Information card for entry 7007685

Structure parameters

• Formula: C30 H56 B20 Cl4 N2 Ru2 S4
• Calculated formula: C30 H56 B20 Cl4 N2 Ru2 S4
• SMILES: [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]123456([n]2cc[n](cc2)[Ru]234567([c]8([cH]2[cH]3[c]4([cH]5[cH]68)C)C(C)C)S[C]2345[BH]689[BH]%10%112[BH]2%123[BH]3%134[C]459([BH]596[BH]68%10[BH]8%112[BH]2%123[BH]%1345[BH]9682)S7)S[C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[C]458([BH]586[BH]679[BH]7%102[BH]2%113[BH]%1245[BH]8672)S1)C)C(C)C.C(Cl)Cl.C(Cl)Cl
• 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: 10.399 ± 0.005 Å
• b: 11.16 ± 0.005 Å
• c: 12.289 ± 0.006 Å
• α: 75.781 ± 0.006°
• β: 67.108 ± 0.006°
• γ: 76.583 ± 0.006°
• Cell volume: 1258.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No