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Information card for entry 1512908
Preview
| Coordinates | 1512908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (5) Zr2(OBc)(OPri)7(HOPri)*(HOPri) |
|---|---|
| Formula | C32 H74 O11 Zr2 |
| Calculated formula | C32 H74 O11 Zr2 |
| SMILES | CC(O[Zr]12(OC(C)C)(OC(C)C)OC(O[Zr]([O]1C(C)C)([O]2C(C)C)([OH]C(C)C)(OC(C)C)OC(C)C)C(C)(C)C)C.CC(O)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 | Polyhedron |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 13 |
| Pages of publication | 1727 - 1738 |
| a | 12.737 ± 0.003 Å |
| b | 12.943 ± 0.003 Å |
| c | 15.756 ± 0.004 Å |
| α | 76.786 ± 0.004° |
| β | 86.427 ± 0.004° |
| γ | 61.086 ± 0.003° |
| Cell volume | 2209.9 ± 0.9 Å3 |
| Cell temperature | 168 ± 2 K |
| Ambient diffraction temperature | 168 ± 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 | 0.0716 |
| Residual factor for significantly intense reflections | 0.0635 |
| Weighted residual factors for significantly intense reflections | 0.1686 |
| Weighted residual factors for all reflections included in the refinement | 0.1774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| 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. |
1512908.cif |
| 91073 | 2013-12-06 | cif/1/51/29/ (saulius@koala.ibt.lt) Updating entry 1512908.cif. The following markup was performed in this entry: a) disordered atoms were assigned to two different disorder assempblies and distributed into two disorder groups; b) _atom_site_attached_hydrogens were added to atoms missing explicit hydrogens, in the places where the presence of a hydrogen was evident from the chemistry. After these updates, the computed, declared and published chmical formulae all are the same. |
1512908.cif |
| 91065 | 2013-12-06 | cif/ Adding structures of 1512905, 1512906, 1512907, 1512908, 1512909, 1512910, 1512911, 1512912, 1512913, 1512914 via cif-deposit CGI script. |
1512908.cif |
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Users of the data should acknowledge the original authors of the
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