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Information card for entry 7005470
Preview
| Coordinates | 7005470.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Dinitrosyl-bis[tris(hydroxymethyl)phoshine]iron(II) |
|---|---|
| Formula | C6 H18 Fe N2 O8 P2 |
| Calculated formula | C6 H18 Fe N2 O8 P2 |
| SMILES | [Fe]([P](CO)(CO)CO)([P](CO)(CO)CO)(N=O)N=O |
| Title of publication | Developing iron nitrosyl complexes as NO donor prodrugs. |
| Authors of publication | Dillinger, Sandra A. T.; Schmalle, Helmut W.; Fox, Thomas; Berke, Heinz |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 32 |
| Pages of publication | 3562 - 3571 |
| a | 6.8833 ± 0.0007 Å |
| b | 9.4457 ± 0.0009 Å |
| c | 11.4636 ± 0.001 Å |
| α | 89.368 ± 0.011° |
| β | 72.801 ± 0.011° |
| γ | 77.584 ± 0.011° |
| Cell volume | 694.25 ± 0.13 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0612 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1414 |
| Weighted residual factors for all reflections included in the refinement | 0.1539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| 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. |
7005470.cif |
| 179758 | 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 7/00/54. |
7005470.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005470.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005470.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005470.cif |
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Users of the data should acknowledge the original authors of the
structural data.