Information card for entry 4317210

Structure parameters

• Formula: C28 H74 B40 O4 Ru4 S8
• Calculated formula: C28 H74 B40 O4 Ru4 S8
• SMILES: [B]12345[BH]678[BH]9%10%11[BH]%12%13%14[C]%15%163([BH]3%171[BH]126[BH]279[BH]6%11%13[BH]%14%163[BH]%17126)[C]48%10%12[S]1[Ru]234678([c]9([cH]2[cH]3[c]4([cH]6[cH]89)C(C)C)C)[S]%15[Ru]23451[S]7[C]1567[C]89%10([S]2[Ru]2%11%12%134[B]4%14%15%16[BH]%17%18%19[BH]%20%21%22[BH]%23%24%25[C]%26%27%15([BH]%15%284[BH]4%14%17[BH]%14%18%20[BH]%17%22%24[BH]%25%27%15[BH]%284%14%17)[C]%16%19%21%23[S]%11[Ru]4%11%14%15%16([c]%17([cH]4[cH]%11[c]%14([cH]%15[cH]%16%17)C(C)C)C)([S]2%26)[S]%12[C]24%11%12[C]%14%15%16([S]3%13)[BH]3%132[BH]2%174[BH]4%18%11[BH]%11%12%14[BH]%12%14%18[BH]%18%174[BH]4%132[BH]2%153[BH]%16%11%12[BH]%14%1842)[BH]231[BH]145[BH]5%116[BH]678[BH]78%11[BH]%1145[BH]431[BH]192[BH]%1067[BH]8%1141.O.O.O.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: 29.373 ± 0.004 Å
• b: 16.587 ± 0.002 Å
• c: 18.476 ± 0.005 Å
• α: 90°
• β: 128.025 ± 0.001°
• γ: 90°
• Cell volume: 7091 ± 2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.1021
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No