Information card for entry 4348948

Structure parameters

• Chemical name: Poly{[(mu4-5-cyanoisophthalato-kO:kO':kO'':kO''') bis(mu3-5-cyanoisophthalato-kO:kO':k2O'',O''') tetrakis(dimethylformamide)didysprosium(III)]dimethylformamide hydrate}
• Formula: C42 H46 Dy2 N8 O18
• Calculated formula: C39 H37 Dy2 N7 O16
• Title of publication: Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.
• Authors of publication: Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 11230 - 11248
• a: 12.807 ± 0.0008 Å
• b: 12.807 ± 0.0008 Å
• c: 59.467 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9753.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No