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Information card for entry 7029366
Preview
| Coordinates | 7029366.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | MonOxaC4 Cu4 |
|---|---|
| Formula | C106 H152 Cu4 N4 O18 |
| Calculated formula | C106 H152 Cu4 N4 O18 |
| Title of publication | Oxacalix[4]arene-supported di-, tetra- and undecanuclear copper(ii) clusters. |
| Authors of publication | Fairbairn, Robyn E.; McLellan, Ross; McIntosh, Ruaraidh D.; Palacios, Maria A.; Brechin, Euan K.; Dalgarno, Scott J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 14 |
| Pages of publication | 5292 - 5298 |
| a | 20.021 ± 0.003 Å |
| b | 12.9755 ± 0.0016 Å |
| c | 21.644 ± 0.003 Å |
| α | 90° |
| β | 104.916 ± 0.006° |
| γ | 90° |
| Cell volume | 5433.3 ± 1.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1831 |
| Residual factor for significantly intense reflections | 0.0862 |
| Weighted residual factors for significantly intense reflections | 0.1897 |
| Weighted residual factors for all reflections included in the refinement | 0.2307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7029366.cif |
| 179999 | 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 7/02/93. |
7029366.cif |
| 107134 | 2014-03-18 | cif/ Adding structures of 7029365, 7029366, 7029367 via cif-deposit CGI script. |
7029366.cif |
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Users of the data should acknowledge the original authors of the
structural data.