Information card for entry 7028734

Structure parameters

• Formula: C32 H49 Cl Cu4 N16 O24
• Calculated formula: C32 H16 Cl Cu4 N16 O12
• Title of publication: A porous sodalite-type MOF based on tetrazolcarboxylate ligands and [Cu4Cl](7+) squares with open metal sites for gas sorption.
• Authors of publication: Wang, Dongmei; Zhao, Tingting; Li, Guanghua; Huo, Qisheng; Liu, Yunling
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 6
• Pages of publication: 2365 - 2368
• a: 20.208 ± 0.002 Å
• b: 20.208 ± 0.002 Å
• c: 20.208 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8252.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.2151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No