Information card for entry 7027614

Structure parameters

• Formula: C22 H26 Cl I N4 O3 Ru S
• Calculated formula: C22 H22 Cl I N4 O3 Ru S
• SMILES: [Ru]12([S](=O)(C)C)(Cl)([n]3ccccc3c3cccc[n]13)[n]1ccccc1c1cccc[n]21.[I-].O.O
• Title of publication: Preparation and structural elucidation of novel cis ruthenium(II) bis(bipyridine) sulfoxide complexes †
• Authors of publication: Hesek, Dusan; Inoue, Yoshihisa; Everitt, Simon R. L.; Ishida, Hitoshi; Kunieda, Mieko; Drew, Michael G. B.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 21
• Pages of publication: 3701
• a: 8.171 ± 0.0017 Å
• b: 10.372 ± 0.003 Å
• c: 16.133 ± 0.003 Å
• α: 79.83 ± 0.02°
• β: 76.82 ± 0.018°
• γ: 72.49 ± 0.015°
• Cell volume: 1261 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No