Information card for entry 4348956

Structure parameters

• Chemical name: Poly{[di(mu-aqua)bis(mu3-5-cyanoisophthalato-kO:kO':kO'') bis(mu3-hydroxido)tricopper(II)]}
• Formula: C18 H12 Cu3 N2 O12
• Calculated formula: C18 H12 Cu3 N2 O12
• 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: 5.7384 ± 0.0005 Å
• b: 9.5708 ± 0.0009 Å
• c: 10.0605 ± 0.0009 Å
• α: 65.924 ± 0.003°
• β: 81.885 ± 0.003°
• γ: 86.47 ± 0.003°
• Cell volume: 499.41 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No