Information card for entry 7204668

Structure parameters

• Formula: C12 H18 Cu N2 O7 S
• Calculated formula: C12 H12 Cu N2 O7 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: 9.399 ± 0.003 Å
• b: 9.496 ± 0.003 Å
• c: 10.073 ± 0.004 Å
• α: 62.11 ± 0.02°
• β: 89.18 ± 0.02°
• γ: 73 ± 0.02°
• Cell volume: 751.9 ± 0.5 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: 0.0739
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections: 0.1312
• Weighted residual factors for significantly intense reflections: 0.1199
• Goodness-of-fit parameter for all reflections: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No