Information card for entry 4504268

Structure parameters

• Formula: C8 H5 Cd N2 O2
• Calculated formula: C8 H5 Cd N2 O5
• Title of publication: Assemblies of Two New Metal−Organic Frameworks Constructed from Cd(II) with 2,2‘-Bipyrimidine and Cyclic Oxocarbon Dianions CnOn2-(n= 4, 5)
• Authors of publication: Wang, Chih-Chieh; Kuo, Chen-Tsung; Yang, Jing-Chun; Lee, Gene-Hsiang; Shih, Wei-Ju; Sheu, Hwo-Shuenn
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 1476
• a: 7.5532 ± 0.0006 Å
• b: 7.642 ± 0.0006 Å
• c: 8.4674 ± 0.0007 Å
• α: 71.386 ± 0.001°
• β: 73.065 ± 0.001°
• γ: 74.956 ± 0.001°
• Cell volume: 435.56 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0195
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No