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Information card for entry 4341218
Preview
| Coordinates | 4341218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H37 Cl3 Ir N2 O3 P2 |
|---|---|
| Calculated formula | C40 H37 Cl3 Ir N2 O3 P2 |
| SMILES | [Ir]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[O]=N(=O)N1C(=O)CC.ClCCl |
| Title of publication | Activation of nitrogen brønsted acids: synthesis and reactivity of a new class of nitrogen Acid complexes. |
| Authors of publication | Bohle, D. Scott; Chua, Zhijie |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 20 |
| Pages of publication | 11160 - 11172 |
| a | 11.2223 ± 0.0017 Å |
| b | 12.396 ± 0.0018 Å |
| c | 15.945 ± 0.002 Å |
| α | 69.818 ± 0.002° |
| β | 76.442 ± 0.002° |
| γ | 74.736 ± 0.002° |
| Cell volume | 1983.1 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.04 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.0878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179515 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/12. |
4341218.cif |
| 126902 | 2014-11-12 | cif/ Updating files of 4341213, 4341214, 4341215, 4341216, 4341217, 4341218, 4341219 Original log message: Adding full bibliography for 4341213--4341219.cif. |
4341218.cif |
| 124991 | 2014-10-07 | cif/ Adding structures of 4341218 via cif-deposit CGI script. |
4341218.cif |
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Users of the data should acknowledge the original authors of the
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