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Information card for entry 2022599
Preview
| Coordinates | 2022599.cif |
|---|---|
| Structure factors | 2022599.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-[2,6-Bis(1,8-naphthyridin-2-yl)pyridine-κ^3^'<i>N</i>,<i>N</i>',<i>N</i>'']bis(pyridine-κ<i>N</i>)(thiocyanato-κ<i>N</i>)ruthenium(II) thiocyanate |
|---|---|
| Formula | C33 H23 N9 Ru S2 |
| Calculated formula | C33 H23 N9 Ru S2 |
| SMILES | [Ru]12([n]3c4ncccc4ccc3c3[n]1c(ccc3)c1[n]2c2ncccc2cc1)([n]1ccccc1)([n]1ccccc1)N=C=S.[S-]C#N |
| Title of publication | Isolation and structural comparison of RuII-dnp complexes [dnp = 2,6-bis(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands |
| Authors of publication | Takase, Tsugiko; Yamanaka, Takashi; Tamura, Chihiro; Oyama, Dai |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 6 |
| a | 12.6556 ± 0.001 Å |
| b | 14.0986 ± 0.0007 Å |
| c | 17.4421 ± 0.0014 Å |
| α | 90° |
| β | 108.535 ± 0.003° |
| γ | 90° |
| Cell volume | 2950.7 ± 0.4 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0414 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0871 |
| Weighted residual factors for all reflections included in the refinement | 0.0907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275187 (current) | 2022-05-07 | cif/ hkl/ Adding structures of 2022598, 2022599 via cif-deposit CGI script. |
2022599.cif 2022599.hkl |
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