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Information card for entry 1512913
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| Coordinates | 1512913.cif |
|---|
| Common name | (10) Zr2(OBc)(ONep)7 |
|---|---|
| Formula | C40 H86 O9 Zr2 |
| Calculated formula | C40 H86 O9 Zr2 |
| SMILES | [Zr]123([O](CC(C)(C)C)[Zr]([O]1C(=[O]2)C(C)(C)C)([O]3CC(C)(C)C)(OCC(C)(C)C)(OCC(C)(C)C)OCC(C)(C)C)(OCC(C)(C)C)OCC(C)(C)C |
| Title of publication | Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films |
| Authors of publication | Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez |
| Journal of publication | Personal Communication to COD |
| Year of publication | 2013 |
| a | 10.8196 ± 0.0008 Å |
| b | 19.1126 ± 0.0014 Å |
| c | 12.074 ± 0.0009 Å |
| α | 90° |
| β | 93.189 ± 0.001° |
| γ | 90° |
| Cell volume | 2492.9 ± 0.3 Å3 |
| Cell temperature | 168 ± 2 K |
| Ambient diffraction temperature | 168 ± 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 | 0.1045 |
| Residual factor for significantly intense reflections | 0.0987 |
| Weighted residual factors for significantly intense reflections | 0.2869 |
| Weighted residual factors for all reflections included in the refinement | 0.2948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.326 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205758 (current) | 2018-01-26 | cif/1/51/29/ Correcting a typo in the journal name "Personal Communication to COD" in entry 1512913. |
1512913.cif |
| 176729 | 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. |
1512913.cif |
| 91081 | 2013-12-06 | cif/1/51/29/ (saulius@koala.ibt.lt) Updating 1512913.cif: reassigning this entry as a "Personal Communication to COD", since it does not match any summary formula in the paper, and the compound (10) mentioned in the substance name is different (and assigned to other COD entry). |
1512913.cif |
| 91065 | 2013-12-06 | cif/ Adding structures of 1512905, 1512906, 1512907, 1512908, 1512909, 1512910, 1512911, 1512912, 1512913, 1512914 via cif-deposit CGI script. |
1512913.cif |
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