Information card for entry 4517052

Structure parameters

• Formula: C16 H34 B20 Cl2 Co N2 O2
• Calculated formula: C16 H34 B20 Cl2 Co N2 O2
• SMILES: Cl[Co]([n]1cccc([C@H]([C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[CH]458[BH]586[BH]679[BH]7%102[BH]2%113[BH]%1245[BH]8672)O)c1)([n]1cccc([C@H]([C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[CH]458[BH]586[BH]679[BH]7%102[BH]2%113[BH]%1245[BH]8672)O)c1)Cl.Cl[Co]([n]1cccc([C@@H]([C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[CH]458[BH]586[BH]679[BH]7%102[BH]2%113[BH]%1245[BH]8672)O)c1)([n]1cccc([C@@H]([C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[CH]458[BH]586[BH]679[BH]7%102[BH]2%113[BH]%1245[BH]8672)O)c1)Cl
• 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: 21.4535 ± 0.0006 Å
• b: 12.1851 ± 0.0003 Å
• c: 12.9133 ± 0.0004 Å
• α: 90°
• β: 112.726 ± 0.0014°
• γ: 90°
• Cell volume: 3113.63 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.2217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No