Information card for entry 4107743

Structure parameters

• Formula: C24 H39 Cu3 N12
• Calculated formula: C24 H39 Cu3 N12
• Title of publication: Exceptional Framework Flexibility and Sorption Behavior of a Multifunctional Porous Cuprous Triazolate Framework
• Authors of publication: Jie-Peng Zhang; Xiao-Ming Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 6010 - 6017
• a: 11.949 ± 0.002 Å
• b: 12.263 ± 0.004 Å
• c: 13.213 ± 0.004 Å
• α: 108.677 ± 0.002°
• β: 108.348 ± 0.001°
• γ: 104.458 ± 0.003°
• Cell volume: 1603.2 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No