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Information card for entry 4340163
Preview
Coordinates | 4340163.cif |
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Original paper (by DOI) | HTML |
Formula | C8 H21 N O3 Se |
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Calculated formula | C8 H21 N O3 Se |
SMILES | [Se](=O)([O-])O.[N+](CC)(CC)(CC)CC |
Title of publication | Analogue reaction systems of selenate reductase. |
Authors of publication | Wang, Jun-Jieh; Tessier, Christian; Holm, R. H. |
Journal of publication | Inorganic chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 7 |
Pages of publication | 2979 - 2988 |
a | 7.926 ± 0.006 Å |
b | 8.909 ± 0.007 Å |
c | 9.146 ± 0.007 Å |
α | 80.64 ± 0.01° |
β | 65.15 ± 0.01° |
γ | 77.19 ± 0.02° |
Cell volume | 569.7 ± 0.8 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0437 |
Residual factor for significantly intense reflections | 0.0376 |
Weighted residual factors for significantly intense reflections | 0.0945 |
Weighted residual factors for all reflections included in the refinement | 0.0978 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4340163.cif |
118654 | 2014-06-30 | cif/ Adding structures of 4340156, 4340157, 4340158, 4340159, 4340160, 4340161, 4340162, 4340163 via cif-deposit CGI script. |
4340163.cif |
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Users of the data should acknowledge the original authors of the
structural data.