Information card for entry 1100761

Structure parameters

• Formula: C20 H20 Ru4 Se6
• Calculated formula: C20 H20 Ru4 Se6
• SMILES: [Ru]1234567([Ru]89%10%11%12%13([Se]2[Se][Ru]2%14%15%16%17%18([Ru]%19%20%21%22([Se]12)([Se]38)([Se]%14[Se]9)[cH]1[cH]%19[cH]%20[cH]%21[cH]%221)[cH]1[cH]%15[cH]%16[cH]%17[cH]%181)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[cH]1[cH]4[cH]5[cH]6[cH]71
• Title of publication: Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates
• Authors of publication: Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3441 - 3448
• a: 12.401 ± 0.003 Å
• b: 13.607 ± 0.003 Å
• c: 14.801 ± 0.003 Å
• α: 90°
• β: 110.628 ± 0.003°
• γ: 90°
• Cell volume: 2337.4 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.054
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No