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Information card for entry 1507990
Preview
| Coordinates | 1507990.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H124 Si4 W Y4 |
|---|---|
| Calculated formula | C64 H124 Si4 W Y4 |
| SMILES | [W]12345678([H][Y]9%10%11%12%13%14%15([H][Y]%16%17%18%19%20%21%22([H]9[Y]9%23%24%25%26%27([H][Y]%28%29%30%31([c]%32([c]%28([c]%29([c]%30([c]%31%32C)C)C)C)[Si](C)(C)C)([H]1%10%16%23)([H]%17%24)([H]%18)([H]2)[H]3)([c]2([c]9([c]%25([c]%26([c]%272C)C)C)C)[Si](C)(C)C)[H]%11)[c]1([c]%19([c]%20([c]%21([c]%221C)C)C)C)[Si](C)(C)C)([c]1([c]%14([c]%15([c]%12([c]%131C)C)C)C)[Si](C)(C)C)[H]8)[c]1([c]7([c]6([c]5([c]41C)C)C)C)C.CCCCCC |
| Title of publication | Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals. |
| Authors of publication | Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin |
| Journal of publication | Nature chemistry |
| Year of publication | 2011 |
| Journal volume | 3 |
| Journal issue | 10 |
| Pages of publication | 814 - 820 |
| a | 13.2794 ± 0.0006 Å |
| b | 30.4306 ± 0.0014 Å |
| c | 18.1306 ± 0.0008 Å |
| α | 90° |
| β | 91.851 ± 0.001° |
| γ | 90° |
| Cell volume | 7322.8 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.2235 |
| Residual factor for significantly intense reflections | 0.1894 |
| Weighted residual factors for significantly intense reflections | 0.4257 |
| Weighted residual factors for all reflections included in the refinement | 0.4464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation probe | neutron |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507990.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507990.cif |
| 62536 | 2012-07-09 | cif/ Adding structures of 1507990 via cif-deposit CGI script. |
1507990.cif |
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Users of the data should acknowledge the original authors of the
structural data.