Information card for entry 4311846

Structure parameters

• Formula: C99 H93 Cd4 N12 O16
• Calculated formula: C99 H93 Cd4 N12 O16
• 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 ± 0.005 Å
• b: 20.5 ± 0.009 Å
• c: 23.426 ± 0.01 Å
• α: 102.858 ± 0.007°
• β: 95.683 ± 0.007°
• γ: 103.896 ± 0.007°
• Cell volume: 4641 ± 4 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: 0.1156
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No