Information card for entry 7717800

Structure parameters

• Common name: heterobimetallic cryptate (no solvent present)
• Chemical name: [Zn(II)Cu(I)Li](BF4)3
• Formula: C30 H36 B3 Cu F12 N14 Zn
• Calculated formula: C30 H36 B3 Cu F12 N14 Zn
• Title of publication: Testing mixed metal bimetallic, and monometallic, cryptates for electrocatalytic hydrogen evolution.
• Authors of publication: Singh, Varinder; Robb, Matthew G.; Brooker, Sally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 3165 - 3173
• a: 14.2639 ± 0.0004 Å
• b: 14.9629 ± 0.0003 Å
• c: 18.6926 ± 0.0006 Å
• α: 90°
• β: 109.36 ± 0.004°
• γ: 90°
• Cell volume: 3764 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No