Information card for entry 4333358

Structure parameters

• Formula: C21.2 H22.8 Cl0.8 Cr0.8 N3.2
• Calculated formula: C21.2 H22.8 Cl0.8 Cr0.8 N3.2
• Title of publication: (Tetramethyltetraazaannulene)chromium Chloride: A Highly Active Catalyst for the Alternating Copolymerization of Epoxides and Carbon Dioxide
• Authors of publication: Darensbourg, Donald J.; Fitch, Shawn B.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 5474 - 5476
• a: 12.6158 ± 0.001 Å
• b: 13.5543 ± 0.0011 Å
• c: 15.9732 ± 0.0012 Å
• α: 84.293 ± 0.001°
• β: 73.259 ± 0.001°
• γ: 64.411 ± 0.001°
• Cell volume: 2358.1 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No