Information card for entry 1561556

Structure parameters

• Formula: C13 H7 Cd N O5
• Calculated formula: C13 H7 Cd N O5
• Title of publication: Configurations, band structures and photocurrent responses of 4-(4-oxopyridin-1(4H)-yl)phthalic acid and its metal-organic frameworks
• Authors of publication: Yan, Xingxiu; Qiu, Xiandeng; Yan, Zhishuo; Li, Hongjiang; Gong, Yun; Lin, Jianhua
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 237
• Pages of publication: 313 - 322
• a: 7.5226 ± 0.0005 Å
• b: 8.7212 ± 0.0006 Å
• c: 9.0959 ± 0.0007 Å
• α: 79.945 ± 0.001°
• β: 78.462 ± 0.001°
• γ: 82.405 ± 0.002°
• Cell volume: 572.77 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0396
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No