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Information card for entry 7215024
Preview
| Coordinates | 7215024.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H26 O2 S2 |
|---|---|
| Calculated formula | C25 H26 O2 S2 |
| Title of publication | Anion-dependent coordinative networking of macrocycle with copper(i) halides |
| Authors of publication | Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 14 |
| Pages of publication | 4589 |
| a | 5.5135 ± 0.0002 Å |
| b | 8.1356 ± 0.0003 Å |
| c | 47.2858 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2121.03 ± 0.13 Å3 |
| Cell temperature | 174 ± 2 K |
| Ambient diffraction temperature | 174 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1149 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215024.cif |
| 180481 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/50. |
7215024.cif |
| 111016 | 2014-04-20 | cif/ Adding structures of 7215024, 7215025, 7215026, 7215027, 7215028 via cif-deposit CGI script. |
7215024.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.