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Information card for entry 4304405
Preview
| Coordinates | 4304405.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [ReO3(tpzm*)] |
|---|---|
| Chemical name | (Tris((3,5-dimethyl)pyrazol-1-yl)methan)-trioxo-rhenium(VII) perrhenat |
| Formula | C16 H22 N6 O7 Re2 |
| Calculated formula | C16 H22 N6 O7 Re2 |
| SMILES | [Re]12([n]3c(cc(C)n3C(n3c(C)cc(C)[n]13)n1c(C)cc(C)[n]21)C)(=O)(=O)=O.[Re](=O)(=O)(=O)[O-] |
| Title of publication | High-Valent Technetium Complexes with the [99TcO3]+ Core from in Situ Prepared Mixed Anhydrides of [99TcO4]- and Their Reactivities |
| Authors of publication | Yuji Tooyama; Henrik Braband; Bernhard Spingler; Ulrich Abram; Roger Alberto |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 257 - 264 |
| a | 15.2111 ± 0.0002 Å |
| b | 12.8651 ± 0.0002 Å |
| c | 22.0324 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4311.57 ± 0.11 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0643 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0522 |
| Weighted residual factors for all reflections included in the refinement | 0.0836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.191 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4304405.cif |
| 179082 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/44. |
4304405.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304405.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304405.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304405.cif |
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