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Information card for entry 1507986
Preview
| Coordinates | 1507986.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H119 P Si4 W Y4 |
|---|---|
| Calculated formula | C61 H119 P Si4 W Y4 |
| SMILES | [Y]1234567([H]8[Y]9%10%11%12%13%14([H][YH]%15%16%17%18%19([H]1)([H][Y]1%20%21%22([H]2)([H]%10)([H]39%15)[c]2([Si](C)(C)C)[c]1([c]%20([c]%21([c]%222C)C)C)C)[c]1([c]%19([c]%16([c]%17([c]%181C)C)C)C)[Si](C)(C)C)([H][WH2]12839([P](C)(C)C)[c]%10([c]1([c]2([c]3([c]9%10C)C)C)C)C)[c]1([Si](C)(C)C)[c]%12([c]%13([c]%14([c]%111C)C)C)C)[c]1([Si](C)(C)C)[c]4([c]5([c]6([c]71C)C)C)C |
| 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 | 14.0625 ± 0.001 Å |
| b | 23.1646 ± 0.0017 Å |
| c | 24.1202 ± 0.0018 Å |
| α | 90° |
| β | 92.501 ± 0.001° |
| γ | 90° |
| Cell volume | 7849.7 ± 1 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0738 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.147 |
| Weighted residual factors for all reflections included in the refinement | 0.1527 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1507986.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507986.cif |
| 62532 | 2012-07-09 | cif/ Adding structures of 1507986 via cif-deposit CGI script. |
1507986.cif |
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Users of the data should acknowledge the original authors of the
structural data.