Information card for entry 2232171

Structure parameters

• Chemical name: <i>catena</i>-Poly[(<i>E</i>)-4,4'-(ethane-1,2-diyl)dipyridinium [[bis(thiocyanato-κ<i>N</i>)ferrate(II)]-di-μ-thiocyanato- κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]]
• Formula: C16 H14 Fe N6 S4
• Calculated formula: C16 H14 Fe N6 S4
• SMILES: [Fe]1(N=C=S)(N=C=S)(SC#[N][Fe](SC#[N]1)(N=C=S)(N=C=S))(N=C=S)SC#[N].[nH+]1ccc(cc1)CCc1cc[nH+]cc1.[nH+]1ccc(cc1)CCc1cc[nH+]cc1
• Title of publication: <i>catena</i>-Poly[(<i>E</i>)-4,4'-(ethane-1,2-diyl)dipyridinium [[bis(thiocyanato-κ<i>N</i>)ferrate(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]]
• Authors of publication: Wöhlert, Susanne; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1503
• a: 5.6818 ± 0.0003 Å
• b: 9.0957 ± 0.0006 Å
• c: 10.9259 ± 0.0007 Å
• α: 105.586 ± 0.005°
• β: 103.633 ± 0.005°
• γ: 101.383 ± 0.005°
• Cell volume: 507.65 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes