Information card for entry 7240344

Structure parameters

• Formula: C12 H13 Cu2 N O11
• Calculated formula: C12 H13 Cu2 N O11
• Title of publication: Temperature-Induced Structural Transformations Accompanied by Changes in Magnetic Properties of Two Copper Coordination Polymers
• Authors of publication: Tu, Jing; Chen, Hongjuan; Tian, Hongju; Yu, Xiangyong; Zheng, Baishu; Zhang, Shaowei; Ma, Pengtao
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 7.514 ± 0.0004 Å
• b: 9.0832 ± 0.0005 Å
• c: 11.5882 ± 0.0007 Å
• α: 73.946 ± 0.002°
• β: 89.605 ± 0.002°
• γ: 87.875 ± 0.002°
• Cell volume: 759.54 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0506
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No