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Information card for entry 7054472
Preview
| Coordinates | 7054472.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H8 N4 |
|---|---|
| Calculated formula | C9 H8 N4 |
| SMILES | n1c2ccccc2ncc1/C=N/N |
| Title of publication | A highly selective ratiometric chemosensor for Ni2+in a quinoxaline matrix |
| Authors of publication | Goswami, Shyamaprosad; Chakraborty, Shampa; Adak, Monoj Kumar; Halder, Sandipan; Quah, Ching Kheng; Fun, Hoong-Kun; Pakhira, Bholanath; Sarkar, Sabyasachi |
| Journal of publication | New J. Chem. |
| Year of publication | 2014 |
| Journal volume | 38 |
| Journal issue | 12 |
| Pages of publication | 6230 |
| a | 7.3136 ± 0.0013 Å |
| b | 4.5404 ± 0.0008 Å |
| c | 12.823 ± 0.002 Å |
| α | 90° |
| β | 103.9 ± 0.004° |
| γ | 90° |
| Cell volume | 413.34 ± 0.12 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0374 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180098 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/44. |
7054472.cif |
| 128415 | 2014-12-06 | cif/ Updating files of 7054472 Original log message: Adding full bibliography for 7054472.cif. |
7054472.cif |
| 125131 | 2014-10-09 | cif/ Adding structures of 7054472 via cif-deposit CGI script. |
7054472.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.