Information card for entry 7012533

Structure parameters

• Formula: C12 H33 B18 Co K N O2
• Calculated formula: C12 H33 B18 Co K N O2
• SMILES: [Co]12345678([CH]9%10%11[CH]%12%131[BH]1%14%11[BH]%11%15%10[BH]%1029[B]294([O]4[K][O](CC4)CCn4cccc4)[BH]43%12[BH]3%13%14[BH]%121%15[BH]%11%102[BH]943%12)[C]123[C]495[BH]5%103[BH]3%112[BH]261[BH]168[BH]874[BH]49%10[BH]75%11[BH]321[BH]6847
• Title of publication: The [3,3'-Co(1,2-C2B9H11)2]‒ anion as a platform for new materials: synthesis of its functionalized monosubstituted derivatives incorporating synthons for conducting organic polymers
• Authors of publication: Llop, Jordi; Masalles, Carlos; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 556
• a: 15.305 ± 0.003 Å
• b: 12.316 ± 0.002 Å
• c: 13.848 ± 0.003 Å
• α: 90°
• β: 99.31 ± 0.03°
• γ: 90°
• Cell volume: 2575.9 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• 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: 0.1411
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No