc2C[N]3([Cr]4(CC)([n]12)[Cl][Zn]([N]1(Cc2cccc[n]2[Cr]21(CC)[Cl][Zn]3(CC)[Cl]2)C)(CC)[Cl]4)C
• Title of publication: Chromium-Catalyzed CO2‒Epoxide Copolymerization
• Authors of publication: Gurnham, Joanna; Gambarotta, Sandro; Korobkov, Ilia; Jasinska-Walc, Lidia; Duchateau, Robbert
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 17
• Pages of publication: 4401
• a: 11.0631 ± 0.0004 Å
• b: 11.8885 ± 0.0005 Å
• c: 11.2893 ± 0.0005 Å
• α: 90°
• β: 93.596 ± 0.002°
• γ: 90°
• Cell volume: 1481.89 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0173
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No