Information card for entry 7025062

Structure parameters

• Formula: C12 H41 B18 Co I N O2
• Calculated formula: C12 H41 B18 Co I N O2
• SMILES: ICCOCCO[B]1234[Co]56789%10%11([CH]%12%13%14[CH]%15%165[BH]5%17%14[BH]%14%18%13[BH]%137%12[BH]7%12%11[BH]%119%15[BH]9%16%17[BH]%155%18[BH]%14%137[BH]%12%119%15)[CH]579[CH]%11%126[BH]6%139[BH]9%147[BH]185[BH]139[BH]36%14[BH]5%12%13[BH]2%10%11[BH]4135.[N+](C)(C)(C)C
• Title of publication: A convenient synthetic route to useful monobranched polyethoxylated halogen terminated [3,3-Co(1,2-C(2)B(9)H(11))(2)](-) synthons.
• Authors of publication: Farràs, Pau; Teixidor, Francesc; Sillanpää, Reijo; Viñas, Clara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 1716 - 1718
• a: 13.3105 ± 0.0002 Å
• b: 13.7168 ± 0.0003 Å
• c: 15.1793 ± 0.0004 Å
• α: 90°
• β: 90.29 ± 0.002°
• γ: 90°
• Cell volume: 2771.36 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0539
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No