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Information card for entry 7044526
Preview
| Coordinates | 7044526.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C105.5 H71 B Cl F24 Ir P4 |
|---|---|
| Calculated formula | C105.5 H71 B Cl F24 Ir P4 |
| Title of publication | Facile generation of iridium PCcarbeneP pincer complexes via water elimination from an alcohol proligand |
| Authors of publication | Sung, Simon; Young, Rowan Drury |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 12.7542 ± 0.0006 Å |
| b | 17.2595 ± 0.0007 Å |
| c | 22.2988 ± 0.001 Å |
| α | 73.992 ± 0.0015° |
| β | 74.3769 ± 0.0018° |
| γ | 83.4459 ± 0.0016° |
| Cell volume | 4539.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 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 | 0.049 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for all reflections | 0.0862 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.0861 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9832 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202290 (current) | 2017-10-25 | cif/ Adding structures of 7044520, 7044521, 7044522, 7044523, 7044524, 7044525, 7044526 via cif-deposit CGI script. |
7044526.cif |
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Users of the data should acknowledge the original authors of the
structural data.