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Information card for entry 7709519
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| Coordinates | 7709519.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ir-BTD-IG |
|---|---|
| Formula | C42 H28 Cl3 Ir N6 S2 |
| Calculated formula | C42 H28 Cl3 Ir N6 S2 |
| Title of publication | Luminescent Iridium(III) Dipyrrinato Complexes: Synthesis, X-ray Structures, DFT and Photocytotoxicity Studies of Glycosylated Derivatives |
| Authors of publication | Gupta, Iti; Manav, Neha; Lone, Mohsin; Raza, Md Kausar; Chavda, Jaydeepsinh; Mori, Shigeki |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 9.3922 ± 0.0006 Å |
| b | 13.6988 ± 0.0011 Å |
| c | 16.1785 ± 0.0006 Å |
| α | 103.329 ± 0.005° |
| β | 106.405 ± 0.005° |
| γ | 104.69 ± 0.006° |
| Cell volume | 1826.3 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.1081 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1225 |
| Weighted residual factors for all reflections included in the refinement | 0.1351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272983 (current) | 2022-02-16 | cif/ Adding structures of 7709519, 7709520 via cif-deposit CGI script. |
7709519.cif |
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