Information card for entry 7234425

Structure parameters

• Common name: Co(pyterpy)2(PF6)2
• Chemical name: Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) hexafluorophosphate
• Formula: C40 H28 Co F12 N8 P2
• Calculated formula: C40 H28 Co F12 N8 P2
• Title of publication: Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions
• Authors of publication: Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 9292 - 9298
• a: 8.785 ± 0.002 Å
• b: 8.785 ± 0.002 Å
• c: 57.646 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4448.9 ± 1.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.3183
• Weighted residual factors for all reflections included in the refinement: 0.3402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.509
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No