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Information card for entry 1513341
Preview
| Coordinates | 1513341.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H43 Cl2 Ir P2 |
|---|---|
| Calculated formula | C18 H43 Cl2 Ir P2 |
| Title of publication | Experimental Characterization of the Hydride (1)H Shielding Tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: Extremely Shielded Hydride Protons with Unusually Large Magnetic Shielding Anisotropies. |
| Authors of publication | Garbacz, Piotr; Terskikh, Victor V.; Ferguson, Michael J.; Bernard, Guy M.; Kędziorek, Mariusz; Wasylishen, Roderick E. |
| Journal of publication | The journal of physical chemistry. A |
| Year of publication | 2014 |
| Journal volume | 118 |
| Journal issue | 7 |
| Pages of publication | 1203 - 1212 |
| a | 8.0646 ± 0.0004 Å |
| b | 8.9616 ± 0.0004 Å |
| c | 16.2738 ± 0.0008 Å |
| α | 90° |
| β | 92.672 ± 0.001° |
| γ | 90° |
| Cell volume | 1174.86 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0152 |
| Residual factor for significantly intense reflections | 0.0135 |
| Weighted residual factors for significantly intense reflections | 0.0318 |
| Weighted residual factors for all reflections included in the refinement | 0.0327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1513341.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1513341.cif |
| 104071 | 2014-03-10 | cif/ Adding structures of 1513341 via cif-deposit CGI script. |
1513341.cif |
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Users of the data should acknowledge the original authors of the
structural data.