Information card for entry 4075700

Structure parameters

• Formula: C17 H25 B10 Co2 Ir O5 S2
• Calculated formula: C17 H25 B10 Co2 Ir O5 S2
• SMILES: [Ir]1234567([Co]89([Co]1([S]3[C]13%10%11[C]%12%13%14([S]28)[BH]281[BH]1%15%12[BH]%12%16%13[BH]%133%14[BH]3%14%16[BH]%16%15%12[BH]%1281[BH]1%102[BH]%11%133[BH]%14%16%121)(C9=O)(C#[O])C#[O])(C#[O])C#[O])[c]1([c]4([c]5([c]6([c]71C)C)C)C)C
• Title of publication: Synthesis and Structure of Heterometallic Clusters (IrCo2, IrFe) Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalocogenolato Ligands
• Authors of publication: Wang, Jian-Qiang; Hou, Xiufeng; Weng, Linhong; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 5
• Pages of publication: 826
• a: 10.146 ± 0.003 Å
• b: 15.736 ± 0.005 Å
• c: 34.459 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5502 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No