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Information card for entry 7008297
Preview
| Coordinates | 7008297.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C11 H21 N2 O4 Re |
|---|---|
| Calculated formula | C11 H21 N2 O4 Re |
| SMILES | [Re](=O)(=O)(=O)[O-].[nH]1[nH+]c(cc1C(C)(C)C)C(C)(C)C |
| Title of publication | Rhenium oxo compounds containing eta2-pyrazolate ligands. |
| Authors of publication | Mosch-Zanetti, Nadia C; Sachse, Anna; Pfoh, Roland; Vidovic, Denis; Magull, Jorg |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2005 |
| Journal issue | 12 |
| Pages of publication | 2124 - 2129 |
| a | 9.7531 ± 0.0004 Å |
| b | 10.1836 ± 0.0005 Å |
| c | 15.4082 ± 0.0006 Å |
| α | 90° |
| β | 103.657 ± 0.003° |
| γ | 90° |
| Cell volume | 1487.1 ± 0.11 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0146 |
| Residual factor for significantly intense reflections | 0.0139 |
| Weighted residual factors for significantly intense reflections | 0.0318 |
| Weighted residual factors for all reflections included in the refinement | 0.0321 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7008297.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7008297.cif |
| 179786 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/82. |
7008297.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008297.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008297.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008297.cif |
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Users of the data should acknowledge the original authors of the
structural data.