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Information card for entry 4341317
Preview
| Coordinates | 4341317.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H4.5 B F11 N1.5 Xe |
|---|---|
| Calculated formula | C9 H4.5 B F11 N1.5 Xe |
| SMILES | [B](F)(F)(F)[F-].c1(c(c(c(c(c1F)F)F)F)F)[Xe](F)F.C(#N)C.C(#N)C |
| 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 | 12.752 ± 0.005 Å |
| b | 23.52 ± 0.005 Å |
| c | 19.398 ± 0.005 Å |
| α | 90° |
| β | 103.213 ± 0.005° |
| γ | 90° |
| Cell volume | 5664 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0849 |
| Weighted residual factors for all reflections included in the refinement | 0.0897 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264242 (current) | 2021-04-16 | cif/4 Fixing some Z values and formulae |
4341317.cif |
| 211196 | 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. |
4341317.cif |
| 179516 | 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. |
4341317.cif |
| 126942 | 2014-11-12 | cif/ Updating files of 4341317, 4341318, 4341319 Original log message: Adding full bibliography for 4341317--4341319.cif. |
4341317.cif |
| 125588 | 2014-10-21 | cif/ Adding structures of 4341317, 4341318, 4341319 via cif-deposit CGI script. |
4341317.cif |
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