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Information card for entry 7002663
Preview
| Coordinates | 7002663.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H35 B N6 O3 Zn |
|---|---|
| Calculated formula | C40 H35 B N6 O3 Zn |
| SMILES | [Zn]12(Oc3ccc4c(oc(=O)cc4C)c3)[n]3n([BH](n4[n]1c(cc4C)c1ccccc1)n1[n]2c(cc1C)c1ccccc1)c(cc3c1ccccc1)C |
| Title of publication | New fluorescent zinc complexes: towards specific sensors for hydrogen sulfide in solution |
| Authors of publication | Galardon, Erwan; Tomas, Alain; Roussel, Pascal; Artaud, Isabelle |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 42 |
| Pages of publication | 9126 |
| a | 10.902 ± 0.001 Å |
| b | 11.137 ± 0.001 Å |
| c | 16.913 ± 0.001 Å |
| α | 81.85 ± 0.02° |
| β | 79.07 ± 0.02° |
| γ | 61.13 ± 0.02° |
| Cell volume | 1762.7 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0455 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7002663.cif |
| 179730 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/26. |
7002663.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002663.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002663.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002663.cif |
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