Information card for entry 2207246

Structure parameters

• Chemical name: mer-trichloro(dimethyl sulfoxide-κS)(-1,10-phenanthroline)ruthenium(III) chloroform solvate
• Formula: C15 H15 Cl6 N2 O Ru S
• Calculated formula: C15 H15 Cl6 N2 O Ru S
• SMILES: [Ru]1(Cl)(Cl)(Cl)([S](=O)(C)C)[n]2cccc3ccc4ccc[n]1c4c23.ClC(Cl)Cl
• Title of publication: Non-merohedrally twinned <i>mer</i>-trichloro(dimethyl sulfoxide-κ<i>S</i>)(1,10-phenanthroline)ruthenium(III) chloroform solvate, with <i>Z</i>' = 6
• Authors of publication: Spek, Anthony L.; Tooke, Duncan M.; Garza-Ortiz, Ariadna; Reedijk, Jan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2428 - m2430
• a: 13.8023 ± 0.0016 Å
• b: 19.731 ± 0.003 Å
• c: 25.597 ± 0.003 Å
• α: 75.823 ± 0.009°
• β: 74.676 ± 0.01°
• γ: 69.907 ± 0.008°
• Cell volume: 6221.8 ± 1.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0786
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes