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Information card for entry 1507983
Preview
| Coordinates | 1507983.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H118 Ho4 Mo Si4 |
|---|---|
| Calculated formula | C65 H118 Ho4 Mo Si4 |
| SMILES | [Ho]12345678([c]9([c]2([c]3([c]4([c]59C)C)C)C)[Si](C)(C)C)[H][Ho]23459%10%11([c]%12([Si](C)(C)C)[c]2([c]3([c]4([c]5%12C)C)C)C)[H]6[Ho]23456%12([c]%13([Si](C)(C)C)[c]2([c]3([c]4([c]5%13C)C)C)C)([H]7)[H][Ho]23457([c]%13([Si](C)(C)C)[c]2([c]3([c]4([c]5%13C)C)C)C)([H]9)([H]6%11)[H][Mo]2345([H]1)([H]8)([H]7)([H]%10%12)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.Cc1ccccc1 |
| 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 | 13.2501 ± 0.0013 Å |
| b | 30.326 ± 0.003 Å |
| c | 18.0991 ± 0.0018 Å |
| α | 90° |
| β | 91.819 ± 0.002° |
| γ | 90° |
| Cell volume | 7269 ± 1.2 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 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 | 0.0651 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.0688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.875 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1507983.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507983.cif |
| 62529 | 2012-07-09 | cif/ Adding structures of 1507983 via cif-deposit CGI script. |
1507983.cif |
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Users of the data should acknowledge the original authors of the
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