Information card for entry 7007833

Structure parameters

• Formula: C16 H26 B10 Co2 O S2
• Calculated formula: C16 H26 B10 Co2 O S2
• SMILES: [Co]1234567[Co]89%10%11%12([S]1[C]1%13%14%15[C]%16%17%18([S]28)[BH]281[BH]1%19%13[BH]%13%20%14[BH]%14%15%16[BH]%15%16%20[BH]%20%19%13[BH]%1381[BH]1%172[BH]%18%14%15[BH]%16%20%131)[c]1([cH]%12[cH]%11[cH]%10[cH]91)CCOCC[c]17[cH]6[cH]5[cH]4[cH]31
• 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: 12.239 ± 0.004 Å
• b: 12.155 ± 0.004 Å
• c: 18.23 ± 0.005 Å
• α: 90°
• β: 92.793 ± 0.005°
• γ: 90°
• Cell volume: 2708.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No