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Information card for entry 4321663
Preview
| Coordinates | 4321663.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C6 H20 F6 N8 O6 Ru Si |
|---|---|
| Calculated formula | C6 H20 F6 N8 O6 Ru Si |
| SMILES | [Ru]([NH3])([NH3])(N=O)([n]1cccc(C(=O)N)c1)([NH3])[NH3].O.[Si](F)(F)(F)(F)([F-])[F-].O=N(=O)[O-] |
| Title of publication | On the Photochemical Behavior of the [Ru(NH3)4(NO)nicotinamide]3+ Cation and the Relative Stability of Light-Induced Metastable Isonitrosyl Isomers of Ru Complexes |
| Authors of publication | Christopher Kim; Irina Novozhilova; M. Scott Goodman; Kimberly A. Bagley; Philip Coppens |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 5791 - 5795 |
| a | 12.264 ± 0.003 Å |
| b | 9.2147 ± 0.0018 Å |
| c | 15.339 ± 0.003 Å |
| α | 90° |
| β | 90.5 ± 0.03° |
| γ | 90° |
| Cell volume | 1733.4 ± 0.6 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0289 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.0619 |
| Weighted residual factors for all reflections included in the refinement | 0.0638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4321663.cif |
| 179319 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/16. |
4321663.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321663.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321663.cif |
| 19427 | 2011-05-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4321663 via cif-deposit CGI script. |
4321663.cif |
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