Information card for entry 4115368

Structure parameters

• Chemical name: [(R)-1,2-bis(ethoxycarbonyl)ethyl-d1a](pyridine-d5)- bis(dimethylglyoxymato-d6)cobalt(III)
• Formula: C21 H14 Co D18 N5 O8
• Calculated formula: C20.984 H13.974 Co D18.004 N5 O7.992
• Title of publication: Direct Observation of Deuterium Migration in Crystalline-State Reaction by Single Crystal Neutron Diffraction IV. "Hula-Twist" Rotation of a Long Alkyl Radical Produced by Photoirradiation
• Authors of publication: Takashi Ohhara; Susumu Ikeda; Hiroyuki Imura; Hidehiro Uekusa; Yuji Ohashi; Ichiro Tanaka; Nobuo Niimura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 14736 - 14740
• a: 9.133 ± 0.001 Å
• b: 16.813 ± 0.001 Å
• c: 16.911 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2596.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1319
• Residual factor for significantly intense reflections: 0.1256
• Weighted residual factors for significantly intense reflections: 0.3065
• Weighted residual factors for all reflections included in the refinement: 0.3098
• Goodness-of-fit parameter for all reflections included in the refinement: 2.754
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.23 Å
• Diffraction radiation type: Neutron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No