Information card for entry 7242186

Structure parameters

• Formula: C22 H16 Fe N6 S2
• Calculated formula: C22 H16 Fe N6 S2
• Title of publication: Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine
• Authors of publication: Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 15
• Pages of publication: 4909
• a: 8.6506 ± 0.0003 Å
• b: 9.2253 ± 0.0003 Å
• c: 14.1506 ± 0.0004 Å
• α: 90°
• β: 94.43 ± 0.002°
• γ: 90°
• Cell volume: 1125.91 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No