Information card for entry 7243108

Structure parameters

• Chemical name: (2,,6-dimethylpyrazine)CuBr2
• Formula: C6 H8 Br2 Cu N2
• Calculated formula: C6 H8 Br2 Cu N2
• Title of publication: Structure, phase transition and properties of the one-dimensional antiferromagnet Cu(2,6-dimethylpyrazine)Br2
• Authors of publication: Ding, Fei; Yang, Chuanlu; Gong, Xiangnan; Zheng, Hui; Zhou, Xiaoyu; Li, Lingli; Zhang, Lichun; Wang, Dehua; Pan, Bingying
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 37
• Pages of publication: 22565 - 22570
• a: 8.3552 ± 0.0009 Å
• b: 8.5782 ± 0.0011 Å
• c: 6.6959 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 479.91 ± 0.09 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No