Information card for entry 4317211

Structure parameters

• Formula: C26 H54 B20 Cl O Ru3 S8
• Calculated formula: C26 H54 B20 Cl O Ru3 S8
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%171([BH]125[BH]268[BH]9%11%14[BH]%15%1712)[C]14%13%16[C]37%10%12S[Ru]234567([c]8([cH]2[cH]3[c]4([cH]5[cH]68)C(C)C)C)[S]1[Ru]1234(S[C]5689[BH]%10%11%12[BH]%13%14%15[BH]%16%17%10[BH]%105%11[BH]5%11%17[BH]%17%14%16[BH]%14%16%13[BH]%138([BH]6%105[BH]%11%17%14%13)[C]9%12%15%16[S]1[Ru]15689%10([c]%11([cH]1[cH]5[c]6([cH]8[cH]9%11)C(C)C)C)[S]3[S]4%10)[S]7[S]2Cl.C(C)O
• Title of publication: Controlled Assembly of Ruthenium Complexes through ortho-Carborane Dithiolate and Polysulfide Ligands
• Authors of publication: Jiurong Hu; Guifeng Liu; Qibai Jiang; Rui Zhang; Wei Huang; Hong Yan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11199 - 11204
• a: 25.435 ± 0.002 Å
• b: 11.2199 ± 0.001 Å
• c: 16.787 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4790.6 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No