Information card for entry 4075780

Structure parameters

• Formula: C35 H44 Cl2 Cr N5 O5
• Calculated formula: C35 H44 Cl2 Cr N5 O5
• Title of publication: Pressure Dependence of the Carbon Dioxide/Cyclohexene Oxide Coupling Reaction Catalyzed by Chromium Salen Complexes. Optimization of the Comonomer-Alternating Enchainment Pathway
• Authors of publication: Darensbourg, Donald J.; Mackiewicz, Ryan M.; Billodeaux, Damon R.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 1
• Pages of publication: 144
• a: 12.66 ± 0.003 Å
• b: 9.193 ± 0.002 Å
• c: 30.63 ± 0.008 Å
• α: 90°
• β: 97.081 ± 0.005°
• γ: 90°
• Cell volume: 3537.6 ± 1.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.213
• Residual factor for significantly intense reflections: 0.1028
• Weighted residual factors for significantly intense reflections: 0.2231
• Weighted residual factors for all reflections included in the refinement: 0.2776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No