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Information card for entry 4338312
Preview
| Coordinates | 4338312.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Tetrammine(fluorido)nitrosyltechnetium(I) bifluoride x 1/2 RbF |
|---|---|
| Formula | F7 H26 N10 O2 Rb Tc2 |
| Calculated formula | F7 H26 N10 O2 Rb Tc2 |
| SMILES | F[Tc](N=O)([NH3])([NH3])([NH3])[NH3].[F][H][F].[F-].[Rb+].[NH3][Tc]([NH3])(F)(N=O)([NH3])[NH3].[F][H][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 | 16.454 ± 0.002 Å |
| b | 16.454 ± 0.002 Å |
| c | 6.938 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1878.4 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 87 |
| Hermann-Mauguin space group symbol | I 4/m |
| Hall space group symbol | -I 4 |
| Residual factor for all reflections | 0.0922 |
| Residual factor for significantly intense reflections | 0.0797 |
| Weighted residual factors for significantly intense reflections | 0.2114 |
| Weighted residual factors for all reflections included in the refinement | 0.2237 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270074 (current) | 2021-10-24 | cif/4 Fixing Z values and formulae |
4338312.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4338312.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. |
4338312.cif |
| 112933 | 2014-05-07 | cif/ Adding structures of 4338309, 4338310, 4338311, 4338312, 4338313, 4338314, 4338315, 4338316 via cif-deposit CGI script. |
4338312.cif |
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