Information card for entry 7242188

Structure parameters

• Formula: C24 H18 Br6 Fe N6 S2
• Calculated formula: C24 H18 Br6 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: 17.1155 ± 0.0003 Å
• b: 10.4757 ± 0.0002 Å
• c: 18.5942 ± 0.0003 Å
• α: 90°
• β: 98.979 ± 0.001°
• γ: 90°
• Cell volume: 3293.03 ± 0.1 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: 0.0588
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No