Information card for entry 4317466

Structure parameters

• Common name: Co(dmgH)2(py)(CH=CHCl)
• Formula: C15 H21 Cl Co N5 O4
• Calculated formula: C15 H21 Cl 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: 15.874 ± 0.002 Å
• b: 17.136 ± 0.003 Å
• c: 17.314 ± 0.003 Å
• α: 60.419 ± 0.002°
• β: 87.617 ± 0.003°
• γ: 64.356 ± 0.002°
• Cell volume: 3602.4 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No