Information card for entry 7044947

Structure parameters

• Formula: C56 H46 Cd Cl4 N8 O6 S2
• Calculated formula: C56 H46 Cd Cl4 N8 O6 S2
• Title of publication: cis- and trans-9,10-di(1H-imidazol-1-yl)-anthracene based coordination polymers of Zn^II and Cd^II: synthesis, crystal structures and luminescence properties.
• Authors of publication: Vasylevskyi, Serhii I.; Regeta, Khrystyna; Ruggi, Albert; Petoud, Stéphane; Piguet, Claude; Fromm, Katharina M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 2
• Pages of publication: 596 - 607
• a: 9.2922 ± 0.0009 Å
• b: 22.5731 ± 0.0013 Å
• c: 13.4673 ± 0.0012 Å
• α: 90°
• β: 93.281 ± 0.007°
• γ: 90°
• Cell volume: 2820.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No