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Information card for entry 4501373
Preview
| Coordinates | 4501373.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | nicotinamide CaCl2 H2O |
|---|---|
| Formula | C6 Ca Cl2 N2 O2 |
| Calculated formula | C6 Ca Cl2 N2 O2 |
| Title of publication | Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients |
| Authors of publication | Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 12 |
| Pages of publication | 5621 |
| a | 9.68836 ± 0.00019 Å |
| b | 9.27808 ± 0.00012 Å |
| c | 6.19667 ± 0.00011 Å |
| α | 103.035 ± 0.0016° |
| β | 98.5641 ± 0.0014° |
| γ | 107.858 ± 0.0017° |
| Cell volume | 502.027 ± 0.017 Å3 |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Method of determination | powder diffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179544 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/13. |
4501373.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501373.cif |
| 34881 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4501370, 4501371, 4501372, 4501373, 4501374, 4501375, 4501376 via cif-deposit CGI script. |
4501373.cif |
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