Information card for entry 7007688

Structure parameters

• Formula: C36 H62 B20 Cl4 Co2 N2 S4
• Calculated formula: C36 H62 B20 Cl4 Co2 N2 S4
• SMILES: c1[n](ccc(c1)c1cc[n](cc1)[Co]12345([c]6([c]1([c]3([c]4([c]56C)C)C)C)C)S[C]1345[BH]678[BH]9%101[BH]1%113[BH]3%124[C]458([BH]586[BH]679[BH]7%101[BH]1%113[BH]%1245[BH]8671)S2)[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[C]348([BH]486[BH]679[BH]7%101[BH]1%112[BH]%1234[BH]8671)S5.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: 10.062 ± 0.008 Å
• b: 11.19 ± 0.009 Å
• c: 13.775 ± 0.011 Å
• α: 100.182 ± 0.011°
• β: 108.453 ± 0.01°
• γ: 96.283 ± 0.011°
• Cell volume: 1425 ± 2 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: 0.0712
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No