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Information card for entry 4342223
Preview
| Coordinates | 4342223.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H32 Cu N2 O5 |
|---|---|
| Calculated formula | C25 H32 Cu N2 O5 |
| SMILES | [Cu]12([n]3c(c4[n]2cccc4)cccc3)OC(=O)c2c(O1)c(cc(c2)C(C)C)C(C)C.CO.OC |
| Title of publication | Isolation of a Metastable Intermediate in a Heterometallic Cu(II)-Hg(II) 1D Polymeric Chain: Synthesis, Crystal Structure, and Photophysical Properties. |
| Authors of publication | Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 1293 - 1299 |
| a | 10.7914 ± 0.0005 Å |
| b | 10.9401 ± 0.0004 Å |
| c | 11.7748 ± 0.0005 Å |
| α | 90.658 ± 0.003° |
| β | 109.259 ± 0.004° |
| γ | 113.692 ± 0.004° |
| Cell volume | 1184.93 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0352 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4342223.cif |
| 179525 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/22. |
4342223.cif |
| 132806 | 2015-03-04 | cif/ Updating files of 4342221, 4342222, 4342223 Original log message: Adding full bibliography for 4342221--4342223.cif. |
4342223.cif |
| 130428 | 2015-02-04 | cif/ Adding structures of 4342221, 4342222, 4342223 via cif-deposit CGI script. |
4342223.cif |
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Users of the data should acknowledge the original authors of the
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