Information card for entry 7204667

Structure parameters

• Formula: C12 H8 Cd N2 O4 S
• Calculated formula: C12 H8 Cd N2 O4 S
• Title of publication: New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis
• Authors of publication: Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 34
• Pages of publication: 190
• a: 6.8307 ± 0.001 Å
• b: 6.8307 ± 0.001 Å
• c: 14.404 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 672.07 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for all reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0479
• Goodness-of-fit parameter for all reflections: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No