Information card for entry 7212811

Structure parameters

• Formula: C26 H28 Fe N6 O3 S2
• Calculated formula: C26 H16 Fe N6 O3 S2
• Title of publication: The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network
• Authors of publication: Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3547
• a: 16.049 ± 0.002 Å
• b: 16.613 ± 0.003 Å
• c: 12.5984 ± 0.0018 Å
• α: 90°
• β: 120.581 ± 0.004°
• γ: 90°
• Cell volume: 2891.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0574
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No