Information card for entry 7002826

Structure parameters

• Formula: C21 H13 Cu2 N5 O7
• Calculated formula: C21 H13 Cu2 N5 O7
• Title of publication: Reactivity of 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole, structures and magnetic properties of polynuclear and polymeric Mn(ii), Cu(ii) and Cd(ii) complexes
• Authors of publication: Meng, Zhao-Sha; Yun, Lei; Zhang, Wei-Xiong; Hong, Chao-Gang; Herchel, Radovan; Ou, Yong-Cong; Leng, Ji-Dong; Peng, Meng-Xia; Lin, Zhuo-Jia; Tong, Ming-Liang
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 46
• Pages of publication: 10284 - 10295
• a: 10.3117 ± 0.0018 Å
• b: 12.848 ± 0.002 Å
• c: 15.824 ± 0.003 Å
• α: 90°
• β: 104.618 ± 0.004°
• γ: 90°
• Cell volume: 2028.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No