Information card for entry 4311845

Structure parameters

• Formula: C20.25 H18.25 Cd N3 O5
• Calculated formula: C20.25 H14 Cd N3 O5
• Title of publication: Novel Eclipsed 2D Cadmium(II) Coordination Polymers with Open-Channel Structure Constructed from Terephthalate and 3-(2-Pyridyl)pyrazole: Crystal Structures, Emission Properties, and Inclusion of Guest Molecules
• Authors of publication: Ru-Qiang Zou; Xian-He Bu; Ruo-Hua Zhang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5382 - 5386
• a: 10.325 ± 0.003 Å
• b: 10.372 ± 0.003 Å
• c: 12.344 ± 0.003 Å
• α: 67.148 ± 0.004°
• β: 72.038 ± 0.004°
• γ: 74.932 ± 0.005°
• Cell volume: 1143.9 ± 0.5 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: 0.0919
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No