Information card for entry 4076332

Structure parameters

• Formula: C6 H25 B18 Co O
• Calculated formula: C6 H25 B18 Co O
• SMILES: [Co]123456789[CH]%10%11%12[CH]%13%141[BH]1%15%16[BH]%17%11%13[BH]%11%13%15[BH]%15%18%19[BH]2%10([B]24%15([BH]3%141[BH]%16%13%192)[O](C[B]1239[BH]497[CH]7%105[CH]5%136[BH]6%14%10[BH]%1047[BH]429[BH]26%10[BH]6%13%14[BH]815[BH]3426)C)[BH]%12%17%11%18
• Title of publication: The Zwitterion [8,8′-μ-CH2O(CH3)-(1,2-C2B9H10)2-3,3′-Co]0as a Versatile Building Block To Introduce Cobalt Bis(Dicarbollide) Ion into Organic Molecules
• Authors of publication: Plešek, Jaromír; Grüner, Bohumír; Šícha, Václav; Bőhmer, Volker; Císařová, Ivana
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1703
• a: 15.0183 ± 0.0001 Å
• b: 10.4278 ± 0.0001 Å
• c: 35.8282 ± 0.0003 Å
• α: 90°
• β: 101.38 ± 0.0005°
• γ: 90°
• Cell volume: 5500.68 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No