Information card for entry 7234432

Structure parameters

• Common name: Co(pyterpy)2(TCNQ)2_DMF_MeOH
• Chemical name: Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) tetracyanoquinodimethane N,N-dimethyl formamide methanol
• Formula: C67.61 H43 Co N17 O1.25
• Calculated formula: C67.61 H43 Co N17 O1.249
• 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: 8.986 ± 0.004 Å
• b: 13.909 ± 0.006 Å
• c: 24.825 ± 0.011 Å
• α: 105.759 ± 0.006°
• β: 95.448 ± 0.006°
• γ: 94.088 ± 0.006°
• Cell volume: 2957 ± 2 ų
• Cell temperature: 300.15 K
• Ambient diffraction temperature: 300.15 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: 0.0871
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No