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Information card for entry 2018462
Preview
| Coordinates | 2018462.cif |
|---|---|
| Structure factors | 2018462.hkl |
| Original IUCr paper | HTML |
| Chemical name | bis(μ-5-chloro-2-oxidobenzoato)- 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[(5-chloro-2-hydroxybenzoic acid-κ<i>O</i>^1^)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] ethanol monosolvate |
|---|---|
| Formula | C54 H38 Cl4 Cu2 N4 O13 |
| Calculated formula | C54 H38 Cl4 Cu2 N4 O13 |
| 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 | 7.9153 ± 0.0002 Å |
| b | 11.1877 ± 0.0003 Å |
| c | 15.0623 ± 0.0003 Å |
| α | 72.456 ± 0.002° |
| β | 77.056 ± 0.002° |
| γ | 83.897 ± 0.002° |
| Cell volume | 1238.39 ± 0.05 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 | 0.0403 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections included in the refinement | 0.0964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180853 (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 2/01/84. |
2018462.cif 2018462.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2018462.cif 2018462.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018462.cif 2018462.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. | 2018462.cif 2018462.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018462.cif 2018462.hkl |
| 55665 | 2012-05-05 | cif/ Adding structures of 2018461, 2018462 via cif-deposit CGI script. |
2018462.cif |
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Users of the data should acknowledge the original authors of the
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