Information card for entry 4307248

Structure parameters

• Formula: C20 H33 Cl7 N2 Ru S4
• Calculated formula: C20 H33 Cl7 N2 Ru S4
• SMILES: [Ru]123456(SC(=[S]1)N(CC)CC)([S]=C(S2)N(C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.[Cl-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 11.1679 ± 0.0004 Å
• b: 12.8682 ± 0.0005 Å
• c: 13.0374 ± 0.0005 Å
• α: 64.5 ± 0.001°
• β: 78.267 ± 0.001°
• γ: 80.564 ± 0.001°
• Cell volume: 1649.56 ± 0.11 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: 0.0471
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No