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Information card for entry 7035558
Preview
| Coordinates | 7035558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C125.5 H125 Cu14 N20 O64 |
|---|---|
| Calculated formula | C125.5 H125 Cu14 N20 O64 |
| Title of publication | Molecular Pac-Man and Tacos: layered Cu(ii) cages from ligands with high binding site concentrations. |
| Authors of publication | McDonald, Cecelia; Williams, David W.; Comar, Priyanka; Coles, Simon J.; Keene, Tony D.; Pitak, Mateusz B.; Brechin, Euan K.; Jones, Leigh F. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 29 |
| Pages of publication | 13359 - 13368 |
| a | 15.4185 ± 0.0006 Å |
| b | 22.8429 ± 0.0007 Å |
| c | 25.1092 ± 0.0009 Å |
| α | 71.435 ± 0.003° |
| β | 77.204 ± 0.003° |
| γ | 80.405 ± 0.003° |
| Cell volume | 8130.8 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 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 | 0.1771 |
| Residual factor for significantly intense reflections | 0.0861 |
| Weighted residual factors for significantly intense reflections | 0.2038 |
| Weighted residual factors for all reflections included in the refinement | 0.2446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7035558.cif |
| 153212 | 2015-08-08 | cif/ Updating files of 7035553, 7035554, 7035555, 7035556, 7035557, 7035558 Original log message: Adding full bibliography for 7035553--7035558.cif. |
7035558.cif |
| 139628 | 2015-06-25 | cif/ Adding structures of 7035553, 7035554, 7035555, 7035556, 7035557, 7035558 via cif-deposit CGI script. |
7035558.cif |
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Users of the data should acknowledge the original authors of the
structural data.