Information card for entry 4317468

Structure parameters

• Common name: Co(dmgH)2(py)(CH=CH2)
• Formula: C15 H22 Co N5 O4
• Calculated formula: C15 H22 Co N5 O4
• Title of publication: Synthesis and Characterization of Chlorinated Alkenylcobaloximes To Probe the Mechanism of Vitamin B12-Catalyzed Dechlorination of Priority Pollutants
• Authors of publication: Kevin M. McCauley; Scott R. Wilson; Wilfred A. van der Donk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 393 - 404
• a: 8.8598 ± 0.0012 Å
• b: 14.3906 ± 0.0018 Å
• c: 14.0123 ± 0.0018 Å
• α: 90°
• β: 95.117 ± 0.002°
• γ: 90°
• Cell volume: 1779.4 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0539
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No