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Information card for entry 4500891
Preview
| Coordinates | 4500891.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cd12.01 Na11.99 O90 S18 |
|---|---|
| Calculated formula | Cd12.014 Na11.986 O90.006 S18 |
| 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 | 15.6033 ± 0.0002 Å |
| b | 15.6033 ± 0.0002 Å |
| c | 8.8392 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1863.7 ± 0.04 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 158 |
| Hermann-Mauguin space group symbol | P 3 c 1 |
| Hall space group symbol | P 3 -2"c |
| Residual factor for all reflections | 0.0231 |
| Residual factor for significantly intense reflections | 0.0213 |
| Weighted residual factors for significantly intense reflections | 0.053 |
| Weighted residual factors for all reflections included in the refinement | 0.0536 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179539 (current) | 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. |
4500891.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' |
4500891.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500891.cif |
| 34674 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500891, 4500892, 4500893 via cif-deposit CGI script. |
4500891.cif |
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