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Information card for entry 1565172
Preview
Coordinates | 1565172.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H23 Br N4 O2 Ru |
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Calculated formula | C20 H23 Br N4 O2 Ru |
SMILES | Br[Ru]123456([c]7([cH]1[cH]2[c]3([cH]4[cH]57)C)C(C)C)c1cc(ccc1N1C=6N(C=N1)CC)N(=O)=O |
Title of publication | Electronically tuneable orthometalated RuII–NHC complexes as efficient catalysts for C–C and C–N bond formations via borrowing hydrogen strategy |
Authors of publication | Illam, Praseetha Mathoor; Rit, Arnab |
Journal of publication | Catalysis Science & Technology |
Year of publication | 2022 |
Journal volume | 12 |
Journal issue | 1 |
Pages of publication | 67 - 74 |
a | 7.918 ± 0.0002 Å |
b | 17.8 ± 0.0005 Å |
c | 14.7128 ± 0.0005 Å |
α | 90° |
β | 95.2089 ± 0.0014° |
γ | 90° |
Cell volume | 2065.06 ± 0.11 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.0407 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for significantly intense reflections | 0.0561 |
Weighted residual factors for all reflections included in the refinement | 0.06 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
272554 (current) | 2022-02-04 | cif/ Updating files of 1565172 Original log message: Adding full bibliography for 1565172.cif. |
1565172.cif |
270577 | 2021-11-11 | cif/ Adding structures of 1565172 via cif-deposit CGI script. |
1565172.cif |
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