Information card for entry 7706042

Structure parameters

• Formula: C9 H10 B Cu N6
• Calculated formula: C9 H10 B Cu N6
• Title of publication: A Cu(I) based boron imidazolate framework for visible light driven CO₂ reduction.
• Authors of publication: Wan, Yu-Mei; Zhang, Hai-Xia; Zhang, Jian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 490 - 493
• a: 8.014 ± 0.006 Å
• b: 14.104 ± 0.01 Å
• c: 10.095 ± 0.008 Å
• α: 90°
• β: 94.207 ± 0.011°
• γ: 90°
• Cell volume: 1138 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No