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Information card for entry 2103703
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Coordinates | 2103703.cif |
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Structure factors | 2103703.hkl |
Original IUCr paper | HTML |
Chemical name | [(R)-1-cyanoethyl](pyridine)bis(dimethylglyoximato)cobalt(III) irradiated |
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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 Å3 |
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 |
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