Information card for entry 4517051

Structure parameters

• Formula: C18 H42 B20 Cl2 Co N2 O4
• Calculated formula: C18 H42 B20 Cl2 Co N2 O4
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[C]379([CH]34%11[BH]471[BH]125[BH]268[BH]5%10%12[BH]%1334[BH]7125)[C@H]1c2cccc[n]2[Co]2([OH]1)(Cl)([n]1c([C@H]([C]3456[BH]789[BH]%10%113[BH]3%124[BH]4%135[CH]569[BH]697[BH]78%10[BH]8%113[BH]3%124[BH]%1356[BH]9783)[OH]2)cccc1)Cl.CO.CO.[BH]1234[BH]567[BH]89%10[BH]%11%12%13[C]379([CH]34%11[BH]471[BH]125[BH]268[BH]5%10%12[BH]%1334[BH]7125)[C@@H]1c2cccc[n]2[Co]2([OH]1)(Cl)([n]1c([C@@H]([C]3456[BH]789[BH]%10%113[BH]3%124[BH]4%135[CH]569[BH]697[BH]78%10[BH]8%113[BH]3%124[BH]%1356[BH]9783)[OH]2)cccc1)Cl.CO.CO
• Title of publication: Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes
• Authors of publication: Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 5720
• a: 18.545 ± 0.004 Å
• b: 13.04 ± 0.003 Å
• c: 14.563 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3521.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No