Information card for entry 4517058

Structure parameters

• Formula: C14 H20 B9 Co N2 O3
• Calculated formula: C14 H20 B9 Co N2 O3
• SMILES: [Co]123456(OC(=O)c7[n]1cccc7)[n]1c(C(O)[C]7892[CH]2%103[BH]3%119[BH]9%128[BH]847[BH]476[BH]652[BH]2%10%11[BH]53%12[BH]984[BH]7625)cccc1
• 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: 9.357 ± 0.005 Å
• b: 9.914 ± 0.005 Å
• c: 10.463 ± 0.005 Å
• α: 96.53 ± 0.007°
• β: 94.002 ± 0.007°
• γ: 103.836 ± 0.007°
• Cell volume: 931.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No