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Information card for entry 2239399
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| Coordinates | 2239399.cif |
|---|---|
| Structure factors | 2239399.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>mer</i>-Hydridotris(trimethylphosphane-κ<i>P</i>)(<i>D</i>-valinato-κ^2^<i>N</i>,<i>O</i>)iridium hexafluoridophosphate dichloromethane 0.675-solvate |
|---|---|
| Formula | C14.68 H39.35 Cl1.35 F6 Ir N O2 P4 |
| Calculated formula | C14.675 H39.35 Cl1.35 F6 Ir N O2 P4 |
| Title of publication | <i>mer</i>-Hydridotris(trimethylphosphane-κ<i>P</i>)(<small>D</small>-valinato-κ^2^<i>N</i>,<i>O</i>)iridium hexafluoridophosphate dichloromethane 0.675-solvate |
| Authors of publication | Merola, Joseph S.; Slebodnick, Carla; Berg, Michael; Ritchie, Melissa K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | m82 |
| a | 14.04454 ± 0.00017 Å |
| b | 14.04454 ± 0.00017 Å |
| c | 14.2657 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2813.9 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 8 |
| Space group number | 76 |
| Hermann-Mauguin space group symbol | P 41 |
| Hall space group symbol | P 4w |
| Residual factor for all reflections | 0.0467 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0446 |
| Weighted residual factors for all reflections included in the refinement | 0.0461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.805 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239399.cif 2239399.hkl |
| 181312 | 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 2/23/93. |
2239399.cif 2239399.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. |
2239399.cif 2239399.hkl |
| 110682 | 2014-04-19 | cif/ hkl/ Adding structures of 2239399 via cif-deposit CGI script. |
2239399.cif 2239399.hkl |
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