Information card for entry 4504206

Structure parameters

• Formula: C22 H28 N2 O6 S2 Zn
• Calculated formula: C22 H28 N2 O6 S2 Zn
• Title of publication: Cobalt(II), Copper(II), and Zinc(II) Framework Systems Derived from Ditopic Pyridyl-Acetylacetone and Pyridyl-Pyrazole Ligands
• Authors of publication: Won, Tae-Jin; Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 972
• a: 14.8219 ± 0.0006 Å
• b: 14.8219 ± 0.0006 Å
• c: 11.5312 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2533.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No