Information card for entry 7133576

Structure parameters

• Formula: C17 H19 B Cu N6 O2 S
• Calculated formula: C17 H19 B Cu N6 O2 S
• Title of publication: Enhancing CO₂ electroreduction to ethylene <i>via</i> microenvironment regulation in boron-imidazolate frameworks.
• Authors of publication: Lu, Chen; Hong, Qin-Long; Zhang, Hai-Xia; Zhang, Jian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 74
• Pages of publication: 10204 - 10207
• a: 17.1231 ± 0.0003 Å
• b: 8.8768 ± 0.0002 Å
• c: 13.2163 ± 0.0003 Å
• α: 90°
• β: 92.837 ± 0.002°
• γ: 90°
• Cell volume: 2006.39 ± 0.07 ų
• Cell temperature: 298.69 ± 0.1 K
• Ambient diffraction temperature: 298.69 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No