Information card for entry 7204860

Structure parameters

• Formula: C14 H22 Cu N4 O8 S
• Calculated formula: C14 H22 Cu N4 O8 S
• Title of publication: Supramolecular isomers in the same crystal: a new case involving two different types of layers polycatenated in the 3D architecture of [Cu(bix)2(SO4)]�7.5H2O [bix = 1,4-bis(imidazol-1-ylmethyl)benzene]
• Authors of publication: Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Spadacini, Laura
• Journal of publication: CrystEngComm
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 20
• Pages of publication: 96
• a: 7.96 ± 0.005 Å
• b: 10.122 ± 0.005 Å
• c: 12.782 ± 0.005 Å
• α: 67.234 ± 0.005°
• β: 84.407 ± 0.005°
• γ: 80.782 ± 0.005°
• Cell volume: 936.7 ± 0.8 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: 0.0371
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.0884
• Goodness-of-fit parameter for all reflections: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No