Information card for entry 4306398

Structure parameters

• Formula: C67.5 H67 Cl3 Cr N6 O4 P
• Calculated formula: C67.561 H67.122 Cl3 Cr N6 O4 P2
• Title of publication: Mechanistic Insight into the Initiation Step of the Coupling Reaction of Oxetane or Epoxides and CO2 Catalyzed by (salen)CrX Complexes
• Authors of publication: Donald J. Darensbourg; Adriana I. Moncada
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10000 - 10008
• a: 12.447 ± 0.002 Å
• b: 15.076 ± 0.002 Å
• c: 18.509 ± 0.003 Å
• α: 70.026 ± 0.008°
• β: 82.558 ± 0.009°
• γ: 79.978 ± 0.009°
• Cell volume: 3205.3 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1747
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2131
• Weighted residual factors for all reflections included in the refinement: 0.2716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No