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Information card for entry 7710125
Preview
| Coordinates | 7710125.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H23 Cl N4 O2 Ru |
|---|---|
| Calculated formula | C19 H23 Cl N4 O2 Ru |
| SMILES | [Ru]123456(Cl)(N7C(N8C=1N(C=C8)C)=CC(=O)N(C)C7=O)[c]1([cH]4[cH]3[c]2([cH]5[cH]61)C)C(C)C |
| Title of publication | Water‐soluble and reusable Ru–NHC catalyst for aqueous‐phase transfer hydrogenation of quinolines with formic acid |
| Authors of publication | Maji, Babulal; Bhandari, Anirban; Sadhukhan, Rayantan; Choudhury, Joyanta |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 14.6419 ± 0.0012 Å |
| b | 13.5577 ± 0.0009 Å |
| c | 19.6678 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3904.3 ± 0.5 Å3 |
| Cell temperature | 140 K |
| Ambient diffraction temperature | 140 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0242 |
| Residual factor for significantly intense reflections | 0.0219 |
| Weighted residual factors for significantly intense reflections | 0.0507 |
| Weighted residual factors for all reflections included in the refinement | 0.0523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274702 (current) | 2022-04-27 | cif/ Adding structures of 7710124, 7710125 via cif-deposit CGI script. |
7710125.cif |
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