Information card for entry 7247833

Structure parameters

• Formula: C27 H18 Cu N4 O9
• Calculated formula: C27 H18 Cu N4 O9
• Title of publication: Fabrication of two 5-R-isophthalic acid-modulated Cu-based coordination polymers as urease inhibitors
• Authors of publication: Duan, Wen-Long; Yan, Ming-Yue; Yan, Feng; Luan, Jian
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 324 - 333
• a: 5.1004 ± 0.0007 Å
• b: 20.907 ± 0.003 Å
• c: 21.437 ± 0.003 Å
• α: 90°
• β: 94.484 ± 0.004°
• γ: 90°
• Cell volume: 2278.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.157
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.2602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No