Information card for entry 2238537

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)iron(II)]-bis(μ-dipyrazin-2-yl disulfide-κ^2^<i>N</i>^4^:<i>N</i>^4'^)]
• Formula: C18 H12 Fe N10 S6
• Calculated formula: C18 H12 Fe N10 S6
• SMILES: [Fe]1(N=C=S)(N=C=S)[n]2cc(ncc2)SSc2ncc[n](c2)[Fe](N=C=S)(N=C=S)([n]2cc(SSc3ncc[n]1c3)ncc2)([n]1cc(SSc2nccnc2)ncc1)[n]1cc(SSc2nccnc2)ncc1
• Title of publication: <i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)iron(II)]-bis(μ-dipyrazin-2-yl disulfide-κ^2^<i>N</i>^4^:<i>N</i>^4'^)]
• Authors of publication: Wöhlert, Susanne; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: m487
• a: 19.053 ± 0.001 Å
• b: 8.0559 ± 0.0005 Å
• c: 16.1952 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2485.8 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes