Information card for entry 4107742

Structure parameters

• Formula: C6 H10 Cu N3
• Calculated formula: C6 H10 Cu N3
• 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: 19.6891 ± 0.0008 Å
• b: 19.6891 ± 0.0008 Å
• c: 14.1971 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4766.3 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No