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Information card for entry 7027111
Preview
Coordinates | 7027111.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H43 Cl3 N12 O13 Ru2 S2 |
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Calculated formula | C57 H41 Cl3 N12 O13 Ru2 S2 |
SMILES | [Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1c2ccccc2sc1c1n3[n]2[Ru]34([n]5c(c6[n]3cccc6)cccc5)([n]3ccccc3c3[n]4cccc3)[n]3c(sc4ccccc34)c2c1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[O] |
Title of publication | Synthesis, structure, redox activity and spectroscopic properties of ruthenium(II) complexes with 3,5-bis(benzothiazol-2-yl)pyrazole, 3,5-bis(benzimidazol-2-yl)pyrazole and 2,2′-bipyridine as co-ligands |
Authors of publication | Baitalik, Sujoy; Flörke, Ulrich; Nag, Kamalaksha |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 5 |
Pages of publication | 719 |
a | 11.489 ± 0.005 Å |
b | 41.653 ± 0.02 Å |
c | 13.086 ± 0.004 Å |
α | 90° |
β | 91.6 ± 0.02° |
γ | 90° |
Cell volume | 6260 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.2109 |
Residual factor for significantly intense reflections | 0.1073 |
Weighted residual factors for significantly intense reflections | 0.2883 |
Weighted residual factors for all reflections included in the refinement | 0.3827 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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