Information card for entry 7212809

Structure parameters

• Formula: C30 H36 Fe N6 O2 S2
• Calculated formula: C30 H36 Fe N6 O2 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: 11.5165 ± 0.0011 Å
• b: 11.4813 ± 0.0011 Å
• c: 13.1038 ± 0.0011 Å
• α: 90°
• β: 106.602 ± 0.005°
• γ: 90°
• Cell volume: 1660.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No