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Information card for entry 1571386
Preview
| Coordinates | 1571386.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28.5 H19 Cl F4 Ir N4 O2.5 |
|---|---|
| Calculated formula | C28.5 H18.9999 Cl0.9999 F4 Ir N4 O2.5 |
| Title of publication | Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors |
| Authors of publication | Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. |
| Journal of publication | Crystals |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 3 |
| Pages of publication | 281 |
| a | 20.1167 ± 0.0011 Å |
| b | 16.8038 ± 0.001 Å |
| c | 17.1342 ± 0.0009 Å |
| α | 90° |
| β | 107.127 ± 0.002° |
| γ | 90° |
| Cell volume | 5535.1 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0504 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0778 |
| Weighted residual factors for all reflections included in the refinement | 0.0872 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291084 (current) | 2024-04-05 | cif/ Adding structures of 1571385, 1571386, 1571387, 1571388, 1571389, 1571390, 1571391, 1571392, 1571393 via cif-deposit CGI script. |
1571386.cif |
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Users of the data should acknowledge the original authors of the
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