Information card for entry 7004975

Structure parameters

• Formula: C14 H30 B20 Co2 Ni S4
• Calculated formula: C14 H30 B20 Co2 Ni S4
• SMILES: [Co]123456([Ni]789([Co]%10%11%12%13%14([S]8[C]8%15%16%17[C]%18%19%20([S]9%10)[BH]9%108[BH]8%21%15[BH]%15%22%16[BH]%16%17%18[BH]%17%18%22[BH]%22%21%15[BH]%15%108[BH]8%199[BH]%20%16%17[BH]%18%22%158)[cH]8[cH]%14[cH]%13[cH]%12[cH]%118)[S]1[C]189%10[C]%11%12%13([S]27)[BH]271[BH]1%148[BH]8%159[BH]9%10%11[BH]%10%11%15[BH]%15%148[BH]871[BH]1%122[BH]%139%10[BH]%11%1581)[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: Syntheses and structures of heterometallic clusters by the reaction of o-carboranyl cobaltadichalcogenolato complexes.
• Authors of publication: Chen, Yin-Qiang; Zhang, Jiasheng; Cai, Shuyi; Hou, Xiu-Feng; Schumann, Herbert; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 7
• Pages of publication: 749 - 758
• a: 11.295 ± 0.004 Å
• b: 36.04 ± 0.011 Å
• c: 15.458 ± 0.005 Å
• α: 90°
• β: 99.897 ± 0.006°
• γ: 90°
• Cell volume: 6199 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1844
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 0.706
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No