Information card for entry 7212750

Structure parameters

• Formula: C140 H106 Cl4 Co F12 N30 P2
• Calculated formula: C140 H106 Cl4 Co F12 N30 P2
• Title of publication: Di[2,6-bis(5-phenylpyrazol-3-yl)pyridine]Co(II): an old coordination mode for a novel supramolecular assembly
• Authors of publication: Scicluna, Todd R.; Fraser, Benjamin H.; Gorham, Nicole T.; MacLellan, Jonathan G.; Massi, Massimiliano; Skelton, Brian W.; St Pierre, Timothy G.; Woodward, Robert C.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3422
• a: 26.0796 ± 0.0003 Å
• b: 26.0796 ± 0.0003 Å
• c: 17.9843 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12231.9 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.151
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2372
• Weighted residual factors for all reflections included in the refinement: 0.2916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No