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Information card for entry 7005943
Preview
Coordinates | 7005943.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | dimethylsulfoxide,S-methylmalonate,O,O'-(1,4,7-tritiacyclononane,S,S',S'')- -ruthenium(II) potassium triflate |
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Formula | C13 H22 F3 K O8 Ru S5 |
Calculated formula | C13 H22 F3 K O8 Ru S5 |
SMILES | [Ru]123([S]4CC[S]1CC[S]2CC4)([S](=O)(C)C)OC(=O)C(C(=O)O3)C.S(=O)(=O)([O-])C(F)(F)F.[K+] |
Title of publication | Half-sandwich RuII-[9]aneS3 complexes with dicarboxylate ligands: synthesis, characterization and chemical behavior. |
Authors of publication | Bratsos, Ioannis; Birarda, Giovanni; Jedner, Stephanie; Zangrando, Ennio; Alessio, Enzo |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 36 |
Pages of publication | 4048 - 4058 |
a | 10.247 ± 0.003 Å |
b | 10.176 ± 0.003 Å |
c | 12.723 ± 0.004 Å |
α | 108.11 ± 0.02° |
β | 103.24 ± 0.03° |
γ | 101.69 ± 0.03° |
Cell volume | 1172.4 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0619 |
Residual factor for significantly intense reflections | 0.0502 |
Weighted residual factors for significantly intense reflections | 0.1427 |
Weighted residual factors for all reflections included in the refinement | 0.1484 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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