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Information card for entry 7204674
Preview
| Coordinates | 7204674.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H68 O12 Zr2 |
|---|---|
| Calculated formula | C34 H68 O12 Zr2 |
| Title of publication | Synthesis and structure of mixed isopropoxide–β-ketoester and β-ketoamide zirconium complexes: Potential precursors for MOCVD of ZrO~2~ |
| Authors of publication | Patil, Urmila; Winter, Manuela; Becker, Hans-Werner; Devi, Anjana |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2003 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 2177 - 2184 |
| a | 10.977 ± 0.003 Å |
| b | 13.192 ± 0.004 Å |
| c | 16.218 ± 0.005 Å |
| α | 74.74 ± 0.02° |
| β | 89.86 ± 0.02° |
| γ | 89.86 ± 0.03° |
| Cell volume | 2265.7 ± 1.2 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1133 |
| Residual factor for significantly intense reflections | 0.0693 |
| Weighted residual factors for significantly intense reflections | 0.189 |
| Weighted residual factors for all reflections included in the refinement | 0.2415 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7204674.cif |
| 275116 | 2022-05-06 | cif/7/20/46/ Updated bibliographic information in entries 7204672-7204674. |
7204674.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7204674.cif |
| 180377 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/46. |
7204674.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7204674.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204674.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7204674.cif |
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