Information card for entry 4516288

Structure parameters

• Formula: C26 H16 N8 Ni S2
• Calculated formula: C26 H16 N8 Ni S2
• Title of publication: Ferromagnetic Coupling Through the End-to-End Thiocyanate Bridge in Cobalt(II) and Nickel(II) Chains
• Authors of publication: Palion-Gazda, Joanna; Machura, Barbara; Lloret, Francesc; Julve, Miguel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 2380
• a: 15.6066 ± 0.001 Å
• b: 10.2064 ± 0.0005 Å
• c: 16.1781 ± 0.0012 Å
• α: 90°
• β: 102.902 ± 0.007°
• γ: 90°
• Cell volume: 2511.9 ± 0.3 ų
• Cell temperature: 293 ± 0.2 K
• Ambient diffraction temperature: 293 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.067
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No