Information card for entry 4126406

Structure parameters

• Formula: C4.5 H1.5 Cl0.75 Cu0.75 N2.25 O0.75
• Calculated formula: C4.5 H1.5 Cl0.75 Cu0.75 N2.25 O0.75
• Title of publication: Single-Ion Li(+), Na(+), and Mg(2+) Solid Electrolytes Supported by a Mesoporous Anionic Cu-Azolate Metal-Organic Framework.
• Authors of publication: Park, Sarah S.; Tulchinsky, Yuri; Dincă, Mircea
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 38.819 ± 0.004 Å
• b: 38.819 ± 0.004 Å
• c: 7.7932 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10170 ± 2 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 6
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 0.699
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No