Information card for entry 7002335

Structure parameters

• Chemical name: poly[bis(μ2-thiocyanato-N,S)-(μ2-4,4'-bipyridine-N,N')-iron(II)]
• Formula: C12 H8 Fe N4 S2
• Calculated formula: C12 H8 Fe N4 S2
• Title of publication: Coordination polymer changing its magnetic properties and colour by thermal decomposition: synthesis, structure and properties of new thiocyanato iron(ii) coordination polymers based on 4,4'-bipyridine as ligand
• Authors of publication: Wriedt, Mario; Sellmer, Sina; Näther, Christian
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 38
• Pages of publication: 7975 - 7984
• a: 11.1738 ± 0.001 Å
• b: 11.5606 ± 0.0012 Å
• c: 11.4572 ± 0.001 Å
• α: 90°
• β: 112.087 ± 0.009°
• γ: 90°
• Cell volume: 1371.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.044
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No