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Information card for entry 7036823
Preview
| Coordinates | 7036823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | guanidinium cadmium formate |
|---|---|
| Formula | C4 H9 Cd N3 O6 |
| Calculated formula | C4 H9 Cd N3 O6 |
| Title of publication | Compositional dependence of anomalous thermal expansion in perovskite-like ABX3 formates. |
| Authors of publication | Collings, Ines E.; Hill, Joshua A.; Cairns, Andrew B.; Cooper, Richard I.; Thompson, Amber L.; Parker, Julia E.; Tang, Chiu C.; Goodwin, Andrew L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 10 |
| Pages of publication | 4169 - 4178 |
| a | 9.2335 ± 0.0006 Å |
| b | 9.2335 ± 0.0006 Å |
| c | 19.2916 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1424.4 ± 0.15 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0375 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for all reflections | 0.0836 |
| Weighted residual factors for significantly intense reflections | 0.0726 |
| Weighted residual factors for all reflections included in the refinement | 0.0836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177799 (current) | 2016-03-05 | cif/ Updating files of 7036823, 7036824, 7036825, 7036826 Original log message: Adding full bibliography for 7036823--7036826.cif. |
7036823.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7036823.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036823.cif |
| 161113 | 2015-10-09 | cif/ Adding structures of 7036823, 7036824, 7036825, 7036826 via cif-deposit CGI script. |
7036823.cif |
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Users of the data should acknowledge the original authors of the
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