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Information card for entry 2239017
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| Coordinates | 2239017.cif |
|---|---|
| Structure factors | 2239017.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hydrido(prolinato-κ^2^<i>N</i>,<i>O</i>)tris(trimethylphosphane-κ<i>P</i>)iridium hexafluoridophosphate |
|---|---|
| Formula | C14 H36 F6 Ir N O2 P4 |
| Calculated formula | C14 H36 F6 Ir N O2 P4 |
| Title of publication | Hydrido(prolinato-κ^2^<i>N</i>,<i>O</i>)tris(trimethylphosphane-κ<i>P</i>)iridium(III) hexafluoridophosphate |
| Authors of publication | Merola, Joseph S.; Roy, Christopher P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | m73 - m74 |
| a | 10.824 ± 0.002 Å |
| b | 20.021 ± 0.004 Å |
| c | 11.826 ± 0.002 Å |
| α | 90° |
| β | 91.15 ± 0.01° |
| γ | 90° |
| Cell volume | 2562.3 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.037 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0724 |
| Weighted residual factors for all reflections included in the refinement | 0.0751 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239017.cif 2239017.hkl |
| 181309 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/90. |
2239017.cif 2239017.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239017.cif 2239017.hkl |
| 104849 | 2014-03-11 | cif/ hkl/ Adding structures of 2239017 via cif-deposit CGI script. |
2239017.cif 2239017.hkl |
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Users of the data should acknowledge the original authors of the
structural data.