Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4308515
Preview
| Coordinates | 4308515.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tetraethylammonium dibromo nitrato tricarbonyl rhenate |
|---|---|
| Formula | C10 H20 Br2 N3 O6 Re |
| Calculated formula | C10 H20 Br2 N3 O6 Re |
| SMILES | [Re](Br)(Br)(ON(=O)=O)(N=O)(C#[O])C#[O].[N+](CC)(CC)(CC)CC |
| Title of publication | Syntheses and Characterization of Dicarbonyl-Nitrosyl Complexes of Technetium(I) and Rhenium(I) in Aqueous Media: Spectroscopic, Structural, and DFT Analyses |
| Authors of publication | Roger Schibli; Niklaus Marti; Patrick Maurer; Bernhard Spingler; Marie-Line Lehaire; Volker Gramlich; Charles L. Barnes |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 683 - 690 |
| a | 10.2054 ± 0.0005 Å |
| b | 12.5317 ± 0.0006 Å |
| c | 13.9781 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1787.67 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0327 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0505 |
| Weighted residual factors for all reflections included in the refinement | 0.0522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179123 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/85. |
4308515.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308515.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308515.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4308515.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.