Information card for entry 2103703

Structure parameters

• Chemical name: [(R)-1-cyanoethyl](pyridine)bis(dimethylglyoximato)cobalt(III) irradiated
• Formula: C16 H22 Co D N6 O4
• Calculated formula: C16 H22 Co D N6 O4
• Title of publication: Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes
• Authors of publication: Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 551 - 559
• a: 16.023 ± 0.005 Å
• b: 12.627 ± 0.002 Å
• c: 9.628 ± 0.002 Å
• α: 90°
• β: 94.23 ± 0.02°
• γ: 90°
• Cell volume: 1942.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.132
• Weighted residual factors for all reflections: 0.3278
• Weighted residual factors for significantly intense reflections: 0.3276
• Goodness-of-fit parameter for all reflections: 3.303
• Goodness-of-fit parameter for significantly intense reflections: 3.311
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.06 Å
• Diffraction radiation type: Neutron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes