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Information card for entry 7716818
Preview
| Coordinates | 7716818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H80 Cl4 N16 O18 Zn2 |
|---|---|
| Calculated formula | C88 H80 Cl4 N16 O18 Zn2 |
| Title of publication | Selective sensing of picric acid using a Zn(II)-metallacycle: experimental and theoretical validation of the sensing mechanism and quantitative analysis of sensitivity in contact mode detection. |
| Authors of publication | Jaswal, Vishakha; Pachisia, Sanya; Chaudhary, Jagrity; Rangan, Krishnan; Sarkar, Madhushree |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 35 |
| Pages of publication | 14710 - 14724 |
| a | 17.24 ± 0.0003 Å |
| b | 11.9521 ± 0.0002 Å |
| c | 21.5421 ± 0.0004 Å |
| α | 90° |
| β | 98.188 ± 0.002° |
| γ | 90° |
| Cell volume | 4393.59 ± 0.14 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0848 |
| Residual factor for significantly intense reflections | 0.0614 |
| Weighted residual factors for significantly intense reflections | 0.1553 |
| Weighted residual factors for all reflections included in the refinement | 0.1672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295266 (current) | 2024-10-06 | cif/ Updating files of 7716818 Original log message: Adding full bibliography for 7716818.cif. |
7716818.cif |
| 294041 | 2024-08-08 | cif/ Adding structures of 7716818 via cif-deposit CGI script. |
7716818.cif |
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Users of the data should acknowledge the original authors of the
structural data.