Information card for entry 7000231

Structure parameters

• Formula: C14 H29 B10 Ir O2 S2
• Calculated formula: C14 H29 B10 Ir O2 S2
• SMILES: [Ir]12345(S[C]6789[B]%10%11%12([BH]%13%14%15[BH]%166%10[BH]6%107[B]7%178(OC)[BH]8%18%19[BH]%11%13([BH]%11%15%18[BH]%14%166[BH]%1078%11)[C]9%12%17%19S1)OC)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• 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: 11.403 ± 0.003 Å
• b: 14.648 ± 0.004 Å
• c: 13.756 ± 0.004 Å
• α: 90°
• β: 93.747 ± 0.004°
• γ: 90°
• Cell volume: 2292.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0341
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No