Information card for entry 7201593

Structure parameters

• Formula: C21 H18 Cu N6 O8
• Calculated formula: C21 H18 Cu N6 O8
• Title of publication: R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole
• Authors of publication: Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 306
• a: 7.685 ± 0.006 Å
• b: 14.817 ± 0.012 Å
• c: 18.713 ± 0.015 Å
• α: 90°
• β: 93.509 ± 0.012°
• γ: 90°
• Cell volume: 2127 ± 3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No