Information card for entry 4318791

Structure parameters

• Formula: C16 H22 Cl4 Co N5 O4
• Calculated formula: C16 H22 Cl4 Co N5 O4
• Title of publication: Dichloroacetylene Is Not the Precursor to Dichlorinated Vinylcobaloxime and Vinylcobalamin in Cobalt Catalyzed Dechlorination of Perchloro- and Trichloroethylene
• 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: 5844 - 5848
• a: 10.3145 ± 0.0019 Å
• b: 15.222 ± 0.003 Å
• c: 14.384 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2258.4 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No