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Information card for entry 4512133
Preview
| Coordinates | 4512133.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H34 Cu N4 O6 |
|---|---|
| Calculated formula | C28 H34 Cu N4 O6 |
| Title of publication | Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers |
| Authors of publication | Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 5749 |
| a | 8.039 ± 0.0016 Å |
| b | 9.21 ± 0.0018 Å |
| c | 11.042 ± 0.002 Å |
| α | 76.54 ± 0.03° |
| β | 72.17 ± 0.03° |
| γ | 67.29 ± 0.03° |
| Cell volume | 711.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0591 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.7108 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179668 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/21. |
4512133.cif |
| 126844 | 2014-11-11 | cif/ Updating files of 4512129, 4512130, 4512131, 4512132, 4512133, 4512134, 4512135 Original log message: Adding full bibliography for 4512129--4512135.cif. |
4512133.cif |
| 125213 | 2014-10-10 | cif/ Adding structures of 4512129, 4512130, 4512131, 4512132, 4512133, 4512134, 4512135 via cif-deposit CGI script. |
4512133.cif |
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Users of the data should acknowledge the original authors of the
structural data.