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Information card for entry 4001959
Preview
| Coordinates | 4001959.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B4 Ca53 H23 In13 |
|---|---|
| Calculated formula | B1.64 Ca52.68 H25.36 In13 |
| Title of publication | Ca54In13B4–xH23+x: A Complex Metal Subhydride Featuring Ionic and Metallic Regions |
| Authors of publication | Blankenship, Trevor V.; Chen, Banghao; Latturner, Susan E. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2014 |
| Journal volume | 26 |
| Journal issue | 10 |
| Pages of publication | 3202 |
| a | 16.3608 ± 0.0006 Å |
| b | 16.3608 ± 0.0006 Å |
| c | 16.3608 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4379.4 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 204 |
| Hermann-Mauguin space group symbol | I m -3 |
| Hall space group symbol | -I 2 2 3 |
| Residual factor for all reflections | 0.0171 |
| Residual factor for significantly intense reflections | 0.0165 |
| Weighted residual factors for significantly intense reflections | 0.0395 |
| Weighted residual factors for all reflections included in the refinement | 0.0397 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281946 (current) | 2023-03-20 | Corrected the changelog entry date. |
4001959.cif |
| 281945 | 2023-03-20 | Updated the summary chemical formula and the atom site type symbols to represent hydride anions as 'H-' instead of 'He'. This allows to correctly recognise them as hydrogen atoms instead of helium atoms. |
4001959.cif |
| 178377 | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001959.cif |
| 115665 | 2014-06-05 | cif/ Updating files of 4001958, 4001959 Original log message: Adding full bibliography for 4001958--4001959.cif. |
4001959.cif |
| 113571 | 2014-05-13 | cif/ Adding structures of 4001958, 4001959 via cif-deposit CGI script. |
4001959.cif |
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