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Information card for entry 4319844
Preview
| Coordinates | 4319844.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | F11 Kr3 Sb |
|---|---|
| Calculated formula | F11 Kr3 Sb |
| SMILES | [Sb](F)(F)(F)(F)(F)[F-].[Kr](F)F.[Kr]([F][Kr]F)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 | 8.032 ± 0.003 Å |
| b | 8.559 ± 0.004 Å |
| c | 8.948 ± 0.004 Å |
| α | 69.659 ± 0.009° |
| β | 63.754 ± 0.01° |
| γ | 82.595 ± 0.011° |
| Cell volume | 517.1 ± 0.4 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0483 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1011 |
| Weighted residual factors for all reflections included in the refinement | 0.1039 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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. |
4319844.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319844.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319844.cif |
| 16649 | 2011-03-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4319844 via cif-deposit CGI script. |
4319844.cif |
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Users of the data should acknowledge the original authors of the
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