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Information card for entry 7035553
Preview
| Coordinates | 7035553.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Cu10] |
|---|---|
| Formula | C74 H60 Cl4 Cu10 N12 O38 |
| Calculated formula | C74 H60 Cl4 Cu10 N12 O38 |
| 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 | 23.6341 ± 0.001 Å |
| b | 25.5162 ± 0.0008 Å |
| c | 16.5739 ± 0.0009 Å |
| α | 90° |
| β | 104.244 ± 0.005° |
| γ | 90° |
| Cell volume | 9687.7 ± 0.8 Å3 |
| Cell temperature | 154 ± 0.8 K |
| Ambient diffraction temperature | 154 ± 0.8 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1098 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1501 |
| Weighted residual factors for all reflections included in the refinement | 0.1766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7035553.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. |
7035553.cif |
| 139628 | 2015-06-25 | cif/ Adding structures of 7035553, 7035554, 7035555, 7035556, 7035557, 7035558 via cif-deposit CGI script. |
7035553.cif |
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Users of the data should acknowledge the original authors of the
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