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Information card for entry 4317136
Preview
| Coordinates | 4317136.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ZrOnep Hex |
|---|---|
| Formula | C45 H99 O9 Zr2 |
| Calculated formula | C45 H99 O9 Zr2 |
| SMILES | [Zr]12([O]([Zr]([O]1CC(C)(C)C)([O]2CC(C)(C)C)(OCC(C)(C)C)(OCC(C)(C)C)OCC(C)(C)C)CC(C)(C)C)(OCC(C)(C)C)(OCC(C)(C)C)OCC(C)(C)C |
| Title of publication | Series of Comparable Dinuclear Group 4 Neo-pentoxide Precursors for Production of pH Dependent Group 4 Nanoceramic Morphologies |
| Authors of publication | Timothy J. Boyle; Leigh Anna M. Ottley; Sarah M. Hoppe; Charles F. Campana |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 10798 - 10808 |
| a | 10.7608 ± 0.0015 Å |
| b | 18.481 ± 0.003 Å |
| c | 14.522 ± 0.002 Å |
| α | 90° |
| β | 105.945 ± 0.002° |
| γ | 90° |
| Cell volume | 2776.9 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1214 |
| Residual factor for significantly intense reflections | 0.1097 |
| Weighted residual factors for significantly intense reflections | 0.3415 |
| Weighted residual factors for all reflections included in the refinement | 0.3793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.739 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179251 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/71. |
4317136.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4317136.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317136.cif |
| 10648 | 2011-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4317136 via cif-deposit CGI script. |
4317136.cif |
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Users of the data should acknowledge the original authors of the
structural data.