Information card for entry 4517053

Structure parameters

• Formula: C36 H62 B20 Cl2 Co N2 O6
• Calculated formula: C36 H62 B20 Cl2 Co N2 O6
• 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: 17.5338 ± 0.0007 Å
• b: 28.8699 ± 0.0013 Å
• c: 10.3153 ± 0.0005 Å
• α: 90°
• β: 101.881 ± 0.001°
• γ: 90°
• Cell volume: 5109.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1161
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No