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Information card for entry 4338311
Preview
| Coordinates | 4338311.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Tetrammine(fluorido)nitrosyltechnetium(I) hexafluorophosphate x 1/2 KPF6 |
|---|---|
| Formula | F20 H24 K N10 O2 P3 Tc2 |
| Calculated formula | F20 H24 K N10 O2 P3 Tc2 |
| SMILES | F[Tc](N=O)([NH3])([NH3])([NH3])[NH3].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[K+].F[Tc](N=O)([NH3])([NH3])([NH3])[NH3].[P](F)(F)(F)(F)(F)[F-] |
| 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 | 12.304 ± 0.001 Å |
| b | 12.304 ± 0.001 Å |
| c | 8.488 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1285 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 83 |
| Hermann-Mauguin space group symbol | P 4/m |
| Hall space group symbol | -P 4 |
| Residual factor for all reflections | 0.0449 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.1067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| 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. |
4338311.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. |
4338311.cif |
| 112933 | 2014-05-07 | cif/ Adding structures of 4338309, 4338310, 4338311, 4338312, 4338313, 4338314, 4338315, 4338316 via cif-deposit CGI script. |
4338311.cif |
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