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Information card for entry 2241208
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| Coordinates | 2241208.cif |
|---|---|
| Structure factors | 2241208.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Copper caproato 4-cyanopyridine |
|---|---|
| Chemical name | Tetrakis(μ-caproato-κ^2^<i>O</i>:<i>O</i>')bis[(4-cyanopyridine-κ<i>N</i>^1^)copper(II)] |
| Formula | C36 H52 Cu2 N4 O8 |
| Calculated formula | C36 H52 Cu2 N4 O8 |
| Title of publication | Crystal structure of tetrakis(μ-caproato-κ^2^<i>O</i>:<i>O</i>')bis[(4-cyanopyridine-κ<i>N</i>^1^)copper(II)] |
| Authors of publication | Baruah, Sukanya; Islam, Zinnatara; Karmakar, Sanjib; Das, Birinchi Kumar |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | m195 - m196 |
| a | 8.774 ± 0.0004 Å |
| b | 25.3083 ± 0.0011 Å |
| c | 17.7893 ± 0.0008 Å |
| α | 90° |
| β | 101.321 ± 0.002° |
| γ | 90° |
| Cell volume | 3873.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0507 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0788 |
| Weighted residual factors for all reflections included in the refinement | 0.0842 |
| 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 | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241208.cif 2241208.hkl |
| 181913 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241208.cif 2241208.hkl |
| 167935 | 2015-10-14 | cif/ hkl/ Adding structures of 2241208 via cif-deposit CGI script. |
2241208.cif 2241208.hkl |
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Users of the data should acknowledge the original authors of the
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