Information card for entry 1540686

Structure parameters

• Formula: C74 H64 Co N14 S2
• Calculated formula: C42 H24 Co N6 S2
• Title of publication: Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework
• Authors of publication: Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 2286
• a: 11.653 ± 0.004 Å
• b: 13.567 ± 0.006 Å
• c: 13.662 ± 0.006 Å
• α: 94.5 ± 0.02°
• β: 94.78 ± 0.02°
• γ: 111.12 ± 0.02°
• Cell volume: 1994.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2098
• Residual factor for significantly intense reflections: 0.1702
• Weighted residual factors for significantly intense reflections: 0.383
• Weighted residual factors for all reflections included in the refinement: 0.4078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No