Information card for entry 7207722

Structure parameters

• Common name: catena{(mu2-aqua)-bis((4-pyridylthio)acetate)-cadmium(II)}
• Chemical name: catena{(mu2-aqua)-bis((4-pyridylthio)acetate)-cadmium(II)}
• Formula: C14 H14 Cd N2 O5 S2
• Calculated formula: C14 H14 Cd N2 O5 S2
• Title of publication: 1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties
• Authors of publication: Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 3750
• a: 21.709 ± 0.003 Å
• b: 6.593 ± 0.0003 Å
• c: 15.9532 ± 0.0019 Å
• α: 90°
• β: 133.85 ± 0.02°
• γ: 90°
• Cell volume: 1646.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0251
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No