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Information card for entry 1553961
Preview
Coordinates | 1553961.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H28 Cl F6 N4 P Ru |
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Calculated formula | C22 H28 Cl F6 N4 P Ru |
SMILES | [Ru]123456(Cl)([cH]7[cH]2[c]4(C)[cH]5[cH]6[c]37C(C)C)[n]2c(NC)cccc2c2[n]1c(NC)ccc2.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | ortho-Amino group functionalized 2,2′-bipyridine based Ru(ii) complex catalysed alkylation of secondary alcohols, nitriles and amines using alcohols |
Authors of publication | Roy, Bivas Chandra; Debnath, Subhankar; Chakrabarti, Kaushik; Paul, Bhaskar; Maji, Milan; Kundu, Sabuj |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2018 |
Journal volume | 5 |
Journal issue | 6 |
Pages of publication | 1008 |
a | 24.447 ± 0.006 Å |
b | 12.95 ± 0.003 Å |
c | 7.9 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2501.1 ± 1 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 7 |
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 | 0.0411 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.082 |
Weighted residual factors for all reflections included in the refinement | 0.0865 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1553961.html
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