Information card for entry 4348960

Structure parameters

• Chemical name: Poly{[bis(mu4-5-cyanoisophthalato-k2O,O':kO':kO'':kO''') (mu4-5-cyanoisophthalato-kO:kO':kO'':kO''') tetradimethylformamidetricobalt(II)]bis(dimethylformamide)}
• Formula: C45 H51 Co3 N9 O18
• Calculated formula: C39 H37 Co3 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: 9.466 ± 0.007 Å
• b: 24.358 ± 0.018 Å
• c: 22.393 ± 0.016 Å
• α: 90°
• β: 91.74 ± 0.008°
• γ: 90°
• Cell volume: 5161 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No