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Information card for entry 4319845
Preview
| Coordinates | 4319845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | As2 F16 Kr3 |
|---|---|
| Calculated formula | As2 F16 Kr3 |
| SMILES | [As]([F][Kr]F)(F)(F)(F)(F)F.[As](F)(F)(F)([F-])(F)F.[Kr](F)[F][Kr]F |
| Title of publication | X-ray Crystal Structures of α-KrF2, [KrF][MF6] (M = As, Sb, Bi), [Kr2F3][SbF6].KrF2, [Kr2F3]2[SbF6]2.KrF2, and [Kr2F3][AsF6].[KrF][AsF6]; Synthesis and Characterization of [Kr2F3][PF6].nKrF2; and Theoretical Studies of KrF2, KrF+, Kr2F3+, and the [KrF][MF6] (M = P, As, Sb, Bi) Ion Pairs |
| Authors of publication | John F. Lehmann; David A. Dixon; Gary J. Schrobilgen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 3002 - 3017 |
| a | 6.2474 ± 0.001 Å |
| b | 24.705 ± 0.004 Å |
| c | 8.8616 ± 0.0006 Å |
| α | 90° |
| β | 90.304 ± 0.006° |
| γ | 90° |
| Cell volume | 1367.7 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0914 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.0812 |
| Weighted residual factors for all reflections included in the refinement | 0.0936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179278 (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 4/31/98. |
4319845.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319845.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319845.cif |
| 16650 | 2011-03-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4319845 via cif-deposit CGI script. |
4319845.cif |
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