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Information card for entry 1564048
Preview
Coordinates | 1564048.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H50 Cl4 N4 Ru2 |
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Calculated formula | C34 H50 Cl4 N4 Ru2 |
SMILES | [c]12([c]3([c]4([c]5([c]6([c]1(C)[Ru]23456([n]1c(c(c2c(C)[n]([nH]c2C)[Ru]23456([c]7([c]2([c]3([c]4([c]5([c]67C)C)C)C)C)C)(Cl)Cl)c(C)[nH]1)C)(Cl)Cl)C)C)C)C)C |
Title of publication | Binuclear 3,3′,5,5′-tetramethyl-1H,H-4,4′-bipyrazole Ruthenium(II) complexes: Synthesis, characterization and biological studies |
Authors of publication | Pettinari, Claudio; Pettinari, Riccardo; Xhaferai, Nertil; Giambastiani, Giuliano; Rossin, Andrea; Bonfili, Laura; Maria Eleuteri, Anna; Cuccioloni, Massimiliano |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2020 |
Journal volume | 513 |
Pages of publication | 119902 |
a | 16.868 ± 0.014 Å |
b | 8.211 ± 0.007 Å |
c | 26.122 ± 0.002 Å |
α | 90° |
β | 103.88 ± 0.009° |
γ | 90° |
Cell volume | 3512 ± 4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0431 |
Residual factor for significantly intense reflections | 0.0351 |
Weighted residual factors for significantly intense reflections | 0.0849 |
Weighted residual factors for all reflections included in the refinement | 0.0915 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
267383 (current) | 2021-07-08 | cif/ Adding structures of 1564048 via cif-deposit CGI script. |
1564048.cif |
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Users of the data should acknowledge the original authors of the
structural data.