Information card for entry 2230754

Structure parameters

• Chemical name: [μ-1,4-Bis(1,2,4-triazol-1-ylmethyl)benzene]bis[aqua(pyridine-2,6- dicarboxylato)copper(II)] monohydrate
• Formula: C26 H24 Cu2 N8 O11
• Calculated formula: C26 H24 Cu2 N8 O11
• Title of publication: [μ-1,4-Bis(1,2,4-triazol-1-ylmethyl)benzene]bis[aqua(pyridine-2,6-dicarboxylato)copper(II)] monohydrate
• Authors of publication: Dong, Gui-Ying; He, Cui-Hong; Tong-Fei, Liu; Deng, Xiao-Chen; Shi, Xiao-Ge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m944
• a: 4.9017 ± 0.0004 Å
• b: 10.3022 ± 0.0009 Å
• c: 30.178 ± 0.003 Å
• α: 90°
• β: 93.541 ± 0.001°
• γ: 90°
• Cell volume: 1521 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes