Information card for entry 2103705

Structure parameters

• Chemical name: [(R,S)-1-cyanoethyl](piperidine)bis(dimethylglyoximato)cobalt(III) irradiated
• Formula: C16 H29 Co N6 O4
• Calculated formula: C16 H29 Co 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: 11.4039 ± 0.0002 Å
• b: 11.7354 ± 0.0002 Å
• c: 30.7446 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4114.53 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes