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Information card for entry 2021425
Preview
| Coordinates | 2021425.cif |
|---|---|
| Structure factors | 2021425.hkl |
| Original IUCr paper | HTML |
| Chemical name | [7-(4-Chlorophenyl)-1,1,3,3-tetraphenyl-5,6,7-triaza-κ<i>N</i>^7^-1,3λ^4^-diphospha-κ<i>P</i>^1^-hepta-4,6-dien-4-yl][methylenebis(diphenylphosphine)-κ^2^<i>P</i>,<i>P</i>']iridium(I) chloride‒dichloromethane‒toluene (2/3/1) |
|---|---|
| Formula | C62 H55 Cl5 Ir N3 P4 |
| Calculated formula | C62 H55 Cl5 Ir N3 P4 |
| Title of publication | Crystal structures of two PCN pincer iridium complexes and one PCP pincer carbodiphosphorane iridium intermediate: substitution of one phosphine moiety of a carbodiphosphorane by an organic azide |
| Authors of publication | Partl, Gabriel Julian; Nussbaumer, Felix; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 1 |
| Pages of publication | 75 |
| a | 28.1283 ± 0.0003 Å |
| b | 19.0989 ± 0.0002 Å |
| c | 23.6339 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12696.6 ± 0.2 Å3 |
| Cell temperature | 233 ± 2 K |
| Ambient diffraction temperature | 233 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1169 |
| Weighted residual factors for all reflections included in the refinement | 0.1264 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212654 (current) | 2018-12-19 | cif/ hkl/ Adding structures of 2021424, 2021425, 2021426 via cif-deposit CGI script. |
2021425.cif 2021425.hkl |
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