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Information card for entry 4337559
Preview
| Coordinates | 4337559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H16.5 F3 N6 O6.25 Re S |
|---|---|
| Calculated formula | C24 H16.5 F3 N6 O6.25 Re S |
| Title of publication | Proton-induced reversible modulation of the luminescent output of rhenium(I), iridium(III), and ruthenium(II) tetrazolate complexes. |
| Authors of publication | Werrett, Melissa V.; Muzzioli, Sara; Wright, Phillip J.; Palazzi, Antonio; Raiteri, Paolo; Zacchini, Stefano; Massi, Massimiliano; Stagni, Stefano |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 1 |
| Pages of publication | 229 - 243 |
| a | 26.563 ± 0.003 Å |
| b | 19.134 ± 0.002 Å |
| c | 12.9609 ± 0.0014 Å |
| α | 90° |
| β | 118.078 ± 0.001° |
| γ | 90° |
| Cell volume | 5812.2 ± 1.1 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for significantly intense reflections | 0.0621 |
| Weighted residual factors for all reflections included in the refinement | 0.0677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4337559.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4337559.cif |
| 106464 | 2014-03-15 | cif/ Adding structures of 4337557, 4337558, 4337559, 4337560, 4337561, 4337562, 4337563 via cif-deposit CGI script. |
4337559.cif |
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Users of the data should acknowledge the original authors of the
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