Information card for entry 2243876

Structure parameters

• Chemical name: Bis[bis(6,6'-dimethyl-2,2'-bipyridine)copper(I)] hexafluoridozirconate(IV) 1.134-hydrate
• Formula: C48 H50.27 Cu2 F6 N8 O1.13 Zr
• Calculated formula: C48 H50.268 Cu2 F6 N8 O1.134 Zr
• Title of publication: Crystal structures of two copper(I)‒6,6'-dimethyl-2,2'-bipyridyl (dmbpy) compounds, [Cu(dmbpy)~2~]~2~[<i>M</i>F~6~]·<i>x</i>H~2~O (<i>M</i> = Zr, Hf; <i>x</i> = 1.134, 0.671)
• Authors of publication: Wang, Yiran; Nisbet, Matthew L.; Poeppelmeier, Kenneth R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 8
• Pages of publication: 819 - 823
• a: 8.6219 ± 0.0003 Å
• b: 10.8064 ± 0.0003 Å
• c: 12.9992 ± 0.0004 Å
• α: 103.078 ± 0.002°
• β: 104.013 ± 0.003°
• γ: 98.863 ± 0.002°
• Cell volume: 1116.33 ± 0.06 ų
• Cell temperature: 100.4 ± 0.8 K
• Ambient diffraction temperature: 100.4 ± 0.8 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: 0.0475
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes