Information card for entry 7114914

Structure parameters

• Formula: C10 H10 Cl5 Fe N2
• Calculated formula: C10 H10 Cl5 Fe N2
• SMILES: c1cc(c2cc[nH+]cc2)cc[nH+]1.Cl[Fe](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: Homologous families of chloride-rich 4,4′-bipyridinium salt structures
• Authors of publication: Dolling, Ben; Gillon, Amy L.; Orpen, A. Guy; Starbuck, Jonathan; Wang, Xi-Meng
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 567
• a: 16.651 ± 0.002 Å
• b: 11.6816 ± 0.0015 Å
• c: 7.2764 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1415.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 40
• Hermann-Mauguin space group symbol: A m a 2
• Hall space group symbol: A 2 -2a
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No