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Information card for entry 7033368
Preview
| Coordinates | 7033368.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Cu(HTyrNO2)2(H2O)].2DMSO |
|---|---|
| Formula | C36 H44 Cu N4 O13 S2 |
| Calculated formula | C36 H44 Cu N4 O13 S2 |
| SMILES | c1(ccc(cc1)O)C[C@H]1C(=O)O[Cu]2([NH](Cc3ccc(cc3)N(=O)=O)[C@H](C(=O)O2)Cc2ccc(cc2)O)([OH2])[NH]1Cc1ccc(N(=O)=O)cc1.O=S(C)C.O=S(C)C |
| Title of publication | Solvent effect on neutral chiral supramolecular assemblies and their distinct receptor behaviour towards anions. |
| Authors of publication | Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 4 |
| Pages of publication | 1520 - 1525 |
| a | 11.9587 ± 0.0007 Å |
| b | 7.994 ± 0.0005 Å |
| c | 21.4277 ± 0.0011 Å |
| α | 90° |
| β | 96.212 ± 0.003° |
| γ | 90° |
| Cell volume | 2036.4 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0408 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0729 |
| Weighted residual factors for all reflections included in the refinement | 0.0925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7033368.cif |
| 180039 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/33. |
7033368.cif |
| 133261 | 2015-03-06 | cif/ Updating files of 7033368, 7033369 Original log message: Adding full bibliography for 7033368--7033369.cif. |
7033368.cif |
| 128488 | 2014-12-09 | cif/ Adding structures of 7033368, 7033369 via cif-deposit CGI script. |
7033368.cif |
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