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Information card for entry 2108541
Preview
| Coordinates | 2108541.cif |
|---|---|
| Structure factors | 2108541.hkl |
| Original paper (by DOI) | HTML |
| Formula | F7 H12 N5 O Ru Si |
|---|---|
| Calculated formula | F7 H12 N5 O Ru Si |
| SMILES | [Si](F)(F)(F)(F)([F-])[F-].[Ru]([NH3])(F)([NH3])(N=O)([NH3])[NH3] |
| Title of publication | Combining photoinduced linkage isomerism and nonlinear optical properties in ruthenium nitrosyl complexes |
| Authors of publication | Mikhailov, Artem; Vuković, Vedran; Kijatkin, Christian; Wenger, Emmanuel; Imlau, Mirco; Woike, Theo; Kostin, Gennadiy; Schaniel, Dominik |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| a | 6.7036 ± 0.0004 Å |
| b | 7.426 ± 0.0004 Å |
| c | 10.1296 ± 0.0007 Å |
| α | 90° |
| β | 107.469 ± 0.006° |
| γ | 90° |
| Cell volume | 481 ± 0.05 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0237 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.0472 |
| Weighted residual factors for all reflections included in the refinement | 0.0488 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0232 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231195 (current) | 2019-11-22 | cif/ hkl/ Adding structures of 2108541 via cif-deposit CGI script. |
2108541.cif 2108541.hkl |
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Users of the data should acknowledge the original authors of the
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