Information card for entry 4127133

Structure parameters

• Common name: [{Co(NPtBu3)}4][B(C6F5)4]
• Formula: C81.68 H114.45 B Co4 F23.23 N4 P4
• Calculated formula: C81.672 H114.448 B Co4 F23.224 N4 P4
• Title of publication: Large Anisotropy Barrier in a Tetranuclear Single-Molecule Magnet Featuring Low-Coordinate Cobalt Centers.
• Authors of publication: Chakarawet, Khetpakorn; Bunting, Philip C.; Long, Jeffrey R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 12.9197 ± 0.0007 Å
• b: 17.4852 ± 0.0009 Å
• c: 20.7494 ± 0.0011 Å
• α: 105.21 ± 0.003°
• β: 98.201 ± 0.003°
• γ: 90.612 ± 0.003°
• Cell volume: 4471.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No