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Information card for entry 4102049
Preview
| Coordinates | 4102049.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | As Br F12 Kr2 O |
|---|---|
| Calculated formula | As Br F12 Kr2 O |
| SMILES | [Br+](F)(F)=O.[Kr](F)F.[F-][As](F)(F)(F)(F)F.F[Kr]F |
| Title of publication | A Rare Example of a Krypton Difluoride Coordination Compound: [BrOF2][AsF6].2KrF2 |
| Authors of publication | David S. Brock; Jonathan J. Casalis de Pury; Hélène P. A. Mercier; Gary J. Schrobilgen; Bernard Silvi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 3533 - 3542 |
| a | 5.7166 ± 0.0006 Å |
| b | 13.6438 ± 0.0014 Å |
| c | 15.1053 ± 0.0015 Å |
| α | 90° |
| β | 111.446 ± 0.004° |
| γ | 90° |
| Cell volume | 1096.6 ± 0.2 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 | 0.086 |
| Residual factor for significantly intense reflections | 0.0693 |
| Weighted residual factors for significantly intense reflections | 0.1671 |
| Weighted residual factors for all reflections included in the refinement | 0.1715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.629 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211196 (current) | 2018-09-27 | cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries. |
4102049.cif |
| 178766 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/20. |
4102049.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4102049.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102049.cif |
| 24871 | 2011-09-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4102049 via cif-deposit CGI script. |
4102049.cif |
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Users of the data should acknowledge the original authors of the
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