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Information card for entry 2018893
Preview
| Coordinates | 2018893.cif |
|---|---|
| Structure factors | 2018893.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-2-ethoxyphenolato)-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^;κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^-bis[(2-ethoxyphenolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(pyridine-κ<i>N</i>)zinc(II)] toluene hemisolvate |
|---|---|
| Formula | C45.5 H50 N2 O8 Zn2 |
| Calculated formula | C45.5 H50 N2 O8 Zn2 |
| Title of publication | A dinuclear zinc complex containing a diamond-core geometry: [Zn~2~(μ~2~-GueO)~2~(GueO)~2~(py)~2~]·0.5(toluene) (GueOH is guethol) |
| Authors of publication | Petrus, Rafał; Sobota, Piotr |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | 372 - 375 |
| a | 10.151 ± 0.003 Å |
| b | 13.063 ± 0.004 Å |
| c | 16.297 ± 0.005 Å |
| α | 81.37 ± 0.02° |
| β | 74.2 ± 0.03° |
| γ | 85.95 ± 0.04° |
| Cell volume | 2054.8 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0408 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.0716 |
| Weighted residual factors for all reflections included in the refinement | 0.0741 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180857 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/88. |
2018893.cif 2018893.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018893.cif 2018893.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2018893.cif 2018893.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2018893.cif 2018893.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018893.cif 2018893.hkl |
| 85323 | 2013-05-07 | cif/ Adding structures of 2018893 via cif-deposit CGI script. |
2018893.cif |
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Users of the data should acknowledge the original authors of the
structural data.