Information card for entry 7242190

Structure parameters

• Formula: C24 H18 Br6 Fe N6 Se2
• Calculated formula: C24 H18 Br6 Fe N6 Se2
• 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: 16.7183 ± 0.001 Å
• b: 11.0655 ± 0.0006 Å
• c: 11.7733 ± 0.0007 Å
• α: 90°
• β: 127.456 ± 0.002°
• γ: 90°
• Cell volume: 1728.96 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No