Information card for entry 4307254

Structure parameters

• Formula: C14 H21 N O Ru S2
• Calculated formula: C14 H21 N O Ru S2
• SMILES: [Ru]12345(SC(=[S]1)N(C)C)(C#[O])[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: 9.3769 ± 0.0005 Å
• b: 11.4486 ± 0.0006 Å
• c: 15.4189 ± 0.0009 Å
• α: 87.427 ± 0.001°
• β: 81.352 ± 0.001°
• γ: 86.416 ± 0.001°
• Cell volume: 1632.18 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No