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Information card for entry 4316066
Preview
| Coordinates | 4316066.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (F2 O Br)(F6 As)(F2 Xe)(F2 Xe) |
|---|---|
| Formula | As Br F12 O Xe2 |
| Calculated formula | As Br F12 O Xe2 |
| SMILES | [Xe](F)F.[Xe](F)[F][Br](F)(F)=O.[As](F)(F)(F)(F)(F)[F-] |
| Title of publication | XeF2 Coordination to a Halogen Center; Raman Spectra (n= 1, 2) and X-ray Crystal Structures (n= 2) of [BrOF2][AsF6].nXeF2 and [XOF2][AsF6] (X = Cl, Br) |
| Authors of publication | David S. Brock; Jonathan J. Casalis de Pury; Hélène P. A. Mercier; Gary J. Schrobilgen; Bernard Silvi |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 6673 - 6689 |
| a | 5.9282 ± 0.0003 Å |
| b | 13.9789 ± 0.0008 Å |
| c | 15.3983 ± 0.0009 Å |
| α | 90° |
| β | 111.859 ± 0.002° |
| γ | 90° |
| Cell volume | 1184.31 ± 0.12 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.0505 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.853 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179240 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/60. |
4316066.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316066.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316066.cif |
| 9241 | 2011-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4316066 via cif-deposit CGI script. |
4316066.cif |
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Users of the data should acknowledge the original authors of the
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