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Information card for entry 4080918
Preview
Coordinates | 4080918.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H21 Cl F6 N3 P Ru Se |
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Calculated formula | C22 H21 Cl F6 N3 P Ru Se |
SMILES | c1cccc([Se]2[Ru]34567(Cl)([cH]8[cH]3[cH]5[cH]6[cH]7[cH]48)[n]3c(C2)cn(n3)Cc2ccccc2)c1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Half-Sandwich Ruthenium(II) Complexes of Click Generated 1,2,3-Triazole Based Organosulfur/-selenium Ligands: Structural and Donor Site Dependent Catalytic Oxidation and Transfer Hydrogenation Aspects |
Authors of publication | Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Mukherjee, Goutam; Singh, Ajai K. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 13 |
Pages of publication | 3595 |
a | 11.52 ± 0.03 Å |
b | 19.65 ± 0.05 Å |
c | 22.37 ± 0.05 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5064 ± 2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 8 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0492 |
Residual factor for significantly intense reflections | 0.0341 |
Weighted residual factors for significantly intense reflections | 0.081 |
Weighted residual factors for all reflections included in the refinement | 0.0849 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4080918.html
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