Information card for entry 7033978

Structure parameters

• Formula: C24 H22 Cu5 N12 O12
• Calculated formula: C24 H18 Cu5 N12 O12
• 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: 10.5526 ± 0.001 Å
• b: 10.8749 ± 0.001 Å
• c: 15.3643 ± 0.0014 Å
• α: 76.545 ± 0.002°
• β: 82.101 ± 0.002°
• γ: 79.927 ± 0.002°
• Cell volume: 1679.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0856
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No