Information card for entry 7007835

Structure parameters

• Formula: C56 H70 B20 Cl4 O P2 Rh2 Se4
• Calculated formula: C56 H70 B20 Cl4 O P2 Rh2 Se4
• SMILES: [Rh]12345([Se][C]6789[BH]%10%11%12[BH]%13%146[BH]6%157[BH]7%168[BH]8%17%15[BH]%15%146[BH]6%11%13[BH]%11%13%10[BH]78([BH]%17%156%11)[C]9%12%16%13[Se]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([cH]2[cH]3[cH]4[cH]51)CCOCC[c]12[cH]3[Rh]4561([Se][C]1789[BH]%10%11%12[BH]%13%141[BH]1%157[BH]7%168[BH]8%17%15[BH]%15%141[BH]1%11%13[BH]%11%13%10[BH]78([BH]%17%151%11)[C]9%12%16%13[Se]4)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[cH]2[cH]5[cH]36.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: 12.047 ± 0.003 Å
• b: 18.278 ± 0.005 Å
• c: 33.285 ± 0.009 Å
• α: 90°
• β: 90.573 ± 0.005°
• γ: 90°
• Cell volume: 7329 ± 3 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: 0.1553
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No