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Information card for entry 7205306
Preview
| Coordinates | 7205306.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (adipic acid).(nicotinic acid hydrazide)2 |
|---|---|
| Chemical name | (adipic acid).(nicotinic acid hydrazide)2 |
| Formula | C18 H24 N6 O6 |
| Calculated formula | C18 H24 N6 O6 |
| SMILES | c1(cnccc1)C(=O)NN.OC(=O)CCCCC(=O)O.c1(cnccc1)C(=O)NN |
| Title of publication | Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality |
| Authors of publication | Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 1 |
| Pages of publication | 55 |
| a | 13.191 ± 0.0008 Å |
| b | 10.3449 ± 0.0005 Å |
| c | 7.4635 ± 0.0004 Å |
| α | 90° |
| β | 102.23 ± 0.006° |
| γ | 90° |
| Cell volume | 995.35 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0618 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1285 |
| Weighted residual factors for all reflections included in the refinement | 0.1317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.21 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180384 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/53. |
7205306.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205306.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205306.cif |
| 14606 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7205306, 7205307, 7205308, 7205309 via cif-deposit CGI script. |
7205306.cif |
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