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Information card for entry 4121910
Preview
| Coordinates | 4121910.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H40 N8 O16 |
|---|---|
| Calculated formula | C56 H40 N8 O16 |
| Title of publication | Temperature- and pressure-induced proton transfer in the 1:1 adduct formed between squaric acid and 4,4'-bipyridine. |
| Authors of publication | Martins, David M. S.; Middlemiss, Derek S.; Pulham, Colin R.; Wilson, Chick C.; Weller, Mark T.; Henry, Paul F.; Shankland, Norman; Shankland, Kenneth; Marshall, William G.; Ibberson, Richard M.; Knight, Kevin; Moggach, Stephen; Brunelli, Michela; Morrison, Carole A. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Journal issue | 11 |
| Pages of publication | 3884 - 3893 |
| a | 12.43 ± 0.0027 Å |
| b | 11.2743 ± 0.0012 Å |
| c | 9.0678 ± 0.0022 Å |
| α | 90° |
| β | 109.488 ± 0.014° |
| γ | 90° |
| Cell volume | 1198 ± 0.4 Å3 |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4121910.cif |
| 114788 | 2014-05-29 | cif/ Adding structures of 4121910 via cif-deposit CGI script. |
4121910.cif |
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