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Information card for entry 7215842
Preview
| Coordinates | 7215842.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H20 N4 |
|---|---|
| Calculated formula | C20 H20 N4 |
| SMILES | c1(cc(C#N)ccc1)CN1CCN(Cc2cccc(C#N)c2)CC1 |
| Title of publication | The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers |
| Authors of publication | Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 28 |
| Pages of publication | 6459 |
| a | 6.1328 ± 0.0005 Å |
| b | 7.1872 ± 0.0006 Å |
| c | 10.0545 ± 0.0009 Å |
| α | 78.816 ± 0.005° |
| β | 74.898 ± 0.005° |
| γ | 79.084 ± 0.006° |
| Cell volume | 415.21 ± 0.06 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0741 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.1158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215842.cif |
| 180489 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/58. |
7215842.cif |
| 119425 | 2014-07-07 | cif/ Updating files of 7215836, 7215837, 7215838, 7215839, 7215840, 7215841, 7215842 Original log message: Adding full bibliography for 7215836--7215842.cif. |
7215842.cif |
| 113343 | 2014-05-11 | cif/ Adding structures of 7215836, 7215837, 7215838, 7215839, 7215840, 7215841, 7215842 via cif-deposit CGI script. |
7215842.cif |
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Users of the data should acknowledge the original authors of the
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