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Information card for entry 2018725
Preview
| Coordinates | 2018725.cif |
|---|---|
| Structure factors | 2018725.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(acetato-κ<i>O</i>)bis[2-(pyridin-2-yl)ethanol- κ^2^<i>N</i>,<i>O</i>]nickel(II) |
|---|---|
| Formula | C18 H24 N2 Ni O6 |
| Calculated formula | C18 H24 N2 Ni O6 |
| SMILES | c12CC[OH][Ni]3([n]1cccc2)([n]1c(cccc1)CC[OH]3)(OC(=O)C)OC(=O)C |
| Title of publication | A new polymorphic form of bis(acetato-κ<i>O</i>)bis[2-(pyridin-2-yl)ethanol-κ^2^<i>N</i>,<i>O</i>]nickel(II) |
| Authors of publication | Trdin, Miha; Lah, Nina |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m359 - m362 |
| a | 8.4292 ± 0.0003 Å |
| b | 12.4129 ± 0.0004 Å |
| c | 12.085 ± 0.0004 Å |
| α | 90° |
| β | 131.175 ± 0.002° |
| γ | 90° |
| Cell volume | 951.76 ± 0.06 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0707 |
| Weighted residual factors for all reflections included in the refinement | 0.0753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2018725.cif 2018725.hkl |
| 180856 | 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 2/01/87. |
2018725.cif 2018725.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. |
2018725.cif 2018725.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018725.cif 2018725.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018725.cif 2018725.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2018725.cif 2018725.hkl |
| 71302 | 2013-01-18 | cif/ Adding structures of 2018725 via cif-deposit CGI script. |
2018725.cif |
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Users of the data should acknowledge the original authors of the
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