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Information card for entry 7710124
Preview
| Coordinates | 7710124.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H27 Cl N4 O3 Ru |
|---|---|
| Calculated formula | C20 H27 Cl N4 O3 Ru |
| SMILES | [Ru]123456(Cl)(N7C(=O)N(C)C(=O)C=C7n7c1c[n+](c7C)C)[cH]1[cH]2[c]5([cH]3[cH]4[c]61C)C(C)C.O |
| 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 | 15.331 ± 0.0012 Å |
| b | 11.0698 ± 0.0009 Å |
| c | 13.6313 ± 0.001 Å |
| α | 90° |
| β | 115.519 ± 0.003° |
| γ | 90° |
| Cell volume | 2087.7 ± 0.3 Å3 |
| Cell temperature | 140 K |
| Ambient diffraction temperature | 140 K |
| Number of distinct elements | 6 |
| 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 | 0.1275 |
| Residual factor for significantly intense reflections | 0.0719 |
| Weighted residual factors for significantly intense reflections | 0.1218 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0807 |
| 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. |
7710124.cif |
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