Information card for entry 7000232

Structure parameters

• Formula: C13 H27 B10 Ir O S2
• Calculated formula: C13 H27 B10 Ir O S2
• SMILES: [Ir]12345(S[C]6789[C]%10%11%12(S1)[B]1%136(OC)[BH]6%147[BH]7%158[BH]89%10[BH]9%10%15[BH]%15%147[BH]7%136[BH]6%111[BH]%1289[BH]%10%1576)[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: 13.495 ± 0.017 Å
• b: 15.357 ± 0.02 Å
• c: 21.68 ± 0.03 Å
• α: 90°
• β: 97.542 ± 0.019°
• γ: 90°
• Cell volume: 4454 ± 10 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No