Information card for entry 4307250

Structure parameters

• Formula: C16 H25 N O Ru S4
• Calculated formula: C16 H25 N O Ru S4
• SMILES: [Ru]123456(SC(=[S]1)N(CC)CC)(SC(=O)S2)[c]1([c]3([c]4([c]5([c]61C)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: 15.5154 ± 0.0006 Å
• b: 29.6852 ± 0.0012 Å
• c: 10.0847 ± 0.0004 Å
• α: 90°
• β: 122.352 ± 0.001°
• γ: 90°
• Cell volume: 3923.8 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No