Information card for entry 4317465

Structure parameters

• Common name: Co(dmgH)2(py)(CCl=CHCl)
• Formula: C16 H22 Cl4 Co N5 O4
• Calculated formula: C16 H22 Cl4 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: 12.0964 ± 0.0011 Å
• b: 13.3142 ± 0.0012 Å
• c: 14.9277 ± 0.0014 Å
• α: 90°
• β: 109.721 ± 0.002°
• γ: 90°
• Cell volume: 2263.2 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No