Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7247860
Preview
Coordinates | 7247860.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H36 Cl N O Ru |
---|---|
Calculated formula | C29 H36 Cl N O Ru |
SMILES | [Ru]123456(Cl)(Oc7c(C=[N]1c1c(C(C)C)cccc1C(C)C)cccc7)[cH]1[cH]4[c]3([cH]2[cH]6[c]51C)C(C)C |
Title of publication | A highly active and chemoselective homobimetallic ruthenium catalyst for one-pot reductive amination in water |
Authors of publication | Deshmukh, Gopal; Rana, Thakur Rochak Kumar; Yadav, Nikita; Rajaraman, Gopalan; Murugavel, Ramaswamy |
Journal of publication | Green Chemistry |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 3 |
Pages of publication | 1610 - 1626 |
a | 11.3984 ± 0.0001 Å |
b | 12.3026 ± 0.0001 Å |
c | 18.3366 ± 0.0002 Å |
α | 90° |
β | 99.351 ± 0.001° |
γ | 90° |
Cell volume | 2537.17 ± 0.04 Å3 |
Cell temperature | 104.5 ± 0.7 K |
Ambient diffraction temperature | 104.5 ± 0.7 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0221 |
Residual factor for significantly intense reflections | 0.0212 |
Weighted residual factors for significantly intense reflections | 0.0542 |
Weighted residual factors for all reflections included in the refinement | 0.0549 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
290224 (current) | 2024-03-04 | cif/ Updating files of 7247859, 7247860 Original log message: Adding full bibliography for 7247859--7247860.cif. |
7247860.cif |
288296 | 2023-12-14 | cif/ Adding structures of 7247859, 7247860 via cif-deposit CGI script. |
7247860.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.