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Information card for entry 7025405
Preview
| Coordinates | 7025405.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H18 Cu N4 O8 |
|---|---|
| Calculated formula | C24 H18 Cu N4 O8 |
| Title of publication | Coordination-driven self-assembly of discrete and polymeric copper(ii) and dicopper(ii) supramolecular structures based on oxacalix[2]benzene[2]pyrazines. |
| Authors of publication | Li, Xiao-Yan; Liu, Long-Qing; Ma, Ming-Liang; Zhao, Xiao-Li; Wen, Ke |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 37 |
| Pages of publication | 8646 - 8651 |
| a | 8.4061 ± 0.0001 Å |
| b | 11.6525 ± 0.0001 Å |
| c | 13.5896 ± 0.0002 Å |
| α | 111.501 ± 0.001° |
| β | 96.246 ± 0.001° |
| γ | 103.678 ± 0.001° |
| Cell volume | 1174.91 ± 0.03 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0278 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0731 |
| Weighted residual factors for all reflections included in the refinement | 0.0749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7025405.cif |
| 179960 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/54. |
7025405.cif |
| 93025 | 2014-01-12 | cif/ Adding structures of 7025404, 7025405, 7025406, 7025407 via cif-deposit CGI script. |
7025405.cif |
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Users of the data should acknowledge the original authors of the
structural data.