Information card for entry 7717799

Structure parameters

• Common name: heterobimetallic cryptate with solvent of crystallisation
• Chemical name: [Zn(II)Cu(I)Li](BF4)3 0.5MeCN 0.5H2O
• Formula: C62 H77 B6 Cu2 F24 N29 O Zn2
• Calculated formula: C62 H77 B6 Cu2 F24 N29 O Zn2
• 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: 12.4476 ± 0.0001 Å
• b: 26.5877 ± 0.0002 Å
• c: 24.0965 ± 0.0002 Å
• α: 90°
• β: 96.25 ± 0.001°
• γ: 90°
• Cell volume: 7927.41 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0913
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No