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Information card for entry 2234742
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| Coordinates | 2234742.cif |
|---|---|
| Structure factors | 2234742.hkl |
| Original IUCr paper | HTML |
| Chemical name | Iodido(tri-<i>tert</i>-butylphosphane-κ<i>P</i>)gold(I) |
|---|---|
| Formula | C12 H27 Au I P |
| Calculated formula | C12 H27 Au I P |
| SMILES | [Au](I)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C |
| Title of publication | Iodido(tri-<i>tert</i>-butylphosphane-κ<i>P</i>)gold(I) |
| Authors of publication | Sänger, Inge; Lerner, Hans-Wolfram; Sinke, Tanja; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | m708 |
| a | 7.8198 ± 0.0011 Å |
| b | 8.9417 ± 0.0013 Å |
| c | 12.3507 ± 0.0019 Å |
| α | 85.325 ± 0.012° |
| β | 72.84 ± 0.012° |
| γ | 80.411 ± 0.012° |
| Cell volume | 813.1 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.0964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181269 (current) | 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 2/23/47. |
2234742.cif 2234742.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. |
2234742.cif 2234742.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234742.cif 2234742.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234742.cif 2234742.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234742.cif 2234742.hkl |
| 60240 | 2012-06-14 | cif/ Adding structures of 2234742 via cif-deposit CGI script. |
2234742.cif |
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Users of the data should acknowledge the original authors of the
structural data.