Information card for entry 4517057

Structure parameters

• Formula: C16 H32 B20 Co N2 O2
• Calculated formula: C16 H32 B20 Co N2 O2
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%10[BH]%1068[BH]625[BH]251[CH]4%12([C]379%11[C@H]1O[Co]3([n]4c1cccc4)[n]1c([C@H]([C]4789[BH]%11%12%16[BH]%17%184[BH]4%197[BH]7%208[BH]8%21%19[BH]%19%184[BH]4%12%17[BH]%12%17%11[CH]9%167[BH]%208%12[BH]%21%194%17)O3)cccc1)[BH]%13%142[BH]%15%1065
• 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: 10.9367 ± 0.0002 Å
• b: 10.1603 ± 0.0002 Å
• c: 13.3471 ± 0.0003 Å
• α: 90°
• β: 111.161 ± 0.001°
• γ: 90°
• Cell volume: 1383.12 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No