Information card for entry 4311843

Structure parameters

• Formula: C44 H33 Cd2 Cl0 N6 O15
• Calculated formula: C44 H33 Cd2 N6 O15
• 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: 10.347 ± 0.004 Å
• b: 10.39 ± 0.004 Å
• c: 21.833 ± 0.008 Å
• α: 77.937 ± 0.005°
• β: 88.261 ± 0.005°
• γ: 72.257 ± 0.005°
• Cell volume: 2184.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No