Information card for entry 7703052

Structure parameters

• Formula: C50 H34 Cu N6 O7
• Calculated formula: C50 H34 Cu N6 O7
• Title of publication: Substituent group-tunable hydrogen evolution activity observed in isostructural Cu(ii)-based coordination polymer photocatalysts.
• Authors of publication: Dai, Xue-Jiao; Wang, Jia-Jun; Li, Lei; Ding, Bo; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 1674 - 1680
• a: 7.1213 ± 0.0003 Å
• b: 10.9493 ± 0.0005 Å
• c: 13.8046 ± 0.0006 Å
• α: 81.707 ± 0.004°
• β: 88.055 ± 0.004°
• γ: 72.596 ± 0.004°
• Cell volume: 1016.32 ± 0.08 ų
• Cell temperature: 139.1 ± 0.3 K
• Ambient diffraction temperature: 139.1 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No