Information card for entry 7007832

Structure parameters

• Formula: C57 H72 B20 Cl6 Co2 O P2 S4
• Calculated formula: C57 H72 B20 Cl6 Co2 O P2 S4
• SMILES: [Co]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)(S[C]6789[BH]%10%11%12[BH]%13%146[BH]6%157[BH]7%168[BH]8%17%18[BH]%19%10([BH]%10%11%13[BH]%11%146[BH]%1578[BH]%17%19%10%11)[C]9%12%16%18S1)[cH]1[cH]2[cH]3[cH]4[c]51CCOCC[c]12[cH]3[Co]4561([P](c1ccccc1)(c1ccccc1)c1ccccc1)(S[C]1789[BH]%10%11%12[BH]%13%141[BH]1%157[BH]7%168[BH]8%17%18[BH]%19%10([BH]%10%11%13[BH]%11%141[BH]%1578[BH]%17%19%10%11)[C]9%12%16%18S4)[cH]2[cH]5[cH]36.ClCCl.ClCCl.ClCCl
• Title of publication: Binuclear half-sandwich cobalt(III) and rhodium(III) ortho-carboranedichalocogenolato complexes with ether chain-bridged bis(cyclopentadienyl) ligand.
• Authors of publication: Hou, Xiu-Feng; Liu, Shu; Wang, Hui; Chen, Yin-Qiang; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 44
• Pages of publication: 5231 - 5239
• a: 11.826 ± 0.004 Å
• b: 18.124 ± 0.006 Å
• c: 33.307 ± 0.011 Å
• α: 90°
• β: 90.714 ± 0.006°
• γ: 90°
• Cell volume: 7138 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.2023
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.2468
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No