Information card for entry 7000234

Structure parameters

• Formula: C21 H39 B9 Cl2 Co Ru S2
• Calculated formula: C21 H39 B9 Cl2 Co Ru S2
• SMILES: [Ru]123456([Co]789%10%11([S]1[C]1%12%13[BH]%14%15%16[BH]%17%18%19[BH]%2031%14[BH]13%17[BH]%14%17%18[BH]%18%15%19[BH2]%17([BH]1%14[C]%13%203[S]27)[BH]%12%16%18)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[CH]1=[CH]4CC[CH]5=[CH]6CC1.C(Cl)Cl
• Title of publication: Synthesis and characterization of heterometallic M‒Ru (M = Co, Rh, Ir) clusters containing the nido-dicarborane-1,2-dithiolato chelating ligand
• Authors of publication: Zhang, Jia-Sheng; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 111 - 118
• a: 10.965 ± 0.005 Å
• b: 15.267 ± 0.007 Å
• c: 18.019 ± 0.009 Å
• α: 90°
• β: 90 ± 0.007°
• γ: 90°
• Cell volume: 3016 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0754
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No