Information card for entry 7000228

Structure parameters

• Formula: C21 H39 B9 Cl2 Ir Ru S2
• Calculated formula: C21 H39 B9 Cl2 Ir Ru S2
• SMILES: [Ir]123456([Ru]79%10%11([S]1[C]1%12%13[BH]%14%15%16[BH]%17%18%19[BH]%201%14[BH]18%17[BH]%14%17%18[BH]%18%15%19[BH2]%17([BH]1%14[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.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: 11.088 ± 0.004 Å
• b: 15.594 ± 0.005 Å
• c: 18.032 ± 0.006 Å
• α: 90°
• β: 91.59 ± 0.005°
• γ: 90°
• Cell volume: 3116.6 ± 1.8 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: 0.0821
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No