Information card for entry 4307245

Structure parameters

• Formula: C13 H21 Cl2 N Ru S2
• Calculated formula: C13 H21 Cl2 N Ru S2
• SMILES: [Ru]12345(SC(=[S]1)N(C)C)(Cl)(Cl)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Synthetic and X-ray Structural and Reactivity Studies of Cp*RuIV Complexes Containing Bidentate Dithiocarbonate, Xanthate, Carbonate, and Phosphinate Ligands (Cp* = η5-C5Me5)
• Authors of publication: Elaine Phuay Leng Tay; Seah Ling Kuan; Weng Kee Leong; Lai Yoong Goh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1440 - 1450
• a: 8.6825 ± 0.0005 Å
• b: 11.6053 ± 0.0007 Å
• c: 17.119 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1724.96 ± 0.18 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No