Information card for entry 7033979

Structure parameters

• Formula: C20 H20 Cu5 N6 O14
• Calculated formula: C20 H20 Cu5 N6 O14
• Title of publication: Triazolate-based 3D frameworks and a 2D layer with centrosymmetric Cu(II)7, Cu(II)5, Cu(II)4 clusters and tunable interlayer/interchain compactness: hydrothermal syntheses, crystal structures and magnetic properties.
• Authors of publication: Zhang, Yuan-Yuan; Zhao, Hong; Yang, En-Cui; Liu, Zhong-Yi; Shang, Qiu; Zhao, Xiao-Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5826 - 5836
• a: 8.387 ± 0.0006 Å
• b: 8.4427 ± 0.0007 Å
• c: 10.0939 ± 0.0008 Å
• α: 113.94 ± 0.001°
• β: 94.123 ± 0.001°
• γ: 95.509 ± 0.001°
• Cell volume: 645.39 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0243
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No