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Information card for entry 2018490
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| Coordinates | 2018490.cif |
|---|---|
| Structure factors | 2018490.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-hydrogen-bis[tris(4-fluorophenyl)phosphane oxide] triiodide |
|---|---|
| Formula | C36 H25 F6 I3 O2 P2 |
| Calculated formula | C36 H25 F6 I3 O2 P2 |
| Title of publication | Hydrogen bis[tris(4-fluorophenyl)phosphane oxide] triiodide |
| Authors of publication | Haghjoo, Farhad; Barnes, Nicholas A.; Pritchard, Robin; Godfrey, Stephen M.; Ratcliffe, Shane |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | o216 - o219 |
| a | 13.2153 ± 0.0004 Å |
| b | 15.9752 ± 0.0006 Å |
| c | 18.5695 ± 0.0006 Å |
| α | 90° |
| β | 108.818 ± 0.002° |
| γ | 90° |
| Cell volume | 3710.8 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0691 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for all reflections included in the refinement | 0.1313 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180853 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/84. |
2018490.cif 2018490.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018490.cif 2018490.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018490.cif 2018490.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. | 2018490.cif 2018490.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018490.cif 2018490.hkl |
| 61591 | 2012-07-05 | cif/ Adding structures of 2018490 via cif-deposit CGI script. |
2018490.cif |
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Users of the data should acknowledge the original authors of the
structural data.