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Information card for entry 4110673
Preview
| Coordinates | 4110673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H84 Lu4 O4 Si4 |
|---|---|
| Calculated formula | C48 H84 Lu4 O4 Si4 |
| SMILES | [Lu]123456([O]7[Lu]89%10%11%12([O]%13[Lu]7%20%21%22%23([O]1[Lu]%131%24%25%26([O]28)[c]2([Si](C)(C)C)[c]1([c]%24([c]%25([c]%262C)C)C)C)[c]1([Si](C)(C)C)[c]%20([c]%21([c]%22([c]%231C)C)C)C)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)[Si](C)(C)C)[c]1([Si](C)(C)C)[c]6([c]3([c]4([c]51C)C)C)C |
| Title of publication | Hydrogenation of Carbon Monoxide by Tetranuclear Rare Earth Metal Polyhydrido Complexes. Selective Formation of Ethylene and Isolation of Well-Defined Polyoxo Rare Earth Metal Clusters |
| Authors of publication | Takanori Shima; Zhaomin Hou |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| Journal volume | 128 |
| Pages of publication | 8124 - 8125 |
| a | 14.5263 ± 0.0011 Å |
| b | 14.1982 ± 0.0011 Å |
| c | 28.12 ± 0.002 Å |
| α | 90° |
| β | 95.888 ± 0.002° |
| γ | 90° |
| Cell volume | 5769.1 ± 0.7 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0833 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178877 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/06. |
4110673.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110673.cif |
| 59490 | 2012-06-12 | cif/ Adding structures of 4110673 via cif-deposit CGI script. |
4110673.cif |
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Users of the data should acknowledge the original authors of the
structural data.