Information card for entry 7700345

Structure parameters

• Formula: C7 H4 Cu N6 O2
• Calculated formula: C7 H4 Cu N6 O2
• Title of publication: Solvent-induced single-crystal-to-single-crystal transformation and tunable magnetic properties of 1D azido-Cu(ii) chains with a carboxylate bridge.
• Authors of publication: Liu, Xiangyu; Ma, Xiufang; Yang, Jinhui; Luo, Shuchang; Wang, Zheng; Ferrando-Soria, Jesús; Ma, Yulong; Shi, Quan; Pardo, Emilio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 11268 - 11277
• a: 6.905 ± 0.004 Å
• b: 7.141 ± 0.004 Å
• c: 9.596 ± 0.005 Å
• α: 100.558 ± 0.007°
• β: 97.836 ± 0.009°
• γ: 101.571 ± 0.009°
• Cell volume: 448.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No