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Information card for entry 4341319
Preview
| Coordinates | 4341319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (C6 F7 Xe) (B F4) (H2 F2) |
|---|---|
| Formula | C6 H2 B F13 Xe |
| Calculated formula | C6 H2 B F13 Xe |
| SMILES | [Xe](F)(F)c1c(F)c(F)c(F)c(F)c1F.[B](F)(F)(F)[F-].F.F |
| Title of publication | Xenon(IV)-Carbon Bond of [C6F5XeF2](+); Structural Characterization and Bonding of [C6F5XeF2][BF4], [C6F5XeF2][BF4]·2HF, and [C6F5XeF2][BF4]·nNCCH 3 (n = 1, 2); and the Fluorinating Properties of [C6F5XeF2][BF4]. |
| Authors of publication | Koppe, Karsten; Haner, Jamie; Mercier, Hélène P A; Frohn, Hermann-J; Schrobilgen, Gary J. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 21 |
| Pages of publication | 11640 - 11661 |
| a | 7.1022 ± 0.0002 Å |
| b | 19.5471 ± 0.0005 Å |
| c | 9.0812 ± 0.0002 Å |
| α | 90° |
| β | 109.966 ± 0.0012° |
| γ | 90° |
| Cell volume | 1184.94 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0439 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.0885 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.334 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179516 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/13. |
4341319.cif |
| 126942 | 2014-11-12 | cif/ Updating files of 4341317, 4341318, 4341319 Original log message: Adding full bibliography for 4341317--4341319.cif. |
4341319.cif |
| 125588 | 2014-10-21 | cif/ Adding structures of 4341317, 4341318, 4341319 via cif-deposit CGI script. |
4341319.cif |
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Users of the data should acknowledge the original authors of the
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