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Information card for entry 2022598
Preview
| Coordinates | 2022598.cif |
|---|---|
| Structure factors | 2022598.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-Aqua[2,6-bis(1,8-naphthyridin-2-yl)pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](thiocyanato-κ<i>N</i>)(triphenylphosphine-κ<i>P</i>)ruthenium(II) hexafluoridophosphate–acetone–water (1/0.5/1) |
|---|---|
| Formula | C41.5 H35 F6 N6 O2.5 P2 Ru S |
| Calculated formula | C41.5 H31 F6 N6 O2.5 P2 Ru S |
| 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 | 9.3699 ± 0.0002 Å |
| b | 15.3897 ± 0.0004 Å |
| c | 16.0267 ± 0.0004 Å |
| α | 92.6869 ± 0.0009° |
| β | 105.154 ± 0.0008° |
| γ | 100.015 ± 0.0007° |
| Cell volume | 2186.3 ± 0.09 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0596 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1589 |
| Weighted residual factors for all reflections included in the refinement | 0.1689 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275187 (current) | 2022-05-07 | cif/ hkl/ Adding structures of 2022598, 2022599 via cif-deposit CGI script. |
2022598.cif 2022598.hkl |
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Users of the data should acknowledge the original authors of the
structural data.