Information card for entry 4307253

Structure parameters

• Formula: C32 H37 O P Ru S2
• Calculated formula: C32 H37 O P Ru S2
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([S]=C(S1)OC(C)C)[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: 14.6555 ± 0.0002 Å
• b: 11.1636 ± 0.0002 Å
• c: 18.7075 ± 0.0003 Å
• α: 90°
• β: 101.676 ± 0.001°
• γ: 90°
• Cell volume: 2997.37 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0505
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No