Information card for entry 7242189

Structure parameters

• Formula: C24 H18 Cl6 Fe N6 Se2
• Calculated formula: C24 H18 Cl6 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: 9.8578 ± 0.0013 Å
• b: 12.8582 ± 0.0015 Å
• c: 13.1284 ± 0.0016 Å
• α: 90°
• β: 96.601 ± 0.006°
• γ: 90°
• Cell volume: 1653 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No