Information card for entry 7000229

Structure parameters

• Formula: C21 H39 B9 Ir O Ru S2
• Calculated formula: C21 H39 B9 Ir O Ru S2
• SMILES: [Ir]123456([Ru]789%10%11([S]1[C]1%12%13[BH]%14%15%16[BH]%17%18%19[B]%201%14([O]8C)[BH]18%17[BH]%14%17%18[BH]%18%15%19[BH]%15%17([H][BH]1%14%15[C]%13%208[S]27)[BH]%12%16%18)[CH]1=[CH]9CC[CH]%10=[CH]%11CC1)[c]1([c]3([c]4([c]5([c]61C)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: 10.219 ± 0.009 Å
• b: 15.734 ± 0.014 Å
• c: 18.237 ± 0.016 Å
• α: 90°
• β: 90.603 ± 0.013°
• γ: 90°
• Cell volume: 2932 ± 4 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: 0.0977
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2084
• Weighted residual factors for all reflections included in the refinement: 0.2286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No