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Information card for entry 4511699
Preview
| Coordinates | 4511699.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cd O5 S |
|---|---|
| Calculated formula | Cd O5 S |
| SMILES | [Cd+2].O.S(=O)(=O)([O-])[O-] |
| Title of publication | Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks |
| Authors of publication | Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 4124 |
| a | 7.6262 ± 0.0005 Å |
| b | 7.4531 ± 0.0003 Å |
| c | 7.6295 ± 0.0005 Å |
| α | 90° |
| β | 115.423 ± 0.008° |
| γ | 90° |
| Cell volume | 391.66 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.04 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179663 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/16. |
4511699.cif |
| 122834 | 2014-09-06 | cif/ Updating files of 4511696, 4511697, 4511698, 4511699, 4511700, 4511701, 4511702, 4511703 Original log message: Adding full bibliography for 4511696--4511703.cif. |
4511699.cif |
| 120820 | 2014-07-27 | cif/ Adding structures of 4511696, 4511697, 4511698, 4511699, 4511700, 4511701, 4511702, 4511703 via cif-deposit CGI script. |
4511699.cif |
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Users of the data should acknowledge the original authors of the
structural data.