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Information card for entry 4338309
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| Coordinates | 4338309.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Dipotassium pentafluoronitrosyltechnetate(II)monohydrate |
|---|---|
| Chemical name | Dipotassium pentafluoronitrosyltechnetate(II) monohydrate |
| Formula | F5 K2 N O2 Tc |
| Calculated formula | F5 K2 N O2 Tc |
| SMILES | F[Tc](F)(N=O)(F)(F)F.[K+].[K+].O |
| Title of publication | Fluoridonitrosyl Complexes of Technetium(I) and Technetium(II). Synthesis, Characterization, Reactions, and DFT Calculations. |
| Authors of publication | Balasekaran, Samundeeswari Mariappan; Spandl, Johann; Hagenbach, Adelheid; Köhler, Klaus; Drees, Markus; Abram, Ulrich |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 10 |
| Pages of publication | 5117 - 5128 |
| a | 6.203 ± 0.001 Å |
| b | 18.654 ± 0.004 Å |
| c | 6.301 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 729.1 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0677 |
| Residual factor for significantly intense reflections | 0.0636 |
| Weighted residual factors for significantly intense reflections | 0.1784 |
| Weighted residual factors for all reflections included in the refinement | 0.1855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179486 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/83. |
4338309.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4338309.cif |
| 115686 | 2014-06-05 | cif/ Updating files of 4338309, 4338310, 4338311, 4338312, 4338313, 4338314, 4338315, 4338316 Original log message: Adding full bibliography for 4338309--4338316.cif. |
4338309.cif |
| 112933 | 2014-05-07 | cif/ Adding structures of 4338309, 4338310, 4338311, 4338312, 4338313, 4338314, 4338315, 4338316 via cif-deposit CGI script. |
4338309.cif |
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