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Information card for entry 2018461
Preview
| Coordinates | 2018461.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | bis(μ-3,5-dichloro-2-oxidobenzoato)- κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^; κ^3^<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^2^- bis[(3,5-dichloro-2-hydroxybenzoic acid-κ<i>O</i>^1^)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] |
|---|---|
| Formula | C52 H28 Cl8 Cu2 N4 O12 |
| Calculated formula | C52 H28 Cl8 Cu2 N4 O12 |
| Title of publication | Two centrosymmetric dinuclear phenanthroline–copper(II) complexes with 3,5-dichloro-2-hydroxybenzoic acid and 5-chloro-2-hydroxybenzoic acid |
| Authors of publication | Moncol, Ján; Jomová, Klaudia; Porubská, Mária |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m85 - m89 |
| a | 9.2295 ± 0.0002 Å |
| b | 11.6047 ± 0.0003 Å |
| c | 12.9863 ± 0.0003 Å |
| α | 102.423 ± 0.002° |
| β | 99.045 ± 0.002° |
| γ | 106.753 ± 0.002° |
| Cell volume | 1264.44 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0725 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.151 |
| Weighted residual factors for all reflections included in the refinement | 0.1599 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| 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. |
2018461.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2018461.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018461.cif |
| 55665 | 2012-05-05 | cif/ Adding structures of 2018461, 2018462 via cif-deposit CGI script. |
2018461.cif |
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