Information card for entry 7201594

Structure parameters

• Formula: C20 H19 Cd N6 O6.5
• Calculated formula: C20 H18 Cd N6 O6.5
• 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: 7.3188 ± 0.0006 Å
• b: 10.3043 ± 0.0008 Å
• c: 14.2348 ± 0.0011 Å
• α: 104.88 ± 0.001°
• β: 92.569 ± 0.001°
• γ: 92.138 ± 0.002°
• Cell volume: 1035.15 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0212
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No