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Information card for entry 4346511
Preview
| Coordinates | 4346511.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H43 B F2 N8 O2 S4 |
|---|---|
| Calculated formula | C30 H43 B F2 N8 O2 S4 |
| Title of publication | Intracellular distribution of fluorescent copper and zinc bis(thiosemicarbazonato) complexes measured with fluorescence lifetime spectroscopy. |
| Authors of publication | Hickey, James L.; James, Janine L.; Henderson, Clare A.; Price, Katherine A.; Mot, Alexandra I.; Buncic, Gojko; Crouch, Peter J.; White, Jonathan M.; White, Anthony R.; Smith, Trevor A.; Donnelly, Paul S. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 19 |
| Pages of publication | 9556 - 9567 |
| a | 9.6568 ± 0.001 Å |
| b | 10.9113 ± 0.0013 Å |
| c | 17.452 ± 0.002 Å |
| α | 93.022 ± 0.01° |
| β | 105.926 ± 0.01° |
| γ | 90.971 ± 0.009° |
| Cell volume | 1764.9 ± 0.4 Å3 |
| Cell temperature | 130 ± 0.2 K |
| Ambient diffraction temperature | 130 ± 0.2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0884 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.0966 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.817 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4346511.cif |
| 231817 | 2019-11-23 | cif/ Adding structures of 4346511 via cif-deposit CGI script. |
4346511.cif |
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Users of the data should acknowledge the original authors of the
structural data.