Information card for entry 7101998

Structure parameters

• Formula: C2 H2 Cu N6
• Calculated formula: C2 H2 Cu N6
• Title of publication: An azido-Cu(II)-triazolate complex with utp-type topological network, showing spin-canted antiferromagnetism.
• Authors of publication: Li, Jian-Rong; Yu, Qun; Sañudo, E Carolina; Tao, Ying; Bu, Xian-He
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 25
• Pages of publication: 2602 - 2604
• a: 6.7054 ± 0.0013 Å
• b: 9.0818 ± 0.0018 Å
• c: 8.1187 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 494.41 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No