Information card for entry 4501612

Structure parameters

• Formula: C12 H10 Cu3 N2 O10
• Calculated formula: C12 H10 Cu3 N2 O10
• Title of publication: A Novel 3D Porous Cu(II)-Based Metal−Organic Framework Built from H4hbpdc Ligand: Synthesis, Structure, and Magnetic Characterization (H4hbpdc = 3,3′-Dihydroxy-2,2′-bipyridine-6,6′-dicarboxylic)
• Authors of publication: Ji, Bao-Ming; Deng, Dong-Sheng; Lan, Hong-Hong; Du, Chen-Xia; Pan, Shi-Lie; Liu, Bin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 2851
• a: 16.892 ± 0.003 Å
• b: 15.722 ± 0.002 Å
• c: 5.8595 ± 0.0009 Å
• α: 90°
• β: 106.112 ± 0.002°
• γ: 90°
• Cell volume: 1495 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No