Information card for entry 4307249

Structure parameters

• Formula: C14 H21 N O Ru S4
• Calculated formula: C14 H21 N O Ru S4
• SMILES: [Ru]123456(SC(=[S]1)N(C)C)(SC(=O)S2)[c]1(C)[c]3(C)[c]4([c]5(C)[c]61C)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: 8.8077 ± 0.0003 Å
• b: 24.5807 ± 0.001 Å
• c: 8.8818 ± 0.0004 Å
• α: 90°
• β: 113.711 ± 0.001°
• γ: 90°
• Cell volume: 1760.58 ± 0.12 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No