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Information card for entry 4500892
Preview
| Coordinates | 4500892.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | Cd H8 Na2 O12 S2 |
|---|---|
| Calculated formula | Cd H8 Na2 O12 S2 |
| SMILES | O(S(=O)(=O)[O-])[Cd]([OH2])(OS(=O)(=O)[O-])([OH2])([OH2])[OH2].[Na+].[Na+] |
| Title of publication | Manipulation of the Hydration Levels in Minerals of Sodium Cadmium Bisulfate toward the Design of Functional Materials |
| Authors of publication | Saha, Dipankar; Madras, Giridhar; Guru Row, Tayur N. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 7 |
| Pages of publication | 3213 |
| a | 5.5314 ± 0.0002 Å |
| b | 8.4624 ± 0.0003 Å |
| c | 11.3048 ± 0.0004 Å |
| α | 90° |
| β | 99.411 ± 0.004° |
| γ | 90° |
| Cell volume | 522.04 ± 0.03 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.021 |
| Residual factor for significantly intense reflections | 0.018 |
| Weighted residual factors for significantly intense reflections | 0.043 |
| Weighted residual factors for all reflections included in the refinement | 0.0444 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4500892.cif |
| 179539 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/08. |
4500892.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
4500892.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500892.cif |
| 34674 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500891, 4500892, 4500893 via cif-deposit CGI script. |
4500892.cif |
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