Information card for entry 7007689

Structure parameters

• Formula: C28 H54 B20 Co2 N2 S4
• Calculated formula: C28 H54 B20 Co2 N2 S4
• SMILES: c1[n]([Co]23456([c]7([c]2(C)[c]3([c]4([c]57C)C)C)C)S[C]2345[BH]789[BH]%10%11%12[BH]%13%14%15[BH]%162([BH]2%173[BH]347[BH]48%10[BH]7%11%13[BH]%14%162[BH]%17347)[C]59%12%15S6)cc[n](c1)[Co]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)S[C]1234[BH]678[BH]9%101[BH]1%112[BH]2%123[BH]3%13%14[BH]%156([BH]679[BH]7%101[BH]%1123[BH]%14%1567)[C]48%12%13S5
• Title of publication: Synthesis and characterization of binuclear half-sandwich metal (Co, Ir and Ru) complexes containing ancillary ortho-carborane-1,2-dithiolato ligands.
• Authors of publication: Liu, Shuang; Zhang, Jiasheng; Wang, Xin; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 44
• Pages of publication: 5225 - 5230
• a: 8.024 ± 0.003 Å
• b: 11.157 ± 0.004 Å
• c: 13.317 ± 0.004 Å
• α: 95.035 ± 0.005°
• β: 91.109 ± 0.005°
• γ: 110.409 ± 0.004°
• Cell volume: 1111.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.68
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No