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Information card for entry 7212673
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Coordinates | 7212673.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | cyanocobalamin hydrate |
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Chemical name | 5,6-Dimethylbenzimidazolyl cyanocobamide hydrate |
Formula | C63 H132 Co N14 O36 P |
Calculated formula | C63 H88 Co N14 O36 P |
Title of publication | Pressure-induced structural changes in wet vitamin B12 |
Authors of publication | Fabbiani, Francesca P. A.; Buth, Gernot; Dittrich, Birger; Sowa, Heidrun |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 9 |
Pages of publication | 2541 |
a | 15.9455 ± 0.0004 Å |
b | 21.0511 ± 0.0005 Å |
c | 23.8739 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8013.8 ± 0.4 Å3 |
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 | 0.0968 |
Residual factor for significantly intense reflections | 0.0665 |
Weighted residual factors for significantly intense reflections | 0.1837 |
Weighted residual factors for all reflections included in the refinement | 0.2165 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.72 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7212673.html
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