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Information card for entry 7060039
Preview
| Coordinates | 7060039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H24 Cl N9 O7 Ru |
|---|---|
| Calculated formula | C25 H24 Cl N9 O7 Ru |
| SMILES | [Ru]123([n]4c(c5[n]3cccc5)nc(nc4c3[n]2cccc3)N(C)C)([n]2c(c3[n]1cccc3)cccc2)N(=O)=O.Cl(=O)(=O)(=O)[O-].O |
| Title of publication | Ruthenium nitrosyl complexes with the molecular framework [RuII(dmdptz)(bpy)(NO)]n+ (dmdptz: N,N-dimethyl-4,6-di(pyridin-2-yl)-1,3,5-triazin-2-amine and bpy: 2,2′-bipyridine). Electronic structure, reactivity aspects, photorelease, and scavenging of NO |
| Authors of publication | Giri, Bishnubasu; Kumbhakar, Sadananda; Selvan K, Kalai; Muley, Arabinda; Maji, Somnath |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 43 |
| Pages of publication | 18732 - 18744 |
| a | 16.07395 ± 0.00018 Å |
| b | 16.71663 ± 0.00017 Å |
| c | 20.7947 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5587.58 ± 0.1 Å3 |
| Cell temperature | 290 K |
| Ambient diffraction temperature | 290 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0413 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.1037 |
| Weighted residual factors for all reflections included in the refinement | 0.1078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298703 (current) | 2025-04-03 | cif/7: Fixing Z values and formulae |
7060039.cif |
| 259614 | 2020-12-06 | cif/ Updating files of 7060037, 7060038, 7060039 Original log message: Adding full bibliography for 7060037--7060039.cif. |
7060039.cif |
| 258324 | 2020-10-13 | cif/ Adding structures of 7060037, 7060038, 7060039 via cif-deposit CGI script. |
7060039.cif |
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