Information card for entry 7033239

Structure parameters

• Formula: C3 H4.33 Cl0.33 Cu1.67 N12 O1.33
• Calculated formula: C3 H3 Cl0.33 Cu1.66667 N12 O1.33733
• Title of publication: Four tetrazolate-based 3D frameworks with diverse subunits directed by inorganic anions and azido coligand: hydro/solvothermal syntheses, crystal structures, and magnetic properties.
• Authors of publication: Hou, Zhao-Jun; Liu, Zhong-Yi; Liu, Ning; Yang, En-Cui; Zhao, Xiao-Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 5
• Pages of publication: 2223 - 2233
• a: 12.3275 ± 0.0003 Å
• b: 12.3275 ± 0.0003 Å
• c: 12.5415 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1650.56 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No