Information card for entry 4317208

Structure parameters

• Formula: C24 H48 B20 Ru3 S10
• Calculated formula: C24 H48 B20 Ru3 S10
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%158[BH]8%16%11[BH]%111([BH]125[BH]69%14[BH]%158%111)[C]14%13%16[C]37%10%12S[Ru]234567([c]8(C(C)C)[cH]2[cH]3[c]4([cH]5[cH]68)C)[S]1[Ru]1234[S]([C]5689[BH]%10%11%12[BH]%13%14%15[BH]%16%17%18[BH]%195([BH]5%206[BH]68%10[BH]8%11%13[BH]%10%14%16[BH]%17%195[BH]%2068%10)[C]9%12%15%18S4)[Ru]45689([c]%10([cH]4[cH]5[c]6([cH]8[cH]9%10)C(C)C)C)([S]2SS[S]73)SS1
• 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: 26.7945 ± 0.0018 Å
• b: 26.7945 ± 0.0018 Å
• c: 14.3185 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10279.9 ± 1.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No