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Information card for entry 4311689
Preview
| Coordinates | 4311689.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H14 Bi N O2 S2 |
|---|---|
| Calculated formula | C7 H14 Bi N O2 S2 |
| SMILES | [Bi]12(SC(C(=O)O1)C)SCC[N]2(C)C |
| Title of publication | Identification, Isolation, and Characterization of Cysteinate and Thiolactate Complexes of Bismuth |
| Authors of publication | Glen G. Briand; Neil Burford; Melanie D. Eelman; Nadia Aumeerally; Luke Chen; T. Stanley Cameron; Katherine N. Robertson |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 6495 - 6500 |
| a | 8.847 ± 0.006 Å |
| b | 7.434 ± 0.005 Å |
| c | 9.51 ± 0.006 Å |
| α | 90° |
| β | 111.89 ± 0.05° |
| γ | 90° |
| Cell volume | 580.4 ± 0.7 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 | 0.0497 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1258 |
| Weighted residual factors for all reflections included in the refinement | 0.1272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
4311689.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
4311689.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311689.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311689.cif |
| 3188 | 2010-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4311689 via cif-deposit CGI script. |
4311689.cif |
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Users of the data should acknowledge the original authors of the
structural data.